0 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [1,0,0,0,0,0|3,0,0]=4 1 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.2 OC1CCCN(C1)CF 269982a_100000211013_100015361967 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.15 CC1CCNCC1O[13CH3] 34a_100000696640_200025704644 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.15 CN1CCOC[C@H]1CO 2230a_100000717676_200000210301 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.15 CN1CCOC[C@H]1CO 269982a_100000717676_200000210301 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.15 CN1CCOC[C@H]1CO 34a_100000717676_200000210301 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.15 COC1CNCCC1C 34a_100000696640_200000210301 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.15 [13CH3]N1CCOC[C@H]1CO 2230a_100000717676_200025704644 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.15 [13CH3]N1CCOC[C@H]1CO 269982a_100000717676_200025704644 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.15 [13CH3]N1CCOC[C@H]1CO 34a_100000717676_200025704644 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [1,0,0,0,0,0|3,0,0]=4 34 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [0,0,1,0,0,0|1,0,2]=4 35 B9R0.46 C#CCCNCC(C)CO 34a_100000744482_100000688953 [0,0,1,0,0,0|2,0,1]=4 36 B9R0.46 C#CCCNCC(O)CC 2230a_100011218483_100000688953 [0,0,1,0,0,0|2,0,1]=4 37 B9R0.46 C#CCCNCC(O)CC 34a_100000755551_100011218378 [0,0,1,0,0,0|2,0,1]=4 38 B9R0.46 C#CCCNCC(O)CO 34a_100000755551_100011219619 [0,0,1,0,0,0|1,0,1]=3 39 B9R0.46 C#CCCNC[C@@H](C)CO 34a_100000755551_100000059175 [0,0,1,0,0,0|2,0,1]=4 40 B9R0.46 C#CCCNC[C@@H](F)CO 34a_100015665980_100000688953 [0,0,1,0,0,0|2,0,1]=4 41 B9R0.46 C#CCCNC[C@@H](O)CF 34a_100000755551_100015614560 [0,0,1,0,0,0|2,0,1]=4 42 B9R0.46 C#CCCNC[C@@H](O)CO 34a_100000755551_100009815848 [0,0,1,0,0,0|1,0,1]=3 43 B9R0.46 C#CCCNC[C@H](O)CO 2230a_100020644852_100000688953 [0,0,1,0,0,0|1,0,1]=3 44 B9R0.46 C#CCCOCC(O)CO 34a_100011215631_100011219619 [0,0,1,0,0,0|2,0,1]=4 45 B9R0.46 C#CCCOC[C@@H](O)CO 34a_100011215631_100009815848 [0,0,1,0,0,0|2,0,1]=4 46 B9R0.46 C#CCCSCC(O)CO 62a_100000688953_100011219619 [0,0,1,0,0,0|2,0,1]=4 47 B9R0.46 C#CCCSCC(O)CO 62a_100011219619_100000688953 [0,0,1,0,0,0|2,0,1]=4 48 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100000688953_100009815848 [0,0,1,0,0,0|2,0,1]=4 49 B9R0.46 C#CCCSC[C@@H](O)CO 62a_100009815848_100000688953 [0,0,1,0,0,0|2,0,1]=4 50 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [0,0,1,0,0,0|2,0,1]=4 51 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [0,0,1,0,0,0|2,0,1]=4 52 B9R0.46 C=CC(O)CNCCCF 2230a_100015189416_100000730141 [0,0,1,0,0,0|2,0,1]=4 53 B9R0.46 C=CC(O)CNCCCF 34a_100015189416_100000730141 [0,0,1,0,0,0|2,0,1]=4 54 B9R0.46 C=CC(O)CSCCCO 62a_100000730141_100011215043 [0,0,1,0,0,0|2,0,1]=4 55 B9R0.46 C=CC(O)CSCCCO 62a_100011215043_100000730141 [0,0,1,0,0,0|2,0,1]=4 56 B9R0.46 C=CCCNCC(C)CO 34a_100000744482_100000754431 [0,0,1,0,0,0|2,0,1]=4 57 B9R0.46 C=CCCNCC(O)CC 2230a_100011218483_100000754431 [0,0,1,0,0,0|2,0,1]=4 58 B9R0.46 C=CCCNCC(O)CC 2230a_100015191253_100011218378 [0,0,1,0,0,0|2,0,1]=4 59 B9R0.46 C=CCCNCC(O)CO 2230a_100015191253_100011219619 [0,0,1,0,0,0|1,0,1]=3 60 B9R0.46 C=CCCNC[C@@H](C)CO 2230a_100015191253_100000059175 [0,0,1,0,0,0|2,0,1]=4 61 B9R0.46 C=CCCNC[C@@H](F)CO 34a_100015665980_100000754431 [0,0,1,0,0,0|2,0,1]=4 62 B9R0.46 C=CCCNC[C@@H](O)CF 2230a_100015191253_100015614560 [0,0,1,0,0,0|2,0,1]=4 63 B9R0.46 C=CCCNC[C@@H](O)CO 2230a_100015191253_100009815848 [0,0,1,0,0,0|1,0,1]=3 64 B9R0.46 C=CCCNC[C@H](O)CO 2230a_100020644852_100000754431 [0,0,1,0,0,0|1,0,1]=3 65 B9R0.46 C=CCCOCC(O)CO 34a_100011205117_100011219619 [0,0,1,0,0,0|2,0,1]=4 66 B9R0.46 C=CCCOC[C@@H](O)CO 34a_100011205117_100009815848 [0,0,1,0,0,0|2,0,1]=4 67 B9R0.46 C=CCCSCC(O)CO 62a_100000754431_100011219619 [0,0,1,0,0,0|2,0,1]=4 68 B9R0.46 C=CCCSCC(O)CO 62a_100011219619_100000754431 [0,0,1,0,0,0|2,0,1]=4 69 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100000754431_100009815848 [0,0,1,0,0,0|2,0,1]=4 70 B9R0.46 C=CCCSC[C@@H](O)CO 62a_100009815848_100000754431 [0,0,1,0,0,0|2,0,1]=4 71 B9R0.46 CC#CCNCC(O)CO 2230a_100000685387_100011219619 [0,0,1,0,0,0|1,0,2]=4 72 B9R0.46 CC#CCNCC(O)CO 34a_100000685387_100011219619 [0,0,1,0,0,0|1,0,2]=4 73 B9R0.46 CC#CCNC[C@@H](O)CO 2230a_100000685387_100009815848 [0,0,1,0,0,0|1,0,2]=4 74 B9R0.46 CC#CCNC[C@@H](O)CO 34a_100000685387_100009815848 [0,0,1,0,0,0|1,0,2]=4 75 B9R0.46 CC#CCNC[C@H](O)CO 2230a_100020644852_100000748600 [0,0,1,0,0,0|1,0,2]=4 76 B9R0.46 CC(CN)COCCCO 34a_100000744482_100000230001 [0,0,1,0,0,0|3,0,0]=4 77 B9R0.46 CC(CO)CCNCCO 2230a_106354213184_100000211926 [0,0,1,0,0,0|3,0,0]=4 78 B9R0.46 CC(CO)CCNCCO 34a_106354213184_100000211926 [0,0,1,0,0,0|3,0,0]=4 79 B9R0.46 CC(CO)CNCCCF 34a_100000744482_100011934791 [0,0,1,0,0,0|2,0,0]=3 80 B9R0.46 CC(CO)CNCCCO 34a_100000744482_100000230001 [0,0,1,0,0,0|1,0,0]=2 81 B9R0.46 CC(CO)NCCCCO 2230a_100000750430_100012180447 [0,0,1,0,0,0|3,0,0]=4 82 B9R0.46 CC(CO)NCCCCO 34a_100000750430_100012180447 [0,0,1,0,0,0|3,0,0]=4 83 B9R0.46 CC(CO)SCCCCO 62a_100012180447_100000210776 [0,0,1,0,0,0|3,0,0]=4 84 B9R0.46 CC=CCNC[C@H](O)CO 2230a_100020644852_100000070051 [0,0,1,0,0,0|1,0,2]=4 85 B9R0.46 CCC(C)CNCCCF 2230a_100015189416_100000748023 [0,0,1,0,0,0|3,0,0]=4 86 B9R0.46 CCC(C)CNCCCF 2230a_100020588543_100011934791 [0,0,1,0,0,0|3,0,0]=4 87 B9R0.46 CCC(C)CNCCCF 270004a_100015189416_100000243153 [0,0,1,0,0,0|3,0,0]=4 88 B9R0.46 CCC(C)CNCCCF 34a_100015189416_100000748023 [0,0,1,0,0,0|3,0,0]=4 89 B9R0.46 CCC(C)CNCCCO 2230a_100020588543_100000230001 [0,0,1,0,0,0|2,0,0]=3 90 B9R0.46 CCC(C)CNCCCO 270004a_100000182051_100000243153 [0,0,1,0,0,0|2,0,0]=3 91 B9R0.46 CCC(C)CSCCCO 62a_100000748023_100011215043 [0,0,1,0,0,0|3,0,0]=4 92 B9R0.46 CCC(C)CSCCCO 62a_100011215043_100000748023 [0,0,1,0,0,0|3,0,0]=4 93 B9R0.46 CCC(O)CNCCC#N 2230a_100011218483_100011215226 [0,0,1,0,0,0|2,0,1]=4 94 B9R0.46 CCC(O)CNCCCF 2230a_100011218483_100011934791 [0,0,1,0,0,0|2,0,0]=3 95 B9R0.46 CCC(O)CNCCCF 2230a_100015189416_100011218378 [0,0,1,0,0,0|2,0,0]=3 96 B9R0.46 CCC(O)CNCCCF 34a_100015189416_100011218378 [0,0,1,0,0,0|2,0,0]=3 97 B9R0.46 CCC(O)CNCCCO 2230a_100011218483_100000230001 [0,0,1,0,0,0|1,0,0]=2 98 B9R0.46 CCC(O)CNCCOC 2230a_100000209980_100011218378 [0,0,1,0,0,0|3,0,0]=4 99 B9R0.46 CCC(O)CNCCOC 2230a_100011218483_100011201679 [0,0,1,0,0,0|3,0,0]=4 100 B9R0.46 CCC(O)CNCCSC 2230a_100011218483_100000751147 [0,0,1,0,0,0|3,0,0]=4 101 B9R0.46 CCC(O)CNCCSC 2230a_100020590264_100011218378 [0,0,1,0,0,0|3,0,0]=4 102 B9R0.46 CCC(O)COCCCBr 34a_100011217188_100011218378 [0,0,1,0,0,0|3,0,0]=4 103 B9R0.46 CCC(O)COCCCCl 34a_100000230001_100011218378 [0,0,1,0,0,0|3,0,0]=4 104 B9R0.46 CCC(O)COCCCF 34a_100000759539_100011218378 [0,0,1,0,0,0|3,0,0]=4 105 B9R0.46 CCC(O)COCCCN 34a_100000182051_100011218378 [0,0,1,0,0,0|3,0,0]=4 106 B9R0.46 CCC(O)CSCCCF 62a_100011218378_100011934791 [0,0,1,0,0,0|3,0,0]=4 107 B9R0.46 CCC(O)CSCCCF 62a_100011934791_100011218378 [0,0,1,0,0,0|3,0,0]=4 108 B9R0.46 CCC(O)CSCCCO 62a_100011215043_100011218378 [0,0,1,0,0,0|2,0,0]=3 109 B9R0.46 CCC(O)CSCCCO 62a_100011218378_100011215043 [0,0,1,0,0,0|2,0,0]=3 110 B9R0.46 CCCCNCC(C)CC 2230a_100000102301_100000748023 [0,0,1,0,0,0|3,0,0]=4 111 B9R0.46 CCCCNCC(C)CC 2230a_100020588543_100000210211 [0,0,1,0,0,0|3,0,0]=4 112 B9R0.46 CCCCNCC(C)CC 270004a_100000102301_100000243153 [0,0,1,0,0,0|3,0,0]=4 113 B9R0.46 CCCCNCC(C)CC 7a_106832991798_100000748023 [0,0,1,0,0,0|3,0,0]=4 114 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,0,1,0,0,0|2,0,0]=3 115 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,0,1,0,0,0|2,0,0]=3 116 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,0,1,0,0,0|2,0,0]=3 117 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,0,1,0,0,0|2,0,0]=3 118 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,0,1,0,0,0|1,0,0]=2 119 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,0,1,0,0,0|1,0,0]=2 120 B9R0.46 CCCCNC[C@@H](C)CC 2230a_100000102301_100009816398 [0,0,1,0,0,0|3,0,0]=4 121 B9R0.46 CCCCNC[C@@H](C)CC 7a_106832991798_100009816398 [0,0,1,0,0,0|3,0,0]=4 122 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,0,1,0,0,0|2,0,0]=3 123 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,0,1,0,0,0|2,0,0]=3 124 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,0,1,0,0,0|2,0,0]=3 125 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [0,0,1,0,0,0|2,0,0]=3 126 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [0,0,1,0,0,0|2,0,0]=3 127 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,0,1,0,0,0|1,0,0]=2 128 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,0,1,0,0,0|1,0,0]=2 129 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,0,1,0,0,0|1,0,0]=2 130 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,0,1,0,0,0|3,0,0]=4 131 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,0,1,0,0,0|3,0,0]=4 132 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,0,1,0,0,0|2,0,0]=3 133 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,0,1,0,0,0|2,0,0]=3 134 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,0,1,0,0,0|3,0,0]=4 135 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,0,1,0,0,0|3,0,0]=4 136 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [0,0,1,0,0,0|3,0,0]=4 137 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [0,0,1,0,0,0|3,0,0]=4 138 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,0,1,0,0,0|2,0,0]=3 139 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,0,1,0,0,0|2,0,0]=3 140 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,0,1,0,0,0|3,0,0]=4 141 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,0,1,0,0,0|3,0,0]=4 142 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,0,1,0,0,0|2,0,0]=3 143 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,0,1,0,0,0|2,0,0]=3 144 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,0,1,0,0,0|3,0,0]=4 145 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,0,1,0,0,0|3,0,0]=4 146 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [0,0,1,0,0,0|3,0,0]=4 147 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [0,0,1,0,0,0|3,0,0]=4 148 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,0,1,0,0,0|2,0,0]=3 149 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,0,1,0,0,0|2,0,0]=3 150 B9R0.46 CCOCSCC(O)CO 62a_100000739092_100011219619 [0,0,1,0,0,0|3,0,0]=4 151 B9R0.46 CCOCSCC(O)CO 62a_100011219619_100000739092 [0,0,1,0,0,0|3,0,0]=4 152 B9R0.46 CCOCSC[C@@H](O)CO 62a_100000739092_100009815848 [0,0,1,0,0,0|3,0,0]=4 153 B9R0.46 CCOCSC[C@@H](O)CO 62a_100009815848_100000739092 [0,0,1,0,0,0|3,0,0]=4 154 B9R0.46 CC[C@H](C)CNCCCF 2230a_100015189416_100009816398 [0,0,1,0,0,0|3,0,0]=4 155 B9R0.46 CC[C@H](C)CNCCCF 34a_100015189416_100009816398 [0,0,1,0,0,0|3,0,0]=4 156 B9R0.46 CC[C@H](C)COCCCO 7a_100009816381_100011215043 [0,0,1,0,0,0|3,0,0]=4 157 B9R0.46 CC[C@H](C)CSCCCO 62a_100009816398_100011215043 [0,0,1,0,0,0|3,0,0]=4 158 B9R0.46 CC[C@H](C)CSCCCO 62a_100011215043_100009816398 [0,0,1,0,0,0|3,0,0]=4 159 B9R0.46 COCCNCC(C)CO 34a_100000744482_100011201679 [0,0,1,0,0,0|3,0,0]=4 160 B9R0.46 COCCNCC(O)CO 2230a_100000209980_100011219619 [0,0,1,0,0,0|2,0,0]=3 161 B9R0.46 COCCNC[C@@H](C)CO 2230a_100000209980_100000059175 [0,0,1,0,0,0|3,0,0]=4 162 B9R0.46 COCCNC[C@@H](F)CO 34a_100015665980_100011201679 [0,0,1,0,0,0|3,0,0]=4 163 B9R0.46 COCCNC[C@@H](O)CF 2230a_100000209980_100015614560 [0,0,1,0,0,0|3,0,0]=4 164 B9R0.46 COCCNC[C@@H](O)CO 2230a_100000209980_100009815848 [0,0,1,0,0,0|2,0,0]=3 165 B9R0.46 COCCNC[C@H](O)CO 2230a_100020644852_100011201679 [0,0,1,0,0,0|2,0,0]=3 166 B9R0.46 COCCOCC(O)CO 34a_100000210237_100011219619 [0,0,1,0,0,0|3,0,0]=4 167 B9R0.46 COCCOC[C@@H](O)CO 34a_100000210237_100009815848 [0,0,1,0,0,0|3,0,0]=4 168 B9R0.46 COCCSCC(O)CO 62a_100000233755_100011219619 [0,0,1,0,0,0|3,0,0]=4 169 B9R0.46 COCCSCC(O)CO 62a_100011219619_100000233755 [0,0,1,0,0,0|3,0,0]=4 170 B9R0.46 COCCSC[C@@H](O)CO 62a_100000233755_100009815848 [0,0,1,0,0,0|3,0,0]=4 171 B9R0.46 COCCSC[C@@H](O)CO 62a_100009815848_100000233755 [0,0,1,0,0,0|3,0,0]=4 172 B9R0.46 CO[C@H](C)CNCCCO 2230a_100020591295_100000230001 [0,0,1,0,0,0|3,0,0]=4 173 B9R0.46 CSCCNCC(C)CO 34a_100000744482_100000212216 [0,0,1,0,0,0|3,0,0]=4 174 B9R0.46 CSCCNCC(O)CO 2230a_100020590264_100011219619 [0,0,1,0,0,0|2,0,0]=3 175 B9R0.46 CSCCNC[C@@H](C)CO 2230a_100020590264_100000059175 [0,0,1,0,0,0|3,0,0]=4 176 B9R0.46 CSCCNC[C@@H](F)CO 34a_100015665980_100000212216 [0,0,1,0,0,0|3,0,0]=4 177 B9R0.46 CSCCNC[C@@H](O)CF 2230a_100020590264_100015614560 [0,0,1,0,0,0|3,0,0]=4 178 B9R0.46 CSCCNC[C@@H](O)CO 2230a_100020590264_100009815848 [0,0,1,0,0,0|2,0,0]=3 179 B9R0.46 CSCCNC[C@H](O)CO 2230a_100020644852_100000751147 [0,0,1,0,0,0|2,0,0]=3 180 B9R0.46 CSCCOCC(O)CO 34a_100000230434_100011219619 [0,0,1,0,0,0|3,0,0]=4 181 B9R0.46 CSCCOCC(O)CO 7a_100000230434_100011219619 [0,0,1,0,0,0|3,0,0]=4 182 B9R0.46 CSCCOC[C@@H](O)CO 34a_100000230434_100009815848 [0,0,1,0,0,0|3,0,0]=4 183 B9R0.46 CSCCOC[C@@H](O)CO 7a_100000230434_100009815848 [0,0,1,0,0,0|3,0,0]=4 184 B9R0.46 CSCCSCC(O)CO 62a_100000212216_100011219619 [0,0,1,0,0,0|3,0,0]=4 185 B9R0.46 CSCCSCC(O)CO 62a_100011219619_100000751147 [0,0,1,0,0,0|3,0,0]=4 186 B9R0.46 CSCCSC[C@@H](O)CO 62a_100000212216_100009815848 [0,0,1,0,0,0|3,0,0]=4 187 B9R0.46 CSCCSC[C@@H](O)CO 62a_100009815848_100000751147 [0,0,1,0,0,0|3,0,0]=4 188 B9R0.46 C[C@@H](CO)CNCCCF 2230a_100015189416_100000059175 [0,0,1,0,0,0|2,0,0]=3 189 B9R0.46 C[C@@H](CO)CNCCCF 34a_100015189416_100000059175 [0,0,1,0,0,0|2,0,0]=3 190 B9R0.46 C[C@@H](CO)COCCCBr 34a_100011217188_100000059175 [0,0,1,0,0,0|3,0,0]=4 191 B9R0.46 C[C@@H](CO)COCCCCl 34a_100000230001_100000059175 [0,0,1,0,0,0|3,0,0]=4 192 B9R0.46 C[C@@H](CO)COCCCF 34a_100000759539_100000059175 [0,0,1,0,0,0|3,0,0]=4 193 B9R0.46 C[C@@H](CO)COCCCN 34a_100000182051_100000059175 [0,0,1,0,0,0|3,0,0]=4 194 B9R0.46 C[C@@H](CO)CSCCCF 62a_100000059175_100011934791 [0,0,1,0,0,0|3,0,0]=4 195 B9R0.46 C[C@@H](CO)CSCCCF 62a_100011934791_100000059175 [0,0,1,0,0,0|3,0,0]=4 196 B9R0.46 C[C@@H](CO)CSCCCO 62a_100000059175_100011215043 [0,0,1,0,0,0|2,0,0]=3 197 B9R0.46 C[C@@H](CO)CSCCCO 62a_100011215043_100000059175 [0,0,1,0,0,0|2,0,0]=3 198 B9R0.46 C[C@H](CO)NCCCCO 2230a_100000737577_100000210776 [0,0,1,0,0,0|3,0,0]=4 199 B9R0.46 C[C@H](CO)SCCCCO 62a_100000210776_100016084084 [0,0,1,0,0,0|3,0,0]=4 200 B9R0.46 C[C@H](CO)SCCCCO 62a_100016084084_100000210776 [0,0,1,0,0,0|3,0,0]=4 201 B9R0.46 N#CCCNC[C@H](O)CO 2230a_100020644852_100011215226 [0,0,1,0,0,0|1,0,1]=3 202 B9R0.46 N#CCCSCC(O)CO 62a_100011215226_100011219619 [0,0,1,0,0,0|2,0,1]=4 203 B9R0.46 N#CCCSCC(O)CO 62a_100011219619_100011215226 [0,0,1,0,0,0|2,0,1]=4 204 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100009815848_100011215226 [0,0,1,0,0,0|2,0,1]=4 205 B9R0.46 N#CCCSC[C@@H](O)CO 62a_100011215226_100009815848 [0,0,1,0,0,0|2,0,1]=4 206 B9R0.46 NCCCOCC(O)CO 34a_100000182051_100011219619 [0,0,1,0,0,0|2,0,0]=3 207 B9R0.46 NCCCOC[C@@H](O)CF 34a_100000182051_100015614560 [0,0,1,0,0,0|3,0,0]=4 208 B9R0.46 NCCCOC[C@@H](O)CO 34a_100000182051_100009815848 [0,0,1,0,0,0|2,0,0]=3 209 B9R0.46 NC[C@@H](F)COCCCO 34a_100015665980_100000230001 [0,0,1,0,0,0|3,0,0]=4 210 B9R0.46 NOCCOCC(O)CO 34a_100000700252_100011219619 [0,0,1,0,0,0|3,0,0]=4 211 B9R0.46 NOCCOC[C@@H](O)CO 34a_100000700252_100009815848 [0,0,1,0,0,0|3,0,0]=4 212 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,0,1,0,0,0|1,0,2]=4 213 B9R0.46 OCC(O)CNCCCF 2230a_100015189416_100011219619 [0,0,1,0,0,0|1,0,0]=2 214 B9R0.46 OCC(O)CNCCCF 34a_100015189416_100011219619 [0,0,1,0,0,0|1,0,0]=2 215 B9R0.46 OCC(O)COCCCBr 34a_100011217188_100011219619 [0,0,1,0,0,0|2,0,0]=3 216 B9R0.46 OCC(O)COCCCCl 34a_100000230001_100011219619 [0,0,1,0,0,0|2,0,0]=3 217 B9R0.46 OCC(O)COCCCF 34a_100000759539_100011219619 [0,0,1,0,0,0|2,0,0]=3 218 B9R0.46 OCC(O)CSCCCF 62a_100011219619_100011934791 [0,0,1,0,0,0|2,0,0]=3 219 B9R0.46 OCC(O)CSCCCF 62a_100011934791_100011219619 [0,0,1,0,0,0|2,0,0]=3 220 B9R0.46 OCCCNC[C@@H](F)CO 34a_100015665980_100000230001 [0,0,1,0,0,0|1,0,0]=2 221 B9R0.46 OCCCNC[C@H](O)CO 2230a_100020644852_100000230001 [0,0,1,0,0,0|0,0,0]=1 222 B9R0.46 OCCCOCC(Cl)CCl 34a_100000033668_100000230001 [0,0,1,0,0,0|3,0,0]=4 223 B9R0.46 OCCCSCC(O)CO 62a_100011215043_100011219619 [0,0,1,0,0,0|1,0,0]=2 224 B9R0.46 OCCCSCC(O)CO 62a_100011219619_100011215043 [0,0,1,0,0,0|1,0,0]=2 225 B9R0.46 OCCCSC[C@@H](O)CF 62a_100011215043_100015614560 [0,0,1,0,0,0|2,0,0]=3 226 B9R0.46 OCCCSC[C@@H](O)CF 62a_100015614560_100011215043 [0,0,1,0,0,0|2,0,0]=3 227 B9R0.46 OCCCSC[C@@H](O)CO 62a_100009815848_100011215043 [0,0,1,0,0,0|1,0,0]=2 228 B9R0.46 OCCCSC[C@@H](O)CO 62a_100011215043_100009815848 [0,0,1,0,0,0|1,0,0]=2 229 B9R0.46 OCCNN=CC(O)CO 4a_100000210001_100000033539 [0,0,1,0,0,0|1,0,2]=4 230 B9R0.46 OC[C@@H](O)CNCCCF 2230a_100020644852_100011934791 [0,0,1,0,0,0|1,0,0]=2 231 B9R0.46 OC[C@H](F)CNCCCF 34a_100015665980_100011934791 [0,0,1,0,0,0|2,0,0]=3 232 B9R0.46 OC[C@H](O)CNCCCF 2230a_100015189416_100009815848 [0,0,1,0,0,0|1,0,0]=2 233 B9R0.46 OC[C@H](O)CNCCCF 34a_100015189416_100009815848 [0,0,1,0,0,0|1,0,0]=2 234 B9R0.46 OC[C@H](O)COCCCBr 34a_100011217188_100009815848 [0,0,1,0,0,0|2,0,0]=3 235 B9R0.46 OC[C@H](O)COCCCCl 34a_100000230001_100009815848 [0,0,1,0,0,0|2,0,0]=3 236 B9R0.46 OC[C@H](O)COCCCF 34a_100000759539_100009815848 [0,0,1,0,0,0|2,0,0]=3 237 B9R0.46 OC[C@H](O)CSCCCF 62a_100009815848_100011934791 [0,0,1,0,0,0|2,0,0]=3 238 B9R0.46 OC[C@H](O)CSCCCF 62a_100011934791_100009815848 [0,0,1,0,0,0|2,0,0]=3 239 B9R0.46 O[C@@H](CF)CNCCCF 2230a_100015189416_100015614560 [0,0,1,0,0,0|2,0,0]=3 240 B9R0.46 O[C@@H](CF)CNCCCF 34a_100015189416_100015614560 [0,0,1,0,0,0|2,0,0]=3 241 B9R0.46 O[C@@H](CF)COCCCBr 34a_100011217188_100015614560 [0,0,1,0,0,0|3,0,0]=4 242 B9R0.46 O[C@@H](CF)COCCCCl 34a_100000230001_100015614560 [0,0,1,0,0,0|3,0,0]=4 243 B9R0.46 O[C@@H](CF)COCCCF 34a_100000759539_100015614560 [0,0,1,0,0,0|3,0,0]=4 244 B9R0.46 O[C@@H](CF)CSCCCF 62a_100011934791_100015614560 [0,0,1,0,0,0|3,0,0]=4 245 B9R0.46 O[C@@H](CF)CSCCCF 62a_100015614560_100011934791 [0,0,1,0,0,0|3,0,0]=4 246 B9R0.50 CCC(=NNCCO)CO 4a_100000210001_100000725409 [0,0,1,0,0,0|2,0,1]=4 247 B9R0.50 CCC(CC)CNCCF 2230a_100102946423_100011217306 [0,0,1,0,0,0|3,0,0]=4 248 B9R0.50 CCC(CC)CNCCF 269862a_100000724931_100000211137 [0,0,1,0,0,0|3,0,0]=4 249 B9R0.50 CCC(CC)CNCCF 34a_100000724931_100011215472 [0,0,1,0,0,0|3,0,0]=4 250 B9R0.50 CCC(CC)CNCCO 2230a_100016997473_100011215472 [0,0,1,0,0,0|2,0,0]=3 251 B9R0.50 CCC(CC)CNCCO 2230a_100102946423_100000211926 [0,0,1,0,0,0|2,0,0]=3 252 B9R0.50 CCC(CC)CNCCO 269862a_100000210304_100000211137 [0,0,1,0,0,0|2,0,0]=3 253 B9R0.50 CCC(CC)CNCCO 270004a_100000210304_100000211137 [0,0,1,0,0,0|2,0,0]=3 254 B9R0.50 CCC(CC)CNCCO 34a_100016990907_100011215472 [0,0,1,0,0,0|2,0,0]=3 255 B9R0.50 CCC(CC)COCCO 7a_100000703878_100000211926 [0,0,1,0,0,0|3,0,0]=4 256 B9R0.50 CCC(CC)CSCCO 62a_100000211926_100011215472 [0,0,1,0,0,0|3,0,0]=4 257 B9R0.50 CCC(CC)CSCCO 62a_100011215472_100000211926 [0,0,1,0,0,0|3,0,0]=4 258 B9R0.50 CCCCNC(CO)CO 2230a_100000759517_100000210211 [0,0,1,0,0,0|3,0,0]=4 259 B9R0.50 CCCNCC(CC)CC 2230a_100102946423_100000210303 [0,0,1,0,0,0|3,0,0]=4 260 B9R0.50 CCCNCC(CC)CC 269862a_100020643023_100000211137 [0,0,1,0,0,0|3,0,0]=4 261 B9R0.50 CCCNCC(CC)CC 270004a_100020643023_100000211137 [0,0,1,0,0,0|3,0,0]=4 262 B9R0.50 CCCNN=C(CO)CO 4a_100000740057_100000036256 [0,0,1,0,0,0|2,0,1]=4 263 B9R0.50 CC[C@@H](CO)NCCCO 2230a_100000709445_100000230001 [0,0,1,0,0,0|3,0,0]=4 264 B9R0.50 OCC(CO)NCCCF 2230a_100000759517_100011934791 [0,0,1,0,0,0|3,0,0]=4 265 B9R0.50 OCCCNC(CO)CO 2230a_100000759517_100000230001 [0,0,1,0,0,0|2,0,0]=3 266 B9R0.50 OCCNN=C(CO)CO 4a_100000210001_100000036256 [0,0,1,0,0,0|1,0,1]=3 267 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [1,0,1,0,0,0|0,0,2]=4 268 B8R0.15 CC(C)C(CO)CN[13CH3] 34a_100000692819_200025704644 [1,0,1,0,0,0|1,0,0]=3 269 B8R0.15 CCC(CNC)C(C)C 269862a_106832991636_100011214906 [1,0,1,0,0,0|2,0,0]=4 270 B8R0.15 CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210202 [1,0,1,0,0,0|2,0,0]=4 271 B8R0.15 CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210202 [1,0,1,0,0,0|2,0,0]=4 272 B8R0.15 CNCC(CO)C(C)C 34a_100000692819_200000210301 [1,0,1,0,0,0|1,0,0]=3 273 B8R0.20 CC[C@H](C)[C@@H](CO)NC 2230a_100011827617_200000210301 [1,0,1,0,0,0|2,0,0]=4 274 B8R0.20 CC[C@H](C)[C@@H](CO)N[13CH3] 2230a_100011827617_200025704644 [1,0,1,0,0,0|2,0,0]=4 275 B8R0.19 CC(CN)OC(C)CO 34a_100000210904_100012180447 [1,0,1,0,0,0|2,0,0]=4 276 B8R0.1 CCOCC(O)CNC 2230a_102515437182_200000210301 [1,0,1,0,0,0|2,0,0]=4 277 B8R0.1 CCOCC(O)CNC 34a_102515437182_200000210301 [1,0,1,0,0,0|2,0,0]=4 278 B8R0.1 CCOCC(O)CN[13CH3] 2230a_102515437182_200025704644 [1,0,1,0,0,0|2,0,0]=4 279 B8R0.1 CCOCC(O)CN[13CH3] 34a_102515437182_200025704644 [1,0,1,0,0,0|2,0,0]=4 280 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [1,0,1,0,0,0|1,0,0]=3 281 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [1,0,1,0,0,0|1,0,0]=3 282 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [1,0,1,0,0,0|1,0,0]=3 283 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [1,0,1,0,0,0|1,0,0]=3 284 B8R0.4 C#CCCNCCCO 34a_100000755551_100000230001 [1,0,1,0,0,0|1,0,1]=4 285 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [1,0,1,0,0,0|1,0,1]=4 286 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,0,1,0,0,0|2,0,0]=4 287 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,0,1,0,0,0|2,0,0]=4 288 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,0,1,0,0,0|2,0,0]=4 289 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,0,1,0,0,0|2,0,0]=4 290 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,0,1,0,0,0|2,0,0]=4 291 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,0,1,0,0,0|2,0,0]=4 292 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,0,1,0,0,0|1,0,0]=3 293 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,0,1,0,0,0|1,0,0]=3 294 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,0,1,0,0,0|2,0,0]=4 295 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,0,1,0,0,0|2,0,0]=4 296 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,0,1,0,0,0|2,0,0]=4 297 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,0,1,0,0,0|2,0,0]=4 298 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [1,0,1,0,0,0|2,0,0]=4 299 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [1,0,1,0,0,0|2,0,0]=4 300 B8R0.4 FCCCNCCCF 2230a_100015189416_100011934791 [1,0,1,0,0,0|2,0,0]=4 301 B8R0.4 FCCCNCCCF 34a_100015189416_100011934791 [1,0,1,0,0,0|2,0,0]=4 302 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [1,0,1,0,0,0|2,0,0]=4 303 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [1,0,1,0,0,0|2,0,0]=4 304 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [1,0,1,0,0,0|2,0,0]=4 305 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [1,0,1,0,0,0|2,0,0]=4 306 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [1,0,1,0,0,0|2,0,0]=4 307 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [1,0,1,0,0,0|2,0,0]=4 308 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [1,0,1,0,0,0|2,0,0]=4 309 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [1,0,1,0,0,0|1,0,0]=3 310 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [1,0,1,0,0,0|1,0,0]=3 311 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [1,0,1,0,0,0|2,0,0]=4 312 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [1,0,1,0,0,0|2,0,0]=4 313 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [1,0,1,0,0,0|2,0,0]=4 314 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [1,0,1,0,0,0|2,0,0]=4 315 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [1,0,1,0,0,0|2,0,0]=4 316 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [1,0,1,0,0,0|1,0,0]=3 317 B8R0.6 C#CCNCC(C)CO 34a_100000744482_100000184674 [1,0,1,0,0,0|1,0,1]=4 318 B8R0.6 C#CCNCC(O)CO 34a_100000212058_100011219619 [1,0,1,0,0,0|0,0,2]=4 319 B8R0.6 C#CCNC[C@@H](C)CO 34a_100000212058_100000059175 [1,0,1,0,0,0|1,0,1]=4 320 B8R0.6 C#CCNC[C@@H](O)CO 34a_100000212058_100009815848 [1,0,1,0,0,0|0,0,2]=4 321 B8R0.6 C#CCNC[C@H](O)CO 2230a_100020644852_100000038162 [1,0,1,0,0,0|0,0,2]=4 322 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [1,0,1,0,0,0|1,0,1]=4 323 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [1,0,1,0,0,0|1,0,1]=4 324 B8R0.6 C=CCNCC(C)CO 34a_100000744482_100015514636 [1,0,1,0,0,0|1,0,1]=4 325 B8R0.6 C=CCNCC(O)CO 2230a_100020586998_100011219619 [1,0,1,0,0,0|0,0,2]=4 326 B8R0.6 C=CCNC[C@@H](C)CO 2230a_100020586998_100000059175 [1,0,1,0,0,0|1,0,1]=4 327 B8R0.6 C=CCNC[C@@H](O)CO 2230a_100020586998_100009815848 [1,0,1,0,0,0|0,0,2]=4 328 B8R0.6 C=CCNC[C@H](O)CO 2230a_100020644852_100000210623 [1,0,1,0,0,0|0,0,2]=4 329 B8R0.6 CC(=NNCCO)CO 4a_100000210001_100000211253 [1,0,1,0,0,0|1,0,1]=4 330 B8R0.6 CC(CN)COCCO 34a_100000744482_100000211926 [1,0,1,0,0,0|2,0,0]=4 331 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [1,0,1,0,0,0|0,0,2]=4 332 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [1,0,1,0,0,0|1,0,0]=3 333 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [1,0,1,0,0,0|0,0,0]=2 334 B8R0.6 CC(CO)NCCCF 2230a_100015189416_100012180447 [1,0,1,0,0,0|2,0,0]=4 335 B8R0.6 CC(CO)NCCCF 34a_100015189416_100012180447 [1,0,1,0,0,0|2,0,0]=4 336 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [1,0,1,0,0,0|2,0,0]=4 337 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [1,0,1,0,0,0|2,0,0]=4 338 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [1,0,1,0,0,0|2,0,0]=4 339 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [1,0,1,0,0,0|1,0,0]=3 340 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [1,0,1,0,0,0|1,0,0]=3 341 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [1,0,1,0,0,0|1,0,0]=3 342 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [1,0,1,0,0,0|1,0,0]=3 343 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [1,0,1,0,0,0|2,0,0]=4 344 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [1,0,1,0,0,0|2,0,0]=4 345 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [1,0,1,0,0,0|2,0,0]=4 346 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [1,0,1,0,0,0|2,0,0]=4 347 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [1,0,1,0,0,0|2,0,0]=4 348 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [1,0,1,0,0,0|1,0,0]=3 349 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [1,0,1,0,0,0|1,0,0]=3 350 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [1,0,1,0,0,0|1,0,0]=3 351 B8R0.6 CCC(O)CNCOC 2230a_100011218483_100000766300 [1,0,1,0,0,0|2,0,0]=4 352 B8R0.6 CCC(O)CNCSC 2230a_100011218483_100011218213 [1,0,1,0,0,0|2,0,0]=4 353 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [1,0,1,0,0,0|2,0,0]=4 354 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [1,0,1,0,0,0|2,0,0]=4 355 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [1,0,1,0,0,0|2,0,0]=4 356 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [1,0,1,0,0,0|2,0,0]=4 357 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [1,0,1,0,0,0|2,0,0]=4 358 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [1,0,1,0,0,0|2,0,0]=4 359 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [1,0,1,0,0,0|2,0,0]=4 360 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [1,0,1,0,0,0|1,0,0]=3 361 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [1,0,1,0,0,0|1,0,0]=3 362 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [1,0,1,0,0,0|1,0,0]=3 363 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [1,0,1,0,0,0|0,0,0]=2 364 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [1,0,1,0,0,0|2,0,0]=4 365 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [1,0,1,0,0,0|1,0,0]=3 366 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,0,1,0,0,0|2,0,0]=4 367 B8R0.6 CCCOC[C@@H](O)CF 34a_100000210258_100015614560 [1,0,1,0,0,0|2,0,0]=4 368 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [1,0,1,0,0,0|1,0,0]=3 369 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [1,0,1,0,0,0|2,0,0]=4 370 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [1,0,1,0,0,0|2,0,0]=4 371 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [1,0,1,0,0,0|1,0,0]=3 372 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [1,0,1,0,0,0|1,0,0]=3 373 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [1,0,1,0,0,0|2,0,0]=4 374 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [1,0,1,0,0,0|2,0,0]=4 375 B8R0.6 CCCSC[C@@H](O)CF 62a_100000210303_100015614560 [1,0,1,0,0,0|2,0,0]=4 376 B8R0.6 CCCSC[C@@H](O)CF 62a_100015614560_100000210303 [1,0,1,0,0,0|2,0,0]=4 377 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [1,0,1,0,0,0|1,0,0]=3 378 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [1,0,1,0,0,0|1,0,0]=3 379 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [1,0,1,0,0,0|2,0,0]=4 380 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [1,0,1,0,0,0|1,0,0]=3 381 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [1,0,1,0,0,0|1,0,0]=3 382 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [1,0,1,0,0,0|2,0,0]=4 383 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [1,0,1,0,0,0|2,0,0]=4 384 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [1,0,1,0,0,0|2,0,0]=4 385 B8R0.6 COCNC[C@H](O)CO 2230a_100020644852_100000766300 [1,0,1,0,0,0|1,0,0]=3 386 B8R0.6 COCSCC(O)CO 62a_100000766300_100011219619 [1,0,1,0,0,0|2,0,0]=4 387 B8R0.6 COCSCC(O)CO 62a_100011219619_100000766300 [1,0,1,0,0,0|2,0,0]=4 388 B8R0.6 COCSC[C@@H](O)CO 62a_100000766300_100009815848 [1,0,1,0,0,0|2,0,0]=4 389 B8R0.6 COCSC[C@@H](O)CO 62a_100009815848_100000766300 [1,0,1,0,0,0|2,0,0]=4 390 B8R0.6 CO[C@H](C)CNCCO 2230a_100020591295_100000211926 [1,0,1,0,0,0|2,0,0]=4 391 B8R0.6 CSCNCC(C)CO 34a_100000744482_100011218213 [1,0,1,0,0,0|2,0,0]=4 392 B8R0.6 CSCNC[C@@H](F)CO 34a_100015665980_100011218213 [1,0,1,0,0,0|2,0,0]=4 393 B8R0.6 CSCNC[C@H](O)CO 2230a_100020644852_100011218213 [1,0,1,0,0,0|1,0,0]=3 394 B8R0.6 CSCSCC(O)CO 62a_100011218213_100011219619 [1,0,1,0,0,0|2,0,0]=4 395 B8R0.6 CSCSCC(O)CO 62a_100011219619_100011218213 [1,0,1,0,0,0|2,0,0]=4 396 B8R0.6 CSCSC[C@@H](O)CO 62a_100009815848_100011218213 [1,0,1,0,0,0|2,0,0]=4 397 B8R0.6 CSCSC[C@@H](O)CO 62a_100011218213_100009815848 [1,0,1,0,0,0|2,0,0]=4 398 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [1,0,1,0,0,0|1,0,0]=3 399 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [1,0,1,0,0,0|0,0,0]=2 400 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [1,0,1,0,0,0|0,0,0]=2 401 B8R0.6 C[C@@H](CO)COCCBr 34a_100000211926_100000059175 [1,0,1,0,0,0|2,0,0]=4 402 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [1,0,1,0,0,0|2,0,0]=4 403 B8R0.6 C[C@@H](CO)CSCCF 62a_100000059175_100011217306 [1,0,1,0,0,0|2,0,0]=4 404 B8R0.6 C[C@@H](CO)CSCCF 62a_100011217306_100000059175 [1,0,1,0,0,0|2,0,0]=4 405 B8R0.6 C[C@@H](CO)CSCCO 62a_100000059175_100000211926 [1,0,1,0,0,0|1,0,0]=3 406 B8R0.6 C[C@@H](CO)CSCCO 62a_100000211926_100000059175 [1,0,1,0,0,0|1,0,0]=3 407 B8R0.6 C[C@H](CO)NCCCF 2230a_100000737577_100011934791 [1,0,1,0,0,0|2,0,0]=4 408 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [1,0,1,0,0,0|1,0,0]=3 409 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [1,0,1,0,0,0|2,0,0]=4 410 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [1,0,1,0,0,0|2,0,0]=4 411 B8R0.6 N#CCNC[C@H](O)CO 2230a_100020644852_100011215382 [1,0,1,0,0,0|1,0,1]=4 412 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [1,0,1,0,0,0|2,0,0]=4 413 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [1,0,1,0,0,0|2,0,0]=4 414 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,0,1,0,0,0|0,0,2]=4 415 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [1,0,1,0,0,0|0,0,2]=4 416 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [1,0,1,0,0,0|0,0,2]=4 417 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [1,0,1,0,0,0|0,0,2]=4 418 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [1,0,1,0,0,0|1,0,0]=3 419 B8R0.6 OCC(O)COCCBr 34a_100000211926_100011219619 [1,0,1,0,0,0|2,0,0]=4 420 B8R0.6 OCC(O)CSCCF 62a_100011217306_100011219619 [1,0,1,0,0,0|2,0,0]=4 421 B8R0.6 OCC(O)CSCCF 62a_100011219619_100011217306 [1,0,1,0,0,0|2,0,0]=4 422 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [1,0,1,0,0,0|0,0,0]=2 423 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [1,0,1,0,0,0|0,0,0]=2 424 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [1,0,1,0,0,0|1,0,0]=3 425 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [1,0,1,0,0,0|1,0,0]=3 426 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [1,0,1,0,0,0|1,0,0]=3 427 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [1,0,1,0,0,0|0,0,0]=2 428 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [1,0,1,0,0,0|0,0,0]=2 429 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [1,0,1,0,0,0|0,0,0]=2 430 B8R0.6 OCCSCC(O)CO 62a_100000211926_100011219619 [1,0,1,0,0,0|1,0,0]=3 431 B8R0.6 OCCSCC(O)CO 62a_100011219619_100000211926 [1,0,1,0,0,0|1,0,0]=3 432 B8R0.6 OCCSC[C@@H](O)CF 62a_100000211926_100015614560 [1,0,1,0,0,0|2,0,0]=4 433 B8R0.6 OCCSC[C@@H](O)CF 62a_100015614560_100000211926 [1,0,1,0,0,0|2,0,0]=4 434 B8R0.6 OCCSC[C@@H](O)CO 62a_100000211926_100009815848 [1,0,1,0,0,0|1,0,0]=3 435 B8R0.6 OCCSC[C@@H](O)CO 62a_100009815848_100000211926 [1,0,1,0,0,0|1,0,0]=3 436 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [1,0,1,0,0,0|1,0,0]=3 437 B8R0.6 OC[C@H](F)CNCCF 34a_100015665980_100011217306 [1,0,1,0,0,0|2,0,0]=4 438 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [1,0,1,0,0,0|1,0,0]=3 439 B8R0.6 OC[C@H](O)COCCBr 34a_100000211926_100009815848 [1,0,1,0,0,0|2,0,0]=4 440 B8R0.6 OC[C@H](O)CSCCF 62a_100009815848_100011217306 [1,0,1,0,0,0|2,0,0]=4 441 B8R0.6 OC[C@H](O)CSCCF 62a_100011217306_100009815848 [1,0,1,0,0,0|2,0,0]=4 442 B8R0.6 O[C@@H](CF)CNCCF 34a_100000724931_100015614560 [1,0,1,0,0,0|2,0,0]=4 443 B8R0.7 C#CCCNCC(C)O 2230a_100000210904_100000688953 [1,0,1,0,0,0|1,0,1]=4 444 B8R0.7 C#CCCNCC(C)O 34a_100000210904_100000688953 [1,0,1,0,0,0|1,0,1]=4 445 B8R0.7 C#CCCNCC(C)O 34a_100000755551_100011218427 [1,0,1,0,0,0|1,0,1]=4 446 B8R0.7 C#CCCNC[C@@H](C)O 34a_100000755551_100009817552 [1,0,1,0,0,0|1,0,1]=4 447 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [1,0,1,0,0,0|1,0,1]=4 448 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [1,0,1,0,0,0|1,0,1]=4 449 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [1,0,1,0,0,0|1,0,1]=4 450 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [1,0,1,0,0,0|1,0,1]=4 451 B8R0.7 CC(Br)COCCCO 34a_100012180447_100000230001 [1,0,1,0,0,0|2,0,0]=4 452 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [1,0,1,0,0,0|2,0,0]=4 453 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [1,0,1,0,0,0|2,0,0]=4 454 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [1,0,1,0,0,0|2,0,0]=4 455 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [1,0,1,0,0,0|2,0,0]=4 456 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [1,0,1,0,0,0|2,0,0]=4 457 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [1,0,1,0,0,0|1,0,0]=3 458 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [1,0,1,0,0,0|1,0,0]=3 459 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [1,0,1,0,0,0|1,0,0]=3 460 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [1,0,1,0,0,0|2,0,0]=4 461 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [1,0,1,0,0,0|2,0,0]=4 462 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [1,0,1,0,0,0|2,0,0]=4 463 B8R0.7 CC(F)COCCCO 34a_100015925927_100000230001 [1,0,1,0,0,0|2,0,0]=4 464 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [1,0,1,0,0,0|2,0,0]=4 465 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [1,0,1,0,0,0|2,0,0]=4 466 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [1,0,1,0,0,0|2,0,0]=4 467 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [1,0,1,0,0,0|2,0,0]=4 468 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [1,0,1,0,0,0|2,0,0]=4 469 B8R0.7 CC(O)CNCCC#N 2230a_100000210904_100011215226 [1,0,1,0,0,0|1,0,1]=4 470 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [1,0,1,0,0,0|1,0,0]=3 471 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [1,0,1,0,0,0|1,0,0]=3 472 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [1,0,1,0,0,0|1,0,0]=3 473 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [1,0,1,0,0,0|1,0,0]=3 474 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [1,0,1,0,0,0|0,0,0]=2 475 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [1,0,1,0,0,0|0,0,0]=2 476 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [1,0,1,0,0,0|2,0,0]=4 477 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [1,0,1,0,0,0|2,0,0]=4 478 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [1,0,1,0,0,0|2,0,0]=4 479 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [1,0,1,0,0,0|2,0,0]=4 480 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [1,0,1,0,0,0|2,0,0]=4 481 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [1,0,1,0,0,0|2,0,0]=4 482 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [1,0,1,0,0,0|1,0,0]=3 483 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [1,0,1,0,0,0|1,0,0]=3 484 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,0,1,0,0,0|2,0,0]=4 485 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,0,1,0,0,0|2,0,0]=4 486 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,0,1,0,0,0|2,0,0]=4 487 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,0,1,0,0,0|2,0,0]=4 488 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,0,1,0,0,0|2,0,0]=4 489 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,0,1,0,0,0|1,0,0]=3 490 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,0,1,0,0,0|1,0,0]=3 491 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,0,1,0,0,0|1,0,0]=3 492 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,0,1,0,0,0|1,0,0]=3 493 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,0,1,0,0,0|1,0,0]=3 494 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,0,1,0,0,0|1,0,0]=3 495 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,0,1,0,0,0|2,0,0]=4 496 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,0,1,0,0,0|2,0,0]=4 497 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,0,1,0,0,0|2,0,0]=4 498 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,0,1,0,0,0|2,0,0]=4 499 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,0,1,0,0,0|2,0,0]=4 500 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,0,1,0,0,0|2,0,0]=4 501 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,0,1,0,0,0|2,0,0]=4 502 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,0,1,0,0,0|2,0,0]=4 503 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [1,0,1,0,0,0|2,0,0]=4 504 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [1,0,1,0,0,0|2,0,0]=4 505 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [1,0,1,0,0,0|2,0,0]=4 506 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [1,0,1,0,0,0|2,0,0]=4 507 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [1,0,1,0,0,0|2,0,0]=4 508 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [1,0,1,0,0,0|2,0,0]=4 509 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [1,0,1,0,0,0|2,0,0]=4 510 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [1,0,1,0,0,0|2,0,0]=4 511 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [1,0,1,0,0,0|2,0,0]=4 512 B8R0.7 C[C@@H](N)COCCCO 34a_100000737577_100000230001 [1,0,1,0,0,0|2,0,0]=4 513 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [1,0,1,0,0,0|1,0,0]=3 514 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [1,0,1,0,0,0|1,0,0]=3 515 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [1,0,1,0,0,0|2,0,0]=4 516 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [1,0,1,0,0,0|2,0,0]=4 517 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [1,0,1,0,0,0|2,0,0]=4 518 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [1,0,1,0,0,0|2,0,0]=4 519 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [1,0,1,0,0,0|2,0,0]=4 520 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [1,0,1,0,0,0|2,0,0]=4 521 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [1,0,1,0,0,0|1,0,0]=3 522 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [1,0,1,0,0,0|1,0,0]=3 523 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,0,1,0,0,0|0,0,2]=4 524 B8R0.7 OCCCNCC(F)F 34a_100000765723_100000230001 [1,0,1,0,0,0|2,0,0]=4 525 B8R0.11 C#CCNC(CO)CO 2230a_100000759517_100000038162 [1,0,1,0,0,0|1,0,1]=4 526 B8R0.11 C=CCNC(CO)CO 2230a_100000759517_100000210623 [1,0,1,0,0,0|1,0,1]=4 527 B8R0.11 C=C[C@@H](CO)NCCO 2230a_100016989147_100000211926 [1,0,1,0,0,0|1,0,1]=4 528 B8R0.11 C=C[C@@H](CO)NCCO 34a_100016989147_100000211926 [1,0,1,0,0,0|1,0,1]=4 529 B8R0.11 CCC(CC)NCCO 2230a_100000199018_100000211926 [1,0,1,0,0,0|2,0,0]=4 530 B8R0.11 CCC(CC)NCCO 270004a_100000210304_100000210860 [1,0,1,0,0,0|2,0,0]=4 531 B8R0.11 CCCNC(CO)CO 2230a_100000759517_100000210303 [1,0,1,0,0,0|1,0,0]=3 532 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [1,0,1,0,0,0|2,0,0]=4 533 B8R0.11 CCNCC(CC)CC 2230a_100015525214_100011215472 [1,0,1,0,0,0|2,0,0]=4 534 B8R0.11 CCNCC(CC)CC 2230a_100102946423_100000210202 [1,0,1,0,0,0|2,0,0]=4 535 B8R0.11 CCNCC(CC)CC 269862a_100015525214_100000211137 [1,0,1,0,0,0|2,0,0]=4 536 B8R0.11 CCNCC(CC)CC 270004a_100015525214_100000211137 [1,0,1,0,0,0|2,0,0]=4 537 B8R0.11 CCNN=C(CO)CO 4a_100000756455_100000036256 [1,0,1,0,0,0|1,0,1]=4 538 B8R0.11 CC[C@@H](CO)NCCF 2230a_100000709445_100011217306 [1,0,1,0,0,0|2,0,0]=4 539 B8R0.11 CC[C@@H](CO)NCCO 2230a_100000709445_100000211926 [1,0,1,0,0,0|1,0,0]=3 540 B8R0.11 COCNC(CO)CO 2230a_100000759517_100000766300 [1,0,1,0,0,0|2,0,0]=4 541 B8R0.11 CSCNC(CO)CO 2230a_100000759517_100011218213 [1,0,1,0,0,0|2,0,0]=4 542 B8R0.11 N#CCNC(CO)CO 2230a_100000759517_100011215382 [1,0,1,0,0,0|1,0,1]=4 543 B8R0.11 O=CCNC(CO)CO 2230a_100000759517_200015260668 [1,0,1,0,0,0|0,0,2]=4 544 B8R0.11 OCC(CO)NCCF 2230a_100000759517_100011217306 [1,0,1,0,0,0|1,0,0]=3 545 B8R0.11 OCCNC(CO)CO 2230a_100000759517_100000211926 [1,0,1,0,0,0|0,0,0]=2 546 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [2,0,0,0,0,0|2,0,0]=4 547 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [2,0,0,0,0,0|2,0,0]=4 548 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [2,0,0,0,0,0|2,0,0]=4 549 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [2,0,0,0,0,0|2,0,0]=4 550 B10R0.85 CCNN=C(CO)[C@@H](O)CO 4a_100000756455_100015925426 [0,1,1,0,0,0|1,0,1]=4 551 B10R0.1 C#CCCNCC(O)COC 2230a_100000756049_100000688953 [0,1,1,0,0,0|1,0,1]=4 552 B10R0.1 C#CCCNCC(O)COC 34a_100000755551_100011215053 [0,1,1,0,0,0|1,0,1]=4 553 B10R0.1 C#CCCNCC(O)COC 34a_100000756049_100000688953 [0,1,1,0,0,0|1,0,1]=4 554 B10R0.1 C=CCCNCC(O)COC 2230a_100000756049_100000754431 [0,1,1,0,0,0|1,0,1]=4 555 B10R0.1 C=CCCNCC(O)COC 34a_100000756049_100000754431 [0,1,1,0,0,0|1,0,1]=4 556 B10R0.1 CCCC(C)CNCCCO 270004a_100000182051_100000243154 [0,1,1,0,0,0|2,0,0]=4 557 B10R0.1 CCCCNCC(O)COC 2230a_100000756049_100000210211 [0,1,1,0,0,0|1,0,0]=3 558 B10R0.1 CCCCNCC(O)COC 34a_100000756049_100000210210 [0,1,1,0,0,0|1,0,0]=3 559 B10R0.1 CCCCNCC(O)COC 7a_106832991798_100011215053 [0,1,1,0,0,0|1,0,0]=3 560 B10R0.1 CCCCNC[C@@H](O)CC#N 2230a_100000102301_100000001066 [0,1,1,0,0,0|2,0,0]=4 561 B10R0.1 CCCCNC[C@@H](O)CC#N 7a_106832991798_100000001066 [0,1,1,0,0,0|2,0,0]=4 562 B10R0.1 CCCCOCC(O)COC 34a_100000210227_100011215053 [0,1,1,0,0,0|2,0,0]=4 563 B10R0.1 CCCCOCC(O)COC 7a_100000210227_100011215053 [0,1,1,0,0,0|2,0,0]=4 564 B10R0.1 CCCCSCC(O)COC 62a_100000210211_100011215053 [0,1,1,0,0,0|2,0,0]=4 565 B10R0.1 CCCCSCC(O)COC 62a_100011215053_100000210210 [0,1,1,0,0,0|2,0,0]=4 566 B10R0.1 COCC(N)COCCCO 34a_100000724102_100000230001 [0,1,1,0,0,0|2,0,0]=4 567 B10R0.1 COCC(O)CNCCC#N 2230a_100000756049_100011215226 [0,1,1,0,0,0|1,0,1]=4 568 B10R0.1 COCC(O)CNCCCF 2230a_100000756049_100011934791 [0,1,1,0,0,0|1,0,0]=3 569 B10R0.1 COCC(O)CNCCCF 34a_100000756049_100011934791 [0,1,1,0,0,0|1,0,0]=3 570 B10R0.1 COCC(O)CNCCCF 34a_100015189416_100011215053 [0,1,1,0,0,0|1,0,0]=3 571 B10R0.1 COCC(O)CNCCCO 2230a_100000756049_100000230001 [0,1,1,0,0,0|0,0,0]=2 572 B10R0.1 COCC(O)CNCCCO 34a_100000756049_100000230001 [0,1,1,0,0,0|0,0,0]=2 573 B10R0.1 COCC(O)CNCCSC 2230a_100000756049_100000751147 [0,1,1,0,0,0|2,0,0]=4 574 B10R0.1 COCC(O)CNCCSC 34a_100000756049_100000212216 [0,1,1,0,0,0|2,0,0]=4 575 B10R0.1 COCC(O)COCCCBr 34a_100011217188_100011215053 [0,1,1,0,0,0|2,0,0]=4 576 B10R0.1 COCC(O)COCCCCl 34a_100000230001_100011215053 [0,1,1,0,0,0|2,0,0]=4 577 B10R0.1 COCC(O)COCCCF 34a_100000759539_100011215053 [0,1,1,0,0,0|2,0,0]=4 578 B10R0.1 COCC(O)COCCCN 34a_100000182051_100011215053 [0,1,1,0,0,0|2,0,0]=4 579 B10R0.1 COCC(O)CSCCCF 62a_100011215053_100011934791 [0,1,1,0,0,0|2,0,0]=4 580 B10R0.1 COCC(O)CSCCCF 62a_100011934791_100011215053 [0,1,1,0,0,0|2,0,0]=4 581 B10R0.1 COCC(O)CSCCCO 62a_100011215043_100011215053 [0,1,1,0,0,0|1,0,0]=3 582 B10R0.1 COCC(O)CSCCCO 62a_100011215053_100011215043 [0,1,1,0,0,0|1,0,0]=3 583 B10R0.1 COCCNCC(O)COC 2230a_100000756049_100011201679 [0,1,1,0,0,0|2,0,0]=4 584 B10R0.1 COCCNCC(O)COC 34a_100000756049_100011201679 [0,1,1,0,0,0|2,0,0]=4 585 B10R0.1 N#CC[C@H](O)CNCCCF 2230a_100015189416_100000001066 [0,1,1,0,0,0|2,0,0]=4 586 B10R0.1 N#CC[C@H](O)CSCCCO 62a_100000001066_100011215043 [0,1,1,0,0,0|2,0,0]=4 587 B10R0.1 N#CC[C@H](O)CSCCCO 62a_100011215043_100000001066 [0,1,1,0,0,0|2,0,0]=4 588 B10R0.18 C#CCCN(C)CC(O)CO 2230a_100011216503_100000688953 [0,1,1,0,0,0|1,0,1]=4 589 B10R0.18 C#CCCN(C)CC(O)CO 269982a_100011216503_100000730999 [0,1,1,0,0,0|1,0,1]=4 590 B10R0.18 C=CC(O)CN(C)CCCO 2230a_100000213112_100000730141 [0,1,1,0,0,0|1,0,1]=4 591 B10R0.18 C=CCCN(C)CC(O)CO 2230a_100011216503_100000754431 [0,1,1,0,0,0|1,0,1]=4 592 B10R0.18 C=CCCN(C)CC(O)CO 2230a_100020639649_100011219619 [0,1,1,0,0,0|1,0,1]=4 593 B10R0.18 C=CCCN(C)CC(O)CO 269982a_100011216503_100000754431 [0,1,1,0,0,0|1,0,1]=4 594 B10R0.18 C=CCCN(C)C[C@@H](O)CO 2230a_100020639649_100009815848 [0,1,1,0,0,0|1,0,1]=4 595 B10R0.18 CCC(C)CN(C)CCCO 2230a_100000213112_100000748023 [0,1,1,0,0,0|2,0,0]=4 596 B10R0.18 CCC(C)CN(C)CCCO 2230a_100000753921_100000230001 [0,1,1,0,0,0|2,0,0]=4 597 B10R0.18 CCC(C)CN(C)CCCO 269982a_100000213112_100000748023 [0,1,1,0,0,0|2,0,0]=4 598 B10R0.18 CCC(C)CN(C)CCCO 269982a_100000753921_100011215043 [0,1,1,0,0,0|2,0,0]=4 599 B10R0.18 CCC(C)CN(C)CCCO 270004a_100000213112_100000243153 [0,1,1,0,0,0|2,0,0]=4 600 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [0,1,1,0,0,0|2,0,0]=4 601 B10R0.18 CCC(O)CN(C)CCCO 2230a_100000213112_100011218378 [0,1,1,0,0,0|1,0,0]=3 602 B10R0.18 CCC(O)CN(C)CCCO 269982a_100000213112_100011218378 [0,1,1,0,0,0|1,0,0]=3 603 B10R0.18 CCCCN(C)CC(O)CC 2230a_100000207549_100011218378 [0,1,1,0,0,0|2,0,0]=4 604 B10R0.18 CCCCN(C)CC(O)CC 269982a_100000207549_100011218378 [0,1,1,0,0,0|2,0,0]=4 605 B10R0.18 CCCCN(C)CC(O)CO 2230a_100000207549_100011219619 [0,1,1,0,0,0|1,0,0]=3 606 B10R0.18 CCCCN(C)CC(O)CO 2230a_100011216503_100000210211 [0,1,1,0,0,0|1,0,0]=3 607 B10R0.18 CCCCN(C)CC(O)CO 269982a_100011216503_100000210211 [0,1,1,0,0,0|1,0,0]=3 608 B10R0.18 CCCCN(C)C[C@@H](C)CO 2230a_100000207549_100000059175 [0,1,1,0,0,0|2,0,0]=4 609 B10R0.18 CCCCN(C)C[C@@H](C)CO 269982a_100000207549_100000059175 [0,1,1,0,0,0|2,0,0]=4 610 B10R0.18 CCCCN(C)C[C@@H](O)CF 2230a_100000207549_100015614560 [0,1,1,0,0,0|2,0,0]=4 611 B10R0.18 CCCCN(C)C[C@@H](O)CO 2230a_100000207549_100009815848 [0,1,1,0,0,0|1,0,0]=3 612 B10R0.18 CCOCN(C)CC(O)CO 269982a_100011216503_100000739092 [0,1,1,0,0,0|2,0,0]=4 613 B10R0.18 CC[C@H](C)CN(C)CCCO 2230a_100000213112_100009816398 [0,1,1,0,0,0|2,0,0]=4 614 B10R0.18 CC[C@H](C)CN(C)CCCO 269982a_100000213112_100009816398 [0,1,1,0,0,0|2,0,0]=4 615 B10R0.18 CN(CCC#N)CC(O)CO 2230a_100000184479_100011219619 [0,1,1,0,0,0|1,0,1]=4 616 B10R0.18 CN(CCC#N)CC(O)CO 2230a_100011216503_100011215226 [0,1,1,0,0,0|1,0,1]=4 617 B10R0.18 CN(CCC#N)CC(O)CO 269982a_100011216503_100011215226 [0,1,1,0,0,0|1,0,1]=4 618 B10R0.18 CN(CCC#N)C[C@@H](O)CO 2230a_100000184479_100009815848 [0,1,1,0,0,0|1,0,1]=4 619 B10R0.18 CN(CCCF)CC(O)CO 2230a_100011216503_100011934791 [0,1,1,0,0,0|1,0,0]=3 620 B10R0.18 CN(CCCF)CC(O)CO 269982a_100011216503_100011934791 [0,1,1,0,0,0|1,0,0]=3 621 B10R0.18 CN(CCCO)CC(O)CO 2230a_100000213112_100011219619 [0,1,1,0,0,0|0,0,0]=2 622 B10R0.18 CN(CCCO)CC(O)CO 2230a_100011216503_100000230001 [0,1,1,0,0,0|0,0,0]=2 623 B10R0.18 CN(CCCO)CC(O)CO 269982a_100011216503_100011215043 [0,1,1,0,0,0|0,0,0]=2 624 B10R0.18 CN(CCCO)C[C@@H](O)CF 2230a_100000213112_100015614560 [0,1,1,0,0,0|1,0,0]=3 625 B10R0.18 CN(CCCO)C[C@@H](O)CO 2230a_100000213112_100009815848 [0,1,1,0,0,0|0,0,0]=2 626 B10R0.18 COCCN(C)CC(O)CO 2230a_100000743101_100011219619 [0,1,1,0,0,0|2,0,0]=4 627 B10R0.18 COCCN(C)CC(O)CO 2230a_100011216503_100011201679 [0,1,1,0,0,0|2,0,0]=4 628 B10R0.18 COCCN(C)CC(O)CO 269982a_100011216503_100000233755 [0,1,1,0,0,0|2,0,0]=4 629 B10R0.18 COCCN(C)C[C@@H](O)CO 2230a_100000743101_100009815848 [0,1,1,0,0,0|2,0,0]=4 630 B10R0.18 CSCCN(C)CC(O)CO 2230a_100000686725_100011219619 [0,1,1,0,0,0|2,0,0]=4 631 B10R0.18 CSCCN(C)CC(O)CO 2230a_100011216503_100000751147 [0,1,1,0,0,0|2,0,0]=4 632 B10R0.18 CSCCN(C)CC(O)CO 269982a_100011216503_100000212216 [0,1,1,0,0,0|2,0,0]=4 633 B10R0.18 CSCCN(C)C[C@@H](O)CO 2230a_100000686725_100009815848 [0,1,1,0,0,0|2,0,0]=4 634 B10R0.18 C[C@@H](CO)CN(C)CCCO 2230a_100000213112_100000059175 [0,1,1,0,0,0|1,0,0]=3 635 B10R0.18 C[C@@H](CO)CN(C)CCCO 269982a_100000213112_100000059175 [0,1,1,0,0,0|1,0,0]=3 636 B10R0.41 CCC(CC)CNCCCO 2230a_100102946423_100000230001 [0,1,1,0,0,0|2,0,0]=4 637 B10R0.41 CCC(CC)CNCCCO 269862a_100000182051_100000211137 [0,1,1,0,0,0|2,0,0]=4 638 B10R0.41 CCC(CC)CNCCCO 270004a_100000182051_100000211137 [0,1,1,0,0,0|2,0,0]=4 639 B10R0.41 CCC(COCCCO)OC 34a_100011934954_100000230001 [0,1,1,0,0,0|2,0,0]=4 640 B10R0.41 CCC(COCCCO)OC 7a_100011934954_100011215043 [0,1,1,0,0,0|2,0,0]=4 641 B10R0.41 COC(CNCCCO)OC 270004a_100000182051_100000752162 [0,1,1,0,0,0|2,0,0]=4 642 B10R0.41 OCCCCNC(CO)CO 2230a_100000759517_100000210776 [0,1,1,0,0,0|2,0,0]=4 643 B10R0.55 C=C(C)CCNC[C@H](O)CO 2230a_100020644852_100000730704 [0,1,1,0,0,0|1,0,1]=4 644 B10R0.55 C=CC(O)CNCCC(C)O 2230a_200000755665_100000730141 [0,1,1,0,0,0|1,0,1]=4 645 B10R0.55 CC(Br)CCOCC(O)CO 34a_100009893172_100011219619 [0,1,1,0,0,0|2,0,0]=4 646 B10R0.55 CC(Br)CCOC[C@@H](O)CO 34a_100009893172_100009815848 [0,1,1,0,0,0|2,0,0]=4 647 B10R0.55 CC(C)CCNCC(C)CO 269862a_100000744482_100000185833 [0,1,1,0,0,0|2,0,0]=4 648 B10R0.55 CC(C)CCNCC(C)CO 34a_100000744482_100000210312 [0,1,1,0,0,0|2,0,0]=4 649 B10R0.55 CC(C)CCNC[C@@H](F)CO 269862a_100015665980_100000185833 [0,1,1,0,0,0|2,0,0]=4 650 B10R0.55 CC(C)CCNC[C@@H](F)CO 34a_100015665980_100000210312 [0,1,1,0,0,0|2,0,0]=4 651 B10R0.55 CC(C)CCNC[C@H](O)CO 2230a_100020644852_100000210312 [0,1,1,0,0,0|1,0,0]=3 652 B10R0.55 CC(C)CCNC[C@H](O)CO 269862a_100020644852_100000185833 [0,1,1,0,0,0|1,0,0]=3 653 B10R0.55 CC(C)CCOCC(O)CO 34a_100000210254_100011219619 [0,1,1,0,0,0|2,0,0]=4 654 B10R0.55 CC(C)CCOCC(O)CO 7a_100000210254_100011219619 [0,1,1,0,0,0|2,0,0]=4 655 B10R0.55 CC(C)CCOC[C@@H](O)CO 34a_100000210254_100009815848 [0,1,1,0,0,0|2,0,0]=4 656 B10R0.55 CC(C)CCOC[C@@H](O)CO 7a_100000210254_100009815848 [0,1,1,0,0,0|2,0,0]=4 657 B10R0.55 CC(C)CCSCC(O)CO 62a_100000210312_100011219619 [0,1,1,0,0,0|2,0,0]=4 658 B10R0.55 CC(C)CCSCC(O)CO 62a_100011219619_100000210312 [0,1,1,0,0,0|2,0,0]=4 659 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100000210312_100009815848 [0,1,1,0,0,0|2,0,0]=4 660 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100009815848_100000210312 [0,1,1,0,0,0|2,0,0]=4 661 B10R0.55 CC(C)OCNC[C@H](O)CO 2230a_100020644852_100000709892 [0,1,1,0,0,0|2,0,0]=4 662 B10R0.55 CC(O)CCNCC(C)CO 34a_100000744482_100012276601 [0,1,1,0,0,0|1,0,0]=3 663 B10R0.55 CC(O)CCNCC(O)CO 2230a_200000755665_100011219619 [0,1,1,0,0,0|0,0,0]=2 664 B10R0.55 CC(O)CCNC[C@@H](C)CO 2230a_200000755665_100000059175 [0,1,1,0,0,0|1,0,0]=3 665 B10R0.55 CC(O)CCNC[C@@H](F)CO 34a_100015665980_100012276601 [0,1,1,0,0,0|1,0,0]=3 666 B10R0.55 CC(O)CCNC[C@@H](O)CF 2230a_200000755665_100015614560 [0,1,1,0,0,0|1,0,0]=3 667 B10R0.55 CC(O)CCNC[C@@H](O)CO 2230a_200000755665_100009815848 [0,1,1,0,0,0|0,0,0]=2 668 B10R0.55 CC(O)CCNC[C@H](O)CO 2230a_100020644852_100012276601 [0,1,1,0,0,0|0,0,0]=2 669 B10R0.55 CC(O)CCSCC(O)CO 62a_100011219619_100012276601 [0,1,1,0,0,0|1,0,0]=3 670 B10R0.55 CC(O)CCSCC(O)CO 62a_100012276601_100011219619 [0,1,1,0,0,0|1,0,0]=3 671 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100000059175_100012276601 [0,1,1,0,0,0|2,0,0]=4 672 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100012276601_100000059175 [0,1,1,0,0,0|2,0,0]=4 673 B10R0.55 CC(O)CCSC[C@@H](O)CF 62a_100012276601_100015614560 [0,1,1,0,0,0|2,0,0]=4 674 B10R0.55 CC(O)CCSC[C@@H](O)CF 62a_100015614560_100012276601 [0,1,1,0,0,0|2,0,0]=4 675 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100009815848_100012276601 [0,1,1,0,0,0|1,0,0]=3 676 B10R0.55 CC(O)CCSC[C@@H](O)CO 62a_100012276601_100009815848 [0,1,1,0,0,0|1,0,0]=3 677 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [0,1,1,0,0,0|2,0,0]=4 678 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [0,1,1,0,0,0|2,0,0]=4 679 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [0,1,1,0,0,0|2,0,0]=4 680 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [0,1,1,0,0,0|2,0,0]=4 681 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [0,1,1,0,0,0|2,0,0]=4 682 B10R0.55 CCC(O)CNCCC(C)O 2230a_100011218483_100012276601 [0,1,1,0,0,0|1,0,0]=3 683 B10R0.55 CCC(O)CNCCC(C)O 2230a_200000755665_100011218378 [0,1,1,0,0,0|1,0,0]=3 684 B10R0.55 CCC(O)CSCCC(C)O 62a_100011218378_100012276601 [0,1,1,0,0,0|2,0,0]=4 685 B10R0.55 CCC(O)CSCCC(C)O 62a_100012276601_100011218378 [0,1,1,0,0,0|2,0,0]=4 686 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [0,1,1,0,0,0|2,0,0]=4 687 B10R0.55 C[C@@H](N)CCOCC(O)CO 34a_100000706166_100011219619 [0,1,1,0,0,0|2,0,0]=4 688 B10R0.55 C[C@@H](N)CCOC[C@@H](O)CO 34a_100000706166_100009815848 [0,1,1,0,0,0|2,0,0]=4 689 B10R0.55 NC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000744528 [0,1,1,0,0,0|0,0,2]=4 690 B10R0.55 O=C(O)CONCC(O)CO 269956a_100000106656_100011219619 [0,1,1,0,0,0|1,0,1]=4 691 B10R0.55 O=C(O)CONC[C@@H](O)CO 269956a_100000106656_100009815848 [0,1,1,0,0,0|1,0,1]=4 692 B10R0.55 OCC(O)COCCC(F)F 34a_100103093639_100011219619 [0,1,1,0,0,0|2,0,0]=4 693 B10R0.55 OC[C@H](O)COCCC(F)F 34a_100103093639_100009815848 [0,1,1,0,0,0|2,0,0]=4 694 B10R0.59 C=CC(O)CNCC(C)CO 34a_100000744482_100000730141 [0,1,1,0,0,0|1,0,1]=4 695 B10R0.59 C=CC(O)CNC[C@@H](F)CO 34a_100015665980_100000730141 [0,1,1,0,0,0|1,0,1]=4 696 B10R0.59 C=CC(O)CNC[C@H](O)CO 2230a_100020644852_100000730141 [0,1,1,0,0,0|1,0,1]=4 697 B10R0.59 CC(CN)COCC(O)CO 34a_100000744482_100011219619 [0,1,1,0,0,0|2,0,0]=4 698 B10R0.59 CC(CN)COC[C@@H](O)CO 34a_100000744482_100009815848 [0,1,1,0,0,0|2,0,0]=4 699 B10R0.59 CC(CO)CNCC(O)CO 34a_100000744482_100011219619 [0,1,1,0,0,0|0,0,0]=2 700 B10R0.59 CC(CO)CNC[C@@H](C)CO 34a_100000744482_100000059175 [0,1,1,0,0,0|1,0,0]=3 701 B10R0.59 CC(CO)CNC[C@@H](O)CF 34a_100000744482_100015614560 [0,1,1,0,0,0|1,0,0]=3 702 B10R0.59 CC(CO)CNC[C@@H](O)CO 34a_100000744482_100009815848 [0,1,1,0,0,0|0,0,0]=2 703 B10R0.59 CCC(C)CNCC(C)CO 34a_100000744482_100000748023 [0,1,1,0,0,0|2,0,0]=4 704 B10R0.59 CCC(C)CNCC(O)CC 2230a_100011218483_100000748023 [0,1,1,0,0,0|2,0,0]=4 705 B10R0.59 CCC(C)CNCC(O)CC 2230a_100020588543_100011218378 [0,1,1,0,0,0|2,0,0]=4 706 B10R0.59 CCC(C)CNCC(O)CC 270004a_100011218483_100000243153 [0,1,1,0,0,0|2,0,0]=4 707 B10R0.59 CCC(C)CNCC(O)CO 2230a_100020588543_100011219619 [0,1,1,0,0,0|1,0,0]=3 708 B10R0.59 CCC(C)CNC[C@@H](C)CO 2230a_100020588543_100000059175 [0,1,1,0,0,0|2,0,0]=4 709 B10R0.59 CCC(C)CNC[C@@H](F)CO 270004a_100015665980_100000243153 [0,1,1,0,0,0|2,0,0]=4 710 B10R0.59 CCC(C)CNC[C@@H](F)CO 34a_100015665980_100000748023 [0,1,1,0,0,0|2,0,0]=4 711 B10R0.59 CCC(C)CNC[C@@H](O)CF 2230a_100020588543_100015614560 [0,1,1,0,0,0|2,0,0]=4 712 B10R0.59 CCC(C)CNC[C@@H](O)CO 2230a_100020588543_100009815848 [0,1,1,0,0,0|1,0,0]=3 713 B10R0.59 CCC(C)CNC[C@H](O)CO 2230a_100020644852_100000748023 [0,1,1,0,0,0|1,0,0]=3 714 B10R0.59 CCC(C)CSCC(O)CO 62a_100000748023_100011219619 [0,1,1,0,0,0|2,0,0]=4 715 B10R0.59 CCC(C)CSCC(O)CO 62a_100011219619_100000748023 [0,1,1,0,0,0|2,0,0]=4 716 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100000748023_100009815848 [0,1,1,0,0,0|2,0,0]=4 717 B10R0.59 CCC(C)CSC[C@@H](O)CO 62a_100009815848_100000748023 [0,1,1,0,0,0|2,0,0]=4 718 B10R0.59 CCC(O)CNCC(C)CO 34a_100000744482_100011218378 [0,1,1,0,0,0|1,0,0]=3 719 B10R0.59 CCC(O)CNCC(O)CC 2230a_100011218483_100011218378 [0,1,1,0,0,0|2,0,0]=4 720 B10R0.59 CCC(O)CNCC(O)CO 2230a_100011218483_100011219619 [0,1,1,0,0,0|1,0,0]=3 721 B10R0.59 CCC(O)CNC[C@@H](C)CC 2230a_100011218483_100009816398 [0,1,1,0,0,0|2,0,0]=4 722 B10R0.59 CCC(O)CNC[C@@H](C)CO 2230a_100011218483_100000059175 [0,1,1,0,0,0|1,0,0]=3 723 B10R0.59 CCC(O)CNC[C@@H](F)CO 34a_100015665980_100011218378 [0,1,1,0,0,0|1,0,0]=3 724 B10R0.59 CCC(O)CNC[C@@H](O)CF 2230a_100011218483_100015614560 [0,1,1,0,0,0|2,0,0]=4 725 B10R0.59 CCC(O)CNC[C@@H](O)CO 2230a_100011218483_100009815848 [0,1,1,0,0,0|1,0,0]=3 726 B10R0.59 CCC(O)CNC[C@H](O)CO 2230a_100020644852_100011218378 [0,1,1,0,0,0|1,0,0]=3 727 B10R0.59 CCC(O)CSCC(O)CO 62a_100011218378_100011219619 [0,1,1,0,0,0|2,0,0]=4 728 B10R0.59 CCC(O)CSCC(O)CO 62a_100011219619_100011218378 [0,1,1,0,0,0|2,0,0]=4 729 B10R0.59 CCC(O)CSC[C@@H](C)CO 62a_100000059175_100011218378 [0,1,1,0,0,0|2,0,0]=4 730 B10R0.59 CCC(O)CSC[C@@H](C)CO 62a_100011218378_100000059175 [0,1,1,0,0,0|2,0,0]=4 731 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100009815848_100011218378 [0,1,1,0,0,0|2,0,0]=4 732 B10R0.59 CCC(O)CSC[C@@H](O)CO 62a_100011218378_100009815848 [0,1,1,0,0,0|2,0,0]=4 733 B10R0.59 CC[C@H](C)CNCC(C)CO 34a_100000744482_100009816398 [0,1,1,0,0,0|2,0,0]=4 734 B10R0.59 CC[C@H](C)CNC[C@@H](F)CO 34a_100015665980_100009816398 [0,1,1,0,0,0|2,0,0]=4 735 B10R0.59 CC[C@H](C)CNC[C@H](O)CO 2230a_100020644852_100009816398 [0,1,1,0,0,0|1,0,0]=3 736 B10R0.59 CC[C@H](C)COCC(O)CO 7a_100009816381_100011219619 [0,1,1,0,0,0|2,0,0]=4 737 B10R0.59 CC[C@H](C)COC[C@@H](O)CO 7a_100009816381_100009815848 [0,1,1,0,0,0|2,0,0]=4 738 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100009816398_100011219619 [0,1,1,0,0,0|2,0,0]=4 739 B10R0.59 CC[C@H](C)CSCC(O)CO 62a_100011219619_100009816398 [0,1,1,0,0,0|2,0,0]=4 740 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009815848_100009816398 [0,1,1,0,0,0|2,0,0]=4 741 B10R0.59 CC[C@H](C)CSC[C@@H](O)CO 62a_100009816398_100009815848 [0,1,1,0,0,0|2,0,0]=4 742 B10R0.59 CO[C@H](C)CNCC(O)CO 2230a_100020591295_100011219619 [0,1,1,0,0,0|2,0,0]=4 743 B10R0.59 CO[C@H](C)CNC[C@@H](O)CO 2230a_100020591295_100009815848 [0,1,1,0,0,0|2,0,0]=4 744 B10R0.59 C[C@@H](CO)CNC[C@@H](F)CO 34a_100015665980_100000059175 [0,1,1,0,0,0|1,0,0]=3 745 B10R0.59 C[C@@H](CO)CNC[C@H](O)CO 2230a_100020644852_100000059175 [0,1,1,0,0,0|0,0,0]=2 746 B10R0.59 C[C@@H](CO)CSCC(O)CO 62a_100000059175_100011219619 [0,1,1,0,0,0|1,0,0]=3 747 B10R0.59 C[C@@H](CO)CSCC(O)CO 62a_100011219619_100000059175 [0,1,1,0,0,0|1,0,0]=3 748 B10R0.59 C[C@@H](CO)CSC[C@@H](C)CO 62a_100000059175_100000059175 [0,1,1,0,0,0|2,0,0]=4 749 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CF 62a_100000059175_100015614560 [0,1,1,0,0,0|2,0,0]=4 750 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CF 62a_100015614560_100000059175 [0,1,1,0,0,0|2,0,0]=4 751 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CO 62a_100000059175_100009815848 [0,1,1,0,0,0|1,0,0]=3 752 B10R0.59 C[C@@H](CO)CSC[C@@H](O)CO 62a_100009815848_100000059175 [0,1,1,0,0,0|1,0,0]=3 753 B10R0.59 NC[C@@H](F)COCC(O)CO 34a_100015665980_100011219619 [0,1,1,0,0,0|2,0,0]=4 754 B10R0.59 NC[C@@H](F)COC[C@@H](O)CO 34a_100015665980_100009815848 [0,1,1,0,0,0|2,0,0]=4 755 B10R0.59 OCC(O)CNC[C@@H](F)CO 34a_100015665980_100011219619 [0,1,1,0,0,0|0,0,0]=2 756 B10R0.59 OCC(O)COCC(Cl)CCl 34a_100000033668_100011219619 [0,1,1,0,0,0|2,0,0]=4 757 B10R0.59 OCC(O)CSCC(O)CO 62a_100011219619_100011219619 [0,1,1,0,0,0|1,0,0]=3 758 B10R0.59 OCC(O)CSC[C@@H](O)CF 62a_100011219619_100015614560 [0,1,1,0,0,0|2,0,0]=4 759 B10R0.59 OCC(O)CSC[C@@H](O)CF 62a_100015614560_100011219619 [0,1,1,0,0,0|2,0,0]=4 760 B10R0.59 OCC(O)CSC[C@@H](O)CO 62a_100009815848_100011219619 [0,1,1,0,0,0|1,0,0]=3 761 B10R0.59 OCC(O)CSC[C@@H](O)CO 62a_100011219619_100009815848 [0,1,1,0,0,0|1,0,0]=3 762 B10R0.59 OC[C@@H](O)CNC[C@@H](O)CF 2230a_100020644852_100015614560 [0,1,1,0,0,0|1,0,0]=3 763 B10R0.59 OC[C@H](F)CNC[C@@H](O)CF 34a_100015665980_100015614560 [0,1,1,0,0,0|1,0,0]=3 764 B10R0.59 OC[C@H](O)CNC[C@@H](F)CO 34a_100015665980_100009815848 [0,1,1,0,0,0|0,0,0]=2 765 B10R0.59 OC[C@H](O)COCC(Cl)CCl 34a_100000033668_100009815848 [0,1,1,0,0,0|2,0,0]=4 766 B10R0.59 OC[C@H](O)CSC[C@@H](O)CF 62a_100009815848_100015614560 [0,1,1,0,0,0|2,0,0]=4 767 B10R0.59 OC[C@H](O)CSC[C@@H](O)CF 62a_100015614560_100009815848 [0,1,1,0,0,0|2,0,0]=4 768 B10R0.59 OC[C@H](O)CSC[C@@H](O)CO 62a_100009815848_100009815848 [0,1,1,0,0,0|1,0,0]=3 769 B10R0.62 CC(C)(CO)CNCCCF 2230a_100020635058_100011934791 [0,1,1,0,0,0|2,0,0]=4 770 B10R0.62 CC(C)(CO)CNCCCF 34a_100015189416_100009813988 [0,1,1,0,0,0|2,0,0]=4 771 B10R0.62 CC(C)(CO)CNCCCO 2230a_100020635058_100000230001 [0,1,1,0,0,0|1,0,0]=3 772 B10R0.62 CC(C)(CO)CSCCCO 62a_100009813988_100011215043 [0,1,1,0,0,0|2,0,0]=4 773 B10R0.62 CC(C)(CO)CSCCCO 62a_100011215043_100009813988 [0,1,1,0,0,0|2,0,0]=4 774 B10R0.62 CCCCNCC(C)(C)CO 2230a_100020635058_100000210211 [0,1,1,0,0,0|2,0,0]=4 775 B10R0.62 CCCCNCC(C)(C)CO 7a_106832991798_100009813988 [0,1,1,0,0,0|2,0,0]=4 776 B10R0.74 C#CCCCNCC(C)CO 34a_100000744482_100000695029 [0,1,1,0,0,0|2,0,0]=4 777 B10R0.74 C#CCCCNCC(O)CC 2230a_100011218483_100000731252 [0,1,1,0,0,0|2,0,0]=4 778 B10R0.74 C#CCCCNCC(O)CC 34a_100000718082_100011218378 [0,1,1,0,0,0|2,0,0]=4 779 B10R0.74 C#CCCCNCC(O)CO 34a_100000718082_100011219619 [0,1,1,0,0,0|1,0,0]=3 780 B10R0.74 C#CCCCNC[C@@H](C)CO 34a_100000718082_100000059175 [0,1,1,0,0,0|2,0,0]=4 781 B10R0.74 C#CCCCNC[C@@H](F)CO 34a_100015665980_100000695029 [0,1,1,0,0,0|2,0,0]=4 782 B10R0.74 C#CCCCNC[C@@H](O)CF 34a_100000718082_100015614560 [0,1,1,0,0,0|2,0,0]=4 783 B10R0.74 C#CCCCNC[C@@H](O)CO 34a_100000718082_100009815848 [0,1,1,0,0,0|1,0,0]=3 784 B10R0.74 C#CCCCNC[C@H](O)CO 2230a_100020644852_100000731252 [0,1,1,0,0,0|1,0,0]=3 785 B10R0.74 C#CCCCOCC(O)CO 34a_100000215630_100011219619 [0,1,1,0,0,0|2,0,0]=4 786 B10R0.74 C#CCCCOCC(O)CO 7a_100000215630_100011219619 [0,1,1,0,0,0|2,0,0]=4 787 B10R0.74 C#CCCCOC[C@@H](O)CO 34a_100000215630_100009815848 [0,1,1,0,0,0|2,0,0]=4 788 B10R0.74 C#CCCCOC[C@@H](O)CO 7a_100000215630_100009815848 [0,1,1,0,0,0|2,0,0]=4 789 B10R0.74 C#CCCCSCC(O)CO 62a_100011215417_100011219619 [0,1,1,0,0,0|2,0,0]=4 790 B10R0.74 C#CCCCSCC(O)CO 62a_100011219619_100011215417 [0,1,1,0,0,0|2,0,0]=4 791 B10R0.74 C#CCCCSC[C@@H](O)CO 62a_100009815848_100011215417 [0,1,1,0,0,0|2,0,0]=4 792 B10R0.74 C#CCCCSC[C@@H](O)CO 62a_100011215417_100009815848 [0,1,1,0,0,0|2,0,0]=4 793 B10R0.74 C=CC(O)CNCCCCO 2230a_100000750430_100000730141 [0,1,1,0,0,0|1,0,1]=4 794 B10R0.74 C=CC(O)CNCCCCO 34a_100000750430_100000730141 [0,1,1,0,0,0|1,0,1]=4 795 B10R0.74 C=CC(O)CNCCCOC 34a_100150723488_100000730141 [0,1,1,0,0,0|1,0,1]=4 796 B10R0.74 C=CCCCNCC(C)CO 34a_100000744482_100000757094 [0,1,1,0,0,0|2,0,0]=4 797 B10R0.74 C=CCCCNCC(O)CC 2230a_100000700776_100011218378 [0,1,1,0,0,0|2,0,0]=4 798 B10R0.74 C=CCCCNCC(O)CC 2230a_100011218483_100011713584 [0,1,1,0,0,0|2,0,0]=4 799 B10R0.74 C=CCCCNCC(O)CC 34a_100000700776_100011218378 [0,1,1,0,0,0|2,0,0]=4 800 B10R0.74 C=CCCCNCC(O)CO 2230a_100000700776_100011219619 [0,1,1,0,0,0|1,0,0]=3 801 B10R0.74 C=CCCCNCC(O)CO 34a_100000700776_100011219619 [0,1,1,0,0,0|1,0,0]=3 802 B10R0.74 C=CCCCNC[C@@H](C)CO 2230a_100000700776_100000059175 [0,1,1,0,0,0|2,0,0]=4 803 B10R0.74 C=CCCCNC[C@@H](C)CO 34a_100000700776_100000059175 [0,1,1,0,0,0|2,0,0]=4 804 B10R0.74 C=CCCCNC[C@@H](F)CO 34a_100015665980_100000757094 [0,1,1,0,0,0|2,0,0]=4 805 B10R0.74 C=CCCCNC[C@@H](O)CF 2230a_100000700776_100015614560 [0,1,1,0,0,0|2,0,0]=4 806 B10R0.74 C=CCCCNC[C@@H](O)CF 34a_100000700776_100015614560 [0,1,1,0,0,0|2,0,0]=4 807 B10R0.74 C=CCCCNC[C@@H](O)CO 2230a_100000700776_100009815848 [0,1,1,0,0,0|1,0,0]=3 808 B10R0.74 C=CCCCNC[C@@H](O)CO 34a_100000700776_100009815848 [0,1,1,0,0,0|1,0,0]=3 809 B10R0.74 C=CCCCNC[C@H](O)CO 2230a_100020644852_100011713584 [0,1,1,0,0,0|1,0,0]=3 810 B10R0.74 C=CCCCOCC(O)CO 34a_100000758997_100011219619 [0,1,1,0,0,0|2,0,0]=4 811 B10R0.74 C=CCCCOCC(O)CO 7a_100000758997_100011219619 [0,1,1,0,0,0|2,0,0]=4 812 B10R0.74 C=CCCCOC[C@@H](O)CO 34a_100000758997_100009815848 [0,1,1,0,0,0|2,0,0]=4 813 B10R0.74 C=CCCCOC[C@@H](O)CO 7a_100000758997_100009815848 [0,1,1,0,0,0|2,0,0]=4 814 B10R0.74 C=CCCCSCC(O)CO 62a_100011219619_100000757094 [0,1,1,0,0,0|2,0,0]=4 815 B10R0.74 C=CCCCSCC(O)CO 62a_100011713584_100011219619 [0,1,1,0,0,0|2,0,0]=4 816 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100009815848_100000757094 [0,1,1,0,0,0|2,0,0]=4 817 B10R0.74 C=CCCCSC[C@@H](O)CO 62a_100011713584_100009815848 [0,1,1,0,0,0|2,0,0]=4 818 B10R0.74 C=COCCNC[C@H](O)CO 2230a_100020644852_100000039644 [0,1,1,0,0,0|1,0,1]=4 819 B10R0.74 CC(CO)CCNCCCF 2230a_106354213184_100011934791 [0,1,1,0,0,0|2,0,0]=4 820 B10R0.74 CC(CO)CCNCCCF 34a_106354213184_100011934791 [0,1,1,0,0,0|2,0,0]=4 821 B10R0.74 CC(CO)CCNCCCO 2230a_106354213184_100000230001 [0,1,1,0,0,0|1,0,0]=3 822 B10R0.74 CC(CO)CCNCCCO 34a_106354213184_100000230001 [0,1,1,0,0,0|1,0,0]=3 823 B10R0.74 CC(CO)CNCC#CCO 34a_100000744482_200000047223 [0,1,1,0,0,0|1,0,1]=4 824 B10R0.74 CC(CO)CNCCCCF 34a_100000744482_100000729493 [0,1,1,0,0,0|2,0,0]=4 825 B10R0.74 CC(CO)CNCCCCO 34a_100000744482_100011216708 [0,1,1,0,0,0|1,0,0]=3 826 B10R0.74 CC(CO)NCCCCCO 2230a_100000762737_100012180447 [0,1,1,0,0,0|2,0,0]=4 827 B10R0.74 CC(CO)NCCCCCO 34a_100000762737_100012180447 [0,1,1,0,0,0|2,0,0]=4 828 B10R0.74 CC(CO)SCCCCCO 62a_100012180447_100000746330 [0,1,1,0,0,0|2,0,0]=4 829 B10R0.74 CC/C=C\CNC[C@H](O)CO 2230a_100020644852_100103147603 [0,1,1,0,0,0|1,0,1]=4 830 B10R0.74 CCC#CCNC[C@H](O)CO 2230a_100020644852_100009813939 [0,1,1,0,0,0|1,0,1]=4 831 B10R0.74 CCC(C)CCNCCCO 2230a_100020591266_100000230001 [0,1,1,0,0,0|2,0,0]=4 832 B10R0.74 CCC(C)CNCCCCO 2230a_100000750430_100000748023 [0,1,1,0,0,0|2,0,0]=4 833 B10R0.74 CCC(C)CNCCCCO 2230a_100020588543_100000210776 [0,1,1,0,0,0|2,0,0]=4 834 B10R0.74 CCC(C)CNCCCCO 270004a_100000750430_100000243153 [0,1,1,0,0,0|2,0,0]=4 835 B10R0.74 CCC(C)CNCCCCO 34a_100000750430_100000748023 [0,1,1,0,0,0|2,0,0]=4 836 B10R0.74 CCC(C)CNCCCOC 2230a_100020588543_100000740836 [0,1,1,0,0,0|2,0,0]=4 837 B10R0.74 CCC(C)CNCCCOC 270004a_100150723488_100000243153 [0,1,1,0,0,0|2,0,0]=4 838 B10R0.74 CCC(C)CNCCCOC 34a_100150723488_100000748023 [0,1,1,0,0,0|2,0,0]=4 839 B10R0.74 CCC(O)CNCC#CCO 2230a_100011218483_200000047223 [0,1,1,0,0,0|1,0,1]=4 840 B10R0.74 CCC(O)CNCCCC#N 2230a_100011218483_100000687738 [0,1,1,0,0,0|2,0,0]=4 841 B10R0.74 CCC(O)CNCCCC=O 2230a_100011218483_200011292268 [0,1,1,0,0,0|1,0,1]=4 842 B10R0.74 CCC(O)CNCCCCF 2230a_100011218483_100000729493 [0,1,1,0,0,0|2,0,0]=4 843 B10R0.74 CCC(O)CNCCCCO 2230a_100000750430_100011218378 [0,1,1,0,0,0|1,0,0]=3 844 B10R0.74 CCC(O)CNCCCCO 2230a_100011218483_100000210776 [0,1,1,0,0,0|1,0,0]=3 845 B10R0.74 CCC(O)CNCCCCO 34a_100000750430_100011218378 [0,1,1,0,0,0|1,0,0]=3 846 B10R0.74 CCC(O)CNCCCOC 2230a_100011218483_100000740836 [0,1,1,0,0,0|1,0,0]=3 847 B10R0.74 CCC(O)CNCCCOC 34a_100150723488_100011218378 [0,1,1,0,0,0|1,0,0]=3 848 B10R0.74 CCC(O)CNCCCSC 2230a_100000749238_100011218378 [0,1,1,0,0,0|1,1,0]=4 849 B10R0.74 CCC(O)COCCCOC 34a_100000740835_100011218378 [0,1,1,0,0,0|2,0,0]=4 850 B10R0.74 CCC(O)CSCCCCO 62a_100000210776_100011218378 [0,1,1,0,0,0|2,0,0]=4 851 B10R0.74 CCC(O)CSCCCCO 62a_100011218378_100000210776 [0,1,1,0,0,0|2,0,0]=4 852 B10R0.74 CCC(O)CSCCCOC 62a_100000709357_100011218378 [0,1,1,0,0,0|2,0,0]=4 853 B10R0.74 CCC(O)CSCCCOC 62a_100011218378_100000709357 [0,1,1,0,0,0|2,0,0]=4 854 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,1,1,0,0,0|2,0,0]=4 855 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,1,1,0,0,0|2,0,0]=4 856 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,1,1,0,0,0|2,0,0]=4 857 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,1,1,0,0,0|1,0,0]=3 858 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,1,1,0,0,0|2,0,0]=4 859 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,1,1,0,0,0|2,0,0]=4 860 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,1,1,0,0,0|2,0,0]=4 861 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,1,1,0,0,0|1,0,0]=3 862 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,1,1,0,0,0|1,0,0]=3 863 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,1,1,0,0,0|2,0,0]=4 864 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,1,1,0,0,0|2,0,0]=4 865 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,1,1,0,0,0|2,0,0]=4 866 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,1,1,0,0,0|2,0,0]=4 867 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,1,1,0,0,0|2,0,0]=4 868 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,1,1,0,0,0|2,0,0]=4 869 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,1,1,0,0,0|2,0,0]=4 870 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,1,1,0,0,0|2,0,0]=4 871 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,1,1,0,0,0|2,0,0]=4 872 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,1,1,0,0,0|2,0,0]=4 873 B10R0.74 CCCCNN=CC(O)CO 4a_100025702795_100000033539 [0,1,1,0,0,0|1,0,1]=4 874 B10R0.74 CCOCCNCC(C)CO 34a_100000744482_100000210147 [0,1,1,0,0,0|2,0,0]=4 875 B10R0.74 CCOCCNCC(O)CC 2230a_100011218483_100011215890 [0,1,1,0,0,0|2,0,0]=4 876 B10R0.74 CCOCCNCC(O)CC 2230a_102516460346_100011218378 [0,1,1,0,0,0|2,0,0]=4 877 B10R0.74 CCOCCNCC(O)CC 34a_102516460346_100011218378 [0,1,1,0,0,0|2,0,0]=4 878 B10R0.74 CCOCCNCC(O)CO 2230a_102516460346_100011219619 [0,1,1,0,0,0|1,0,0]=3 879 B10R0.74 CCOCCNCC(O)CO 34a_102516460346_100011219619 [0,1,1,0,0,0|1,0,0]=3 880 B10R0.74 CCOCCNC[C@@H](C)CO 2230a_102516460346_100000059175 [0,1,1,0,0,0|2,0,0]=4 881 B10R0.74 CCOCCNC[C@@H](C)CO 34a_102516460346_100000059175 [0,1,1,0,0,0|2,0,0]=4 882 B10R0.74 CCOCCNC[C@@H](F)CO 34a_100015665980_100000210147 [0,1,1,0,0,0|2,0,0]=4 883 B10R0.74 CCOCCNC[C@@H](O)CF 2230a_102516460346_100015614560 [0,1,1,0,0,0|2,0,0]=4 884 B10R0.74 CCOCCNC[C@@H](O)CF 34a_102516460346_100015614560 [0,1,1,0,0,0|2,0,0]=4 885 B10R0.74 CCOCCNC[C@@H](O)CO 2230a_102516460346_100009815848 [0,1,1,0,0,0|1,0,0]=3 886 B10R0.74 CCOCCNC[C@@H](O)CO 34a_102516460346_100009815848 [0,1,1,0,0,0|1,0,0]=3 887 B10R0.74 CCOCCNC[C@H](O)CO 2230a_100020644852_100011215890 [0,1,1,0,0,0|1,0,0]=3 888 B10R0.74 CCOCCOCC(O)CO 34a_100000210136_100011219619 [0,1,1,0,0,0|2,0,0]=4 889 B10R0.74 CCOCCOCC(O)CO 7a_100000210136_100011219619 [0,1,1,0,0,0|2,0,0]=4 890 B10R0.74 CCOCCOC[C@@H](O)CO 34a_100000210136_100009815848 [0,1,1,0,0,0|2,0,0]=4 891 B10R0.74 CCOCCOC[C@@H](O)CO 7a_100000210136_100009815848 [0,1,1,0,0,0|2,0,0]=4 892 B10R0.74 CCOCCSCC(O)CO 62a_100000210147_100011219619 [0,1,1,0,0,0|2,0,0]=4 893 B10R0.74 CCOCCSCC(O)CO 62a_100011219619_100011215890 [0,1,1,0,0,0|2,0,0]=4 894 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100000210147_100009815848 [0,1,1,0,0,0|2,0,0]=4 895 B10R0.74 CCOCCSC[C@@H](O)CO 62a_100009815848_100011215890 [0,1,1,0,0,0|2,0,0]=4 896 B10R0.74 CCSCCNCC(C)CO 34a_100000744482_100000757381 [0,1,1,0,0,0|2,0,0]=4 897 B10R0.74 CCSCCNCC(O)CC 2230a_100000106463_100011218378 [0,1,1,0,0,0|2,0,0]=4 898 B10R0.74 CCSCCNCC(O)CC 2230a_100011218483_100000757381 [0,1,1,0,0,0|2,0,0]=4 899 B10R0.74 CCSCCNCC(O)CO 2230a_100000106463_100011219619 [0,1,1,0,0,0|1,0,0]=3 900 B10R0.74 CCSCCNC[C@@H](C)CO 2230a_100000106463_100000059175 [0,1,1,0,0,0|2,0,0]=4 901 B10R0.74 CCSCCNC[C@@H](F)CO 34a_100015665980_100000757381 [0,1,1,0,0,0|2,0,0]=4 902 B10R0.74 CCSCCNC[C@@H](O)CF 2230a_100000106463_100015614560 [0,1,1,0,0,0|2,0,0]=4 903 B10R0.74 CCSCCNC[C@@H](O)CO 2230a_100000106463_100009815848 [0,1,1,0,0,0|1,0,0]=3 904 B10R0.74 CCSCCNC[C@H](O)CO 2230a_100020644852_100000757381 [0,1,1,0,0,0|1,0,0]=3 905 B10R0.74 CCSCCOCC(O)CO 34a_100000212035_100011219619 [0,1,1,0,0,0|2,0,0]=4 906 B10R0.74 CCSCCOCC(O)CO 7a_100000212035_100011219619 [0,1,1,0,0,0|2,0,0]=4 907 B10R0.74 CCSCCOC[C@@H](O)CO 34a_100000212035_100009815848 [0,1,1,0,0,0|2,0,0]=4 908 B10R0.74 CCSCCOC[C@@H](O)CO 7a_100000212035_100009815848 [0,1,1,0,0,0|2,0,0]=4 909 B10R0.74 CCSCCSCC(O)CO 62a_100000757381_100011219619 [0,1,1,0,0,0|2,0,0]=4 910 B10R0.74 CCSCCSCC(O)CO 62a_100011219619_100000757381 [0,1,1,0,0,0|2,0,0]=4 911 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100000757381_100009815848 [0,1,1,0,0,0|2,0,0]=4 912 B10R0.74 CCSCCSC[C@@H](O)CO 62a_100009815848_100000757381 [0,1,1,0,0,0|2,0,0]=4 913 B10R0.74 CC[C@H](C)CNCCCCO 2230a_100000750430_100009816398 [0,1,1,0,0,0|2,0,0]=4 914 B10R0.74 CC[C@H](C)CNCCCCO 34a_100000750430_100009816398 [0,1,1,0,0,0|2,0,0]=4 915 B10R0.74 CC[C@H](C)CNCCCOC 34a_100150723488_100009816398 [0,1,1,0,0,0|2,0,0]=4 916 B10R0.74 CNCCCOCC(O)CO 34a_100000213112_100011219619 [0,1,1,0,0,0|2,0,0]=4 917 B10R0.74 CNCCCOC[C@@H](O)CO 34a_100000213112_100009815848 [0,1,1,0,0,0|2,0,0]=4 918 B10R0.74 COCCCNCC(C)CO 34a_100000744482_100000740836 [0,1,1,0,0,0|1,0,0]=3 919 B10R0.74 COCCCNCC(O)CO 34a_100150723488_100011219619 [0,1,1,0,0,0|0,0,0]=2 920 B10R0.74 COCCCNC[C@@H](C)CO 34a_100150723488_100000059175 [0,1,1,0,0,0|1,0,0]=3 921 B10R0.74 COCCCNC[C@@H](F)CO 34a_100015665980_100000740836 [0,1,1,0,0,0|1,0,0]=3 922 B10R0.74 COCCCNC[C@@H](O)CF 34a_100150723488_100015614560 [0,1,1,0,0,0|1,0,0]=3 923 B10R0.74 COCCCNC[C@@H](O)CO 34a_100150723488_100009815848 [0,1,1,0,0,0|0,0,0]=2 924 B10R0.74 COCCCNC[C@H](O)CO 2230a_100020644852_100000740836 [0,1,1,0,0,0|0,0,0]=2 925 B10R0.74 COCCCOCC(O)CO 34a_100000740835_100011219619 [0,1,1,0,0,0|1,0,0]=3 926 B10R0.74 COCCCOC[C@@H](C)CO 34a_100000740835_100000059175 [0,1,1,0,0,0|2,0,0]=4 927 B10R0.74 COCCCOC[C@@H](O)CF 34a_100000740835_100015614560 [0,1,1,0,0,0|2,0,0]=4 928 B10R0.74 COCCCOC[C@@H](O)CO 34a_100000740835_100009815848 [0,1,1,0,0,0|1,0,0]=3 929 B10R0.74 COCCCSCC(O)CO 62a_100000709357_100011219619 [0,1,1,0,0,0|1,0,0]=3 930 B10R0.74 COCCCSCC(O)CO 62a_100011219619_100000709357 [0,1,1,0,0,0|1,0,0]=3 931 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000059175_100000709357 [0,1,1,0,0,0|2,0,0]=4 932 B10R0.74 COCCCSC[C@@H](C)CO 62a_100000709357_100000059175 [0,1,1,0,0,0|2,0,0]=4 933 B10R0.74 COCCCSC[C@@H](O)CF 62a_100000709357_100015614560 [0,1,1,0,0,0|2,0,0]=4 934 B10R0.74 COCCCSC[C@@H](O)CF 62a_100015614560_100000709357 [0,1,1,0,0,0|2,0,0]=4 935 B10R0.74 COCCCSC[C@@H](O)CO 62a_100000709357_100009815848 [0,1,1,0,0,0|1,0,0]=3 936 B10R0.74 COCCCSC[C@@H](O)CO 62a_100009815848_100000709357 [0,1,1,0,0,0|1,0,0]=3 937 B10R0.74 CSCCCNCC(O)CO 2230a_100000749238_100011219619 [0,1,1,0,0,0|0,1,0]=3 938 B10R0.74 CSCCCNC[C@@H](C)CO 2230a_100000749238_100000059175 [0,1,1,0,0,0|1,1,0]=4 939 B10R0.74 CSCCCNC[C@@H](O)CF 2230a_100000749238_100015614560 [0,1,1,0,0,0|1,1,0]=4 940 B10R0.74 CSCCCNC[C@@H](O)CO 2230a_100000749238_100009815848 [0,1,1,0,0,0|0,1,0]=3 941 B10R0.74 CSCCCOCC(O)CO 34a_100000690336_100011219619 [0,1,1,0,0,0|1,1,0]=4 942 B10R0.74 CSCCCOCC(O)CO 7a_100000690336_100011219619 [0,1,1,0,0,0|1,1,0]=4 943 B10R0.74 CSCCCOC[C@@H](O)CO 34a_100000690336_100009815848 [0,1,1,0,0,0|1,1,0]=4 944 B10R0.74 CSCCCOC[C@@H](O)CO 7a_100000690336_100009815848 [0,1,1,0,0,0|1,1,0]=4 945 B10R0.74 C[C@@H](CO)CNCCCCO 2230a_100000750430_100000059175 [0,1,1,0,0,0|1,0,0]=3 946 B10R0.74 C[C@@H](CO)CNCCCCO 34a_100000750430_100000059175 [0,1,1,0,0,0|1,0,0]=3 947 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000059175_100000210776 [0,1,1,0,0,0|2,0,0]=4 948 B10R0.74 C[C@@H](CO)CSCCCCO 62a_100000210776_100000059175 [0,1,1,0,0,0|2,0,0]=4 949 B10R0.74 C[C@H](CO)NCCCCCO 2230a_100000737577_100000746330 [0,1,1,0,0,0|2,0,0]=4 950 B10R0.74 C[C@H](CO)SCCCCCO 62a_100000746330_100016084084 [0,1,1,0,0,0|2,0,0]=4 951 B10R0.74 C[C@H](CO)SCCCCCO 62a_100016084084_100000746330 [0,1,1,0,0,0|2,0,0]=4 952 B10R0.74 N#CCCCNC[C@H](O)CO 2230a_100020644852_100000687738 [0,1,1,0,0,0|1,0,0]=3 953 B10R0.74 N#CCCCSCC(O)CO 62a_100000687738_100011219619 [0,1,1,0,0,0|2,0,0]=4 954 B10R0.74 N#CCCCSCC(O)CO 62a_100011219619_100000687738 [0,1,1,0,0,0|2,0,0]=4 955 B10R0.74 N#CCCCSC[C@@H](O)CO 62a_100000687738_100009815848 [0,1,1,0,0,0|2,0,0]=4 956 B10R0.74 N#CCCCSC[C@@H](O)CO 62a_100009815848_100000687738 [0,1,1,0,0,0|2,0,0]=4 957 B10R0.74 NCCCCOCC(O)CO 34a_100000750430_100011219619 [0,1,1,0,0,0|2,0,0]=4 958 B10R0.74 NCCCCOC[C@@H](O)CO 34a_100000750430_100009815848 [0,1,1,0,0,0|2,0,0]=4 959 B10R0.74 O=CCCCNC[C@H](O)CO 2230a_100020644852_200011292268 [0,1,1,0,0,0|0,0,1]=3 960 B10R0.74 O=CCCCSCC(O)CO 62a_100011219619_200011292268 [0,1,1,0,0,0|1,0,1]=4 961 B10R0.74 O=CCCCSCC(O)CO 62a_200011292268_100011219619 [0,1,1,0,0,0|1,0,1]=4 962 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_100009815848_200011292268 [0,1,1,0,0,0|1,0,1]=4 963 B10R0.74 O=CCCCSC[C@@H](O)CO 62a_200011292268_100009815848 [0,1,1,0,0,0|1,0,1]=4 964 B10R0.74 OCC#CCNC[C@@H](F)CO 34a_100015665980_200000047223 [0,1,1,0,0,0|1,0,1]=4 965 B10R0.74 OCC#CCNC[C@H](O)CO 2230a_100020644852_200000047223 [0,1,1,0,0,0|0,0,1]=3 966 B10R0.74 OCC#CCSCC(O)CO 62a_100011219619_200000047223 [0,1,1,0,0,0|1,0,1]=4 967 B10R0.74 OCC#CCSCC(O)CO 62a_200000047223_100011219619 [0,1,1,0,0,0|1,0,1]=4 968 B10R0.74 OCC#CCSC[C@@H](O)CO 62a_100009815848_200000047223 [0,1,1,0,0,0|1,0,1]=4 969 B10R0.74 OCC#CCSC[C@@H](O)CO 62a_200000047223_100009815848 [0,1,1,0,0,0|1,0,1]=4 970 B10R0.74 OCC(O)COCCCCBr 34a_100011216708_100011219619 [0,1,1,0,0,0|2,0,0]=4 971 B10R0.74 OCC(O)COCCCCCl 34a_100000210776_100011219619 [0,1,1,0,0,0|2,0,0]=4 972 B10R0.74 OCC(O)COCCCCCl 7a_100000210776_100011219619 [0,1,1,0,0,0|2,0,0]=4 973 B10R0.74 OCC(O)COCCCCF 34a_100011995726_100011219619 [0,1,1,0,0,0|2,0,0]=4 974 B10R0.74 OCC(O)COCCCCF 7a_100011995726_100011219619 [0,1,1,0,0,0|2,0,0]=4 975 B10R0.74 OCC(O)COCCCCI 34a_200012148704_100011219619 [0,1,1,0,0,0|2,0,0]=4 976 B10R0.74 OCC(O)CSCCCCF 62a_100000729493_100011219619 [0,1,1,0,0,0|2,0,0]=4 977 B10R0.74 OCC(O)CSCCCCF 62a_100011219619_100000729493 [0,1,1,0,0,0|2,0,0]=4 978 B10R0.74 OCCCCNCC(O)CO 2230a_100000750430_100011219619 [0,1,1,0,0,0|0,0,0]=2 979 B10R0.74 OCCCCNCC(O)CO 34a_100000750430_100011219619 [0,1,1,0,0,0|0,0,0]=2 980 B10R0.74 OCCCCNC[C@@H](F)CO 34a_100015665980_100011216708 [0,1,1,0,0,0|1,0,0]=3 981 B10R0.74 OCCCCNC[C@@H](O)CF 2230a_100000750430_100015614560 [0,1,1,0,0,0|1,0,0]=3 982 B10R0.74 OCCCCNC[C@@H](O)CF 34a_100000750430_100015614560 [0,1,1,0,0,0|1,0,0]=3 983 B10R0.74 OCCCCNC[C@@H](O)CO 2230a_100000750430_100009815848 [0,1,1,0,0,0|0,0,0]=2 984 B10R0.74 OCCCCNC[C@@H](O)CO 34a_100000750430_100009815848 [0,1,1,0,0,0|0,0,0]=2 985 B10R0.74 OCCCCNC[C@H](O)CO 2230a_100020644852_100000210776 [0,1,1,0,0,0|0,0,0]=2 986 B10R0.74 OCCCCSCC(O)CO 62a_100000210776_100011219619 [0,1,1,0,0,0|1,0,0]=3 987 B10R0.74 OCCCCSCC(O)CO 62a_100011219619_100000210776 [0,1,1,0,0,0|1,0,0]=3 988 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100000210776_100015614560 [0,1,1,0,0,0|2,0,0]=4 989 B10R0.74 OCCCCSC[C@@H](O)CF 62a_100015614560_100000210776 [0,1,1,0,0,0|2,0,0]=4 990 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100000210776_100009815848 [0,1,1,0,0,0|1,0,0]=3 991 B10R0.74 OCCCCSC[C@@H](O)CO 62a_100009815848_100000210776 [0,1,1,0,0,0|1,0,0]=3 992 B10R0.74 OC[C@@H](O)CNCCCCF 2230a_100020644852_100000729493 [0,1,1,0,0,0|1,0,0]=3 993 B10R0.74 OC[C@H](F)CNCCCCF 34a_100015665980_100000729493 [0,1,1,0,0,0|2,0,0]=4 994 B10R0.74 OC[C@H](O)COCCCCBr 34a_100011216708_100009815848 [0,1,1,0,0,0|2,0,0]=4 995 B10R0.74 OC[C@H](O)COCCCCCl 34a_100000210776_100009815848 [0,1,1,0,0,0|2,0,0]=4 996 B10R0.74 OC[C@H](O)COCCCCCl 7a_100000210776_100009815848 [0,1,1,0,0,0|2,0,0]=4 997 B10R0.74 OC[C@H](O)COCCCCF 34a_100011995726_100009815848 [0,1,1,0,0,0|2,0,0]=4 998 B10R0.74 OC[C@H](O)COCCCCF 7a_100011995726_100009815848 [0,1,1,0,0,0|2,0,0]=4 999 B10R0.74 OC[C@H](O)COCCCCI 34a_200012148704_100009815848 [0,1,1,0,0,0|2,0,0]=4 1000 B10R0.74 OC[C@H](O)CSCCCCF 62a_100000729493_100009815848 [0,1,1,0,0,0|2,0,0]=4 1001 B10R0.74 OC[C@H](O)CSCCCCF 62a_100009815848_100000729493 [0,1,1,0,0,0|2,0,0]=4 1002 B10R0.75 CC(C)C(O)CNCCCF 2230a_100000759067_100011934791 [0,1,1,0,0,0|2,0,0]=4 1003 B10R0.75 CC(C)C(O)CNCCCF 34a_100000759067_100011934791 [0,1,1,0,0,0|2,0,0]=4 1004 B10R0.75 CC(C)C(O)CNCCCO 2230a_100000759067_100000230001 [0,1,1,0,0,0|1,0,0]=3 1005 B10R0.75 CC(C)C(O)CNCCCO 34a_100000759067_100000230001 [0,1,1,0,0,0|1,0,0]=3 1006 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,1,1,0,0,0|1,0,1]=4 1007 B10R0.75 CCCCNCC(O)C(C)C 2230a_100000759067_100000210211 [0,1,1,0,0,0|2,0,0]=4 1008 B10R0.75 CCCCNCC(O)C(C)C 34a_100000759067_100000210210 [0,1,1,0,0,0|2,0,0]=4 1009 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,1,1,0,0,0|1,0,1]=4 1010 B10R0.83 CCC(C)C(C)NCCCO 269862a_100000182051_100000210599 [0,1,1,0,0,0|2,0,0]=4 1011 B10R0.83 CCC(C)C(C)NCCCO 270004a_100000182051_100000210599 [0,1,1,0,0,0|2,0,0]=4 1012 B10R0.83 CCC(O)C(=O)NCCCO 240690a_100000182051_100011196387 [0,1,1,0,0,0|1,0,1]=4 1013 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [0,1,1,0,0,0|1,0,1]=4 1014 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [0,1,1,0,0,0|1,0,1]=4 1015 B10R0.83 O=C(NCCCF)C(O)CO 240690a_100015189416_100011215603 [0,1,1,0,0,0|1,0,1]=4 1016 B10R0.83 O=C(NCCCO)C(O)CO 240690a_100000182051_100011215603 [0,1,1,0,0,0|0,0,1]=3 1017 B10R0.108 C=CC(O)CN[C@H](C)CCO 2230a_100000706166_100000730141 [0,1,1,0,0,0|1,0,1]=4 1018 B10R0.108 C=CC(O)CN[C@H](C)CCO 34a_100000706166_100000730141 [0,1,1,0,0,0|1,0,1]=4 1019 B10R0.108 CC(CC#N)NC[C@H](O)CO 2230a_100020644852_100009813641 [0,1,1,0,0,0|1,0,1]=4 1020 B10R0.108 CC(CCBr)OCC(O)CO 34a_100012276601_100011219619 [0,1,1,0,0,0|2,0,0]=4 1021 B10R0.108 CC(CCBr)OC[C@@H](O)CO 34a_100012276601_100009815848 [0,1,1,0,0,0|2,0,0]=4 1022 B10R0.108 CC(CCO)NC[C@@H](F)CO 34a_100015665980_100009893172 [0,1,1,0,0,0|1,0,0]=3 1023 B10R0.108 CC(CCO)NC[C@H](O)CO 2230a_100020644852_100009893172 [0,1,1,0,0,0|0,0,0]=2 1024 B10R0.108 CC(CCO)SCC(O)CO 62a_100009893172_100011219619 [0,1,1,0,0,0|1,0,0]=3 1025 B10R0.108 CC(CCO)SCC(O)CO 62a_100011219619_100009893172 [0,1,1,0,0,0|1,0,0]=3 1026 B10R0.108 CC(CCO)SC[C@@H](C)CO 62a_100000059175_100009893172 [0,1,1,0,0,0|2,0,0]=4 1027 B10R0.108 CC(CCO)SC[C@@H](C)CO 62a_100009893172_100000059175 [0,1,1,0,0,0|2,0,0]=4 1028 B10R0.108 CC(CCO)SC[C@@H](O)CF 62a_100009893172_100015614560 [0,1,1,0,0,0|2,0,0]=4 1029 B10R0.108 CC(CCO)SC[C@@H](O)CF 62a_100015614560_100009893172 [0,1,1,0,0,0|2,0,0]=4 1030 B10R0.108 CC(CCO)SC[C@@H](O)CO 62a_100009815848_100009893172 [0,1,1,0,0,0|1,0,0]=3 1031 B10R0.108 CC(CCO)SC[C@@H](O)CO 62a_100009893172_100009815848 [0,1,1,0,0,0|1,0,0]=3 1032 B10R0.108 CC(CO)CNC(=O)CCO 240690a_100000744482_100011216618 [0,1,1,0,0,0|1,0,1]=4 1033 B10R0.108 CC(CO)CNC(C)CCO 34a_100000744482_100009893172 [0,1,1,0,0,0|1,0,0]=3 1034 B10R0.108 CCC(C)CNC(C)CCO 2230a_100020588543_100009893172 [0,1,1,0,0,0|2,0,0]=4 1035 B10R0.108 CCC(C)CN[C@H](C)CCO 2230a_100000706166_100000748023 [0,1,1,0,0,0|2,0,0]=4 1036 B10R0.108 CCC(C)CN[C@H](C)CCO 270004a_100000706166_100000243153 [0,1,1,0,0,0|2,0,0]=4 1037 B10R0.108 CCC(C)CN[C@H](C)CCO 34a_100000706166_100000748023 [0,1,1,0,0,0|2,0,0]=4 1038 B10R0.108 CCC(O)CNC(=O)CCO 240690a_100011218483_100011216618 [0,1,1,0,0,0|1,0,1]=4 1039 B10R0.108 CCC(O)CNC(C)CCO 2230a_100011218483_100009893172 [0,1,1,0,0,0|1,0,0]=3 1040 B10R0.108 CCC(O)CN[C@H](C)CCO 2230a_100000706166_100011218378 [0,1,1,0,0,0|1,0,0]=3 1041 B10R0.108 CCC(O)CN[C@H](C)CCO 34a_100000706166_100011218378 [0,1,1,0,0,0|1,0,0]=3 1042 B10R0.108 CCC(O)CSC(C)CCO 62a_100009893172_100011218378 [0,1,1,0,0,0|2,0,0]=4 1043 B10R0.108 CCC(O)CSC(C)CCO 62a_100011218378_100009893172 [0,1,1,0,0,0|2,0,0]=4 1044 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [0,1,1,0,0,0|1,0,1]=4 1045 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [0,1,1,0,0,0|1,0,1]=4 1046 B10R0.108 CCCC(C)NCC(C)CO 34a_100000744482_100000766640 [0,1,1,0,0,0|2,0,0]=4 1047 B10R0.108 CCCC(C)NCC(O)CC 2230a_100000741246_100011218378 [0,1,1,0,0,0|2,0,0]=4 1048 B10R0.108 CCCC(C)NCC(O)CC 2230a_100011218483_100000766640 [0,1,1,0,0,0|2,0,0]=4 1049 B10R0.108 CCCC(C)NCC(O)CC 270004a_100011218483_100000211909 [0,1,1,0,0,0|2,0,0]=4 1050 B10R0.108 CCCC(C)NCC(O)CO 2230a_100000741246_100011219619 [0,1,1,0,0,0|1,0,0]=3 1051 B10R0.108 CCCC(C)NC[C@@H](C)CO 2230a_100000741246_100000059175 [0,1,1,0,0,0|2,0,0]=4 1052 B10R0.108 CCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000211909 [0,1,1,0,0,0|2,0,0]=4 1053 B10R0.108 CCCC(C)NC[C@@H](F)CO 34a_100015665980_100000766640 [0,1,1,0,0,0|2,0,0]=4 1054 B10R0.108 CCCC(C)NC[C@@H](O)CF 2230a_100000741246_100015614560 [0,1,1,0,0,0|2,0,0]=4 1055 B10R0.108 CCCC(C)NC[C@@H](O)CO 2230a_100000741246_100009815848 [0,1,1,0,0,0|1,0,0]=3 1056 B10R0.108 CCCC(C)NC[C@H](O)CO 2230a_100020644852_100000766640 [0,1,1,0,0,0|1,0,0]=3 1057 B10R0.108 CCCC(C)OCC(O)CO 34a_100000764384_100011219619 [0,1,1,0,0,0|2,0,0]=4 1058 B10R0.108 CCCC(C)OCC(O)CO 7a_100000764384_100011219619 [0,1,1,0,0,0|2,0,0]=4 1059 B10R0.108 CCCC(C)OC[C@@H](O)CO 34a_100000764384_100009815848 [0,1,1,0,0,0|2,0,0]=4 1060 B10R0.108 CCCC(C)OC[C@@H](O)CO 7a_100000764384_100009815848 [0,1,1,0,0,0|2,0,0]=4 1061 B10R0.108 CCCC(C)SCC(O)CO 62a_100000766640_100011219619 [0,1,1,0,0,0|2,0,0]=4 1062 B10R0.108 CCCC(C)SCC(O)CO 62a_100011219619_100000766640 [0,1,1,0,0,0|2,0,0]=4 1063 B10R0.108 CCCC(C)SC[C@@H](O)CO 62a_100000766640_100009815848 [0,1,1,0,0,0|2,0,0]=4 1064 B10R0.108 CCCC(C)SC[C@@H](O)CO 62a_100009815848_100000766640 [0,1,1,0,0,0|2,0,0]=4 1065 B10R0.108 CC[C@H](C)CN[C@H](C)CCO 2230a_100000706166_100009816398 [0,1,1,0,0,0|2,0,0]=4 1066 B10R0.108 CC[C@H](C)CN[C@H](C)CCO 34a_100000706166_100009816398 [0,1,1,0,0,0|2,0,0]=4 1067 B10R0.108 COCC(C)NC[C@H](O)CO 2230a_100020644852_100000765312 [0,1,1,0,0,0|2,0,0]=4 1068 B10R0.108 COC[C@@H](C)NCC(O)CO 2230a_100000764878_100011219619 [0,1,1,0,0,0|2,0,0]=4 1069 B10R0.108 COC[C@@H](C)NC[C@@H](O)CO 2230a_100000764878_100009815848 [0,1,1,0,0,0|2,0,0]=4 1070 B10R0.108 C[C@@H](CC#N)NCC(O)CO 2230a_100016994482_100011219619 [0,1,1,0,0,0|1,0,1]=4 1071 B10R0.108 C[C@@H](CC#N)NC[C@@H](O)CO 2230a_100016994482_100009815848 [0,1,1,0,0,0|1,0,1]=4 1072 B10R0.108 C[C@@H](CO)CN[C@H](C)CCO 2230a_100000706166_100000059175 [0,1,1,0,0,0|1,0,0]=3 1073 B10R0.108 C[C@@H](CO)CN[C@H](C)CCO 34a_100000706166_100000059175 [0,1,1,0,0,0|1,0,0]=3 1074 B10R0.108 C[C@H](CCO)NCC(O)CO 2230a_100000706166_100011219619 [0,1,1,0,0,0|0,0,0]=2 1075 B10R0.108 C[C@H](CCO)NCC(O)CO 34a_100000706166_100011219619 [0,1,1,0,0,0|0,0,0]=2 1076 B10R0.108 C[C@H](CCO)NC[C@@H](O)CF 2230a_100000706166_100015614560 [0,1,1,0,0,0|1,0,0]=3 1077 B10R0.108 C[C@H](CCO)NC[C@@H](O)CF 34a_100000706166_100015614560 [0,1,1,0,0,0|1,0,0]=3 1078 B10R0.108 C[C@H](CCO)NC[C@@H](O)CO 2230a_100000706166_100009815848 [0,1,1,0,0,0|0,0,0]=2 1079 B10R0.108 C[C@H](CCO)NC[C@@H](O)CO 34a_100000706166_100009815848 [0,1,1,0,0,0|0,0,0]=2 1080 B10R0.108 O=C(CCO)NC[C@@H](F)CO 240690a_100015665980_100011216618 [0,1,1,0,0,0|1,0,1]=4 1081 B10R0.108 O=C(CCO)NC[C@H](O)CO 240690a_100020644852_100011216618 [0,1,1,0,0,0|0,0,1]=3 1082 B10R0.21 CCC(CC)C(C)NCCO 269862a_100000210304_100011393642 [0,1,1,0,0,0|2,0,0]=4 1083 B10R0.21 CCC(CC)C(C)NCCO 270004a_100000210304_100011393642 [0,1,1,0,0,0|2,0,0]=4 1084 B10R0.24 CCOC(CC)CNCCO 2230a_100015183923_100000211926 [0,1,1,0,0,0|2,0,0]=4 1085 B10R0.24 CCOC(CC)CNCCO 34a_100015183923_100000211926 [0,1,1,0,0,0|2,0,0]=4 1086 B10R0.24 COCC(CO)NCCCO 2230a_100000724102_100000230001 [0,1,1,0,0,0|2,0,0]=4 1087 B10R0.24 COCC(CO)NCCCO 34a_100000724102_100000230001 [0,1,1,0,0,0|2,0,0]=4 1088 B10R0.34 CC(CCO)NC(CO)CO 2230a_100000759517_100009893172 [0,1,1,0,0,0|2,0,0]=4 1089 B10R0.34 CCC(CC)CN(C)CCO 2230a_100000210263_100011215472 [0,1,1,0,0,0|2,0,0]=4 1090 B10R0.34 CCC(CC)CN(C)CCO 269982a_100000210263_100011215472 [0,1,1,0,0,0|2,0,0]=4 1091 B10R0.34 CCC(CC)CN(C)CCO 270004a_100000210263_100000211137 [0,1,1,0,0,0|2,0,0]=4 1092 B10R0.34 O=C(CCO)NC(CO)CO 240690a_100000759517_100011216618 [0,1,1,0,0,0|2,0,0]=4 1093 B10R0.45 CCC(CC)CNC(C)CO 2230a_100102946423_100012180447 [0,1,1,0,0,0|2,0,0]=4 1094 B10R0.45 CCC(CC)CN[C@H](C)CO 2230a_100000737577_100011215472 [0,1,1,0,0,0|2,0,0]=4 1095 B10R0.45 CCC(CC)CN[C@H](C)CO 269862a_100000737577_100000211137 [0,1,1,0,0,0|2,0,0]=4 1096 B10R0.45 CCC(CC)CN[C@H](C)CO 270004a_100000737577_100000211137 [0,1,1,0,0,0|2,0,0]=4 1097 B10R0.45 C[C@@H](CO)CNC(CO)CO 2230a_100000759517_100000059175 [0,1,1,0,0,0|2,0,0]=4 1098 B10R0.77 CC(O)CCNC(CO)CO 2230a_100000759517_100012276601 [0,1,1,0,0,0|2,0,0]=4 1099 B10R0.77 CC(O)CNN=C(CO)CO 4a_200000730056_100000036256 [0,1,1,0,0,0|1,0,1]=4 1100 B10R0.77 CCC(CC)CNCC(C)O 2230a_100000210904_100011215472 [0,1,1,0,0,0|2,0,0]=4 1101 B10R0.77 CCC(CC)CNCC(C)O 2230a_100102946423_100011218427 [0,1,1,0,0,0|2,0,0]=4 1102 B10R0.77 CCC(CC)CNCC(C)O 269862a_100000210904_100000211137 [0,1,1,0,0,0|2,0,0]=4 1103 B10R0.77 CCC(CC)CNCC(C)O 270004a_100000210904_100000211137 [0,1,1,0,0,0|2,0,0]=4 1104 B10R0.77 CCC(CC)CNCC(C)O 34a_100000210904_100011215472 [0,1,1,0,0,0|2,0,0]=4 1105 B10R0.77 CCC(CC)CNC[C@@H](C)O 2230a_100102946423_100009817552 [0,1,1,0,0,0|2,0,0]=4 1106 B10R0.86 CC(C)C(CO)CNCCF 34a_100000692819_100011217306 [0,1,1,0,0,0|2,0,0]=4 1107 B10R0.86 CC(C)C(CO)CNCCO 34a_100000692819_100000211926 [0,1,1,0,0,0|1,0,0]=3 1108 B10R0.86 CCC(CNCCO)C(C)C 269862a_100000210304_100011214906 [0,1,1,0,0,0|2,0,0]=4 1109 B10R0.86 CCCNCC(CO)C(C)C 34a_100000692819_100000210303 [0,1,1,0,0,0|2,0,0]=4 1110 B10R0.86 C[C@@H](O)[C@@H](CO)NCCCO 2230a_100015196842_100000230001 [0,1,1,0,0,0|2,0,0]=4 1111 B10R0.86 C[C@@H](O)[C@@H](CO)NCCCO 34a_100015196842_100000230001 [0,1,1,0,0,0|2,0,0]=4 1112 B10R1.8 CC1CC(CN(C1)C)CO 2230a_200012821172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1113 B10R1.8 CC1CC(CN(C1)C)CO 269982a_200012821172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1114 B10R1.8 CC1CC(CN(C1)C)CO 34a_200012821172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1115 B10R1.8 CC1CC(CN(C1)[13CH3])CO 2230a_200012821172_200025704644 [1,1,0,0,0,0|1,0,0]=3 1116 B10R1.8 CC1CC(CN(C1)[13CH3])CO 269982a_200012821172_200025704644 [1,1,0,0,0,0|1,0,0]=3 1117 B10R1.8 CC1CC(CN(C1)[13CH3])CO 34a_200012821172_200025704644 [1,1,0,0,0,0|1,0,0]=3 1118 B10R1.10 CC1CNCC(C1)CO[13CH3] 34a_200012821172_200025704644 [1,1,0,0,0,0|1,0,0]=3 1119 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [1,1,0,0,0,0|2,0,0]=4 1120 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [1,1,0,0,0,0|2,0,0]=4 1121 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [1,1,0,0,0,0|2,0,0]=4 1122 B10R1.10 COCC1CNCC(C1)C 34a_200012821172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1123 B10R1.10 COCN1CCCC(C1)O 2230a_100000211013_100000766300 [1,1,0,0,0,0|2,0,0]=4 1124 B10R1.10 COCN1CCCC(C1)O 269982a_100000211013_100000766300 [1,1,0,0,0,0|2,0,0]=4 1125 B10R1.10 OCCN1CCCC(C1)O 2230a_100000211013_100000211926 [1,1,0,0,0,0|2,0,0]=4 1126 B10R1.10 OCCN1CCCC(C1)O 269982a_100000211013_100000211926 [1,1,0,0,0,0|2,0,0]=4 1127 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [1,1,0,0,0,0|2,0,0]=4 1128 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [1,1,0,0,0,0|2,0,0]=4 1129 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [1,1,0,0,0,0|2,0,0]=4 1130 B10R1.172 COC1CCCC(C1)CN 34a_100011254705_200000210301 [1,1,0,0,0,0|2,0,0]=4 1131 B10R1.172 [13CH3]OC1CCCC(C1)CN 34a_100011254705_200025704644 [1,1,0,0,0,0|2,0,0]=4 1132 B10R1.245 CC1CCCC(C1O[13CH3])C 34a_100011218088_200025704644 [1,1,0,0,0,0|2,0,0]=4 1133 B10R1.245 CC1CCCC(C1O[13CH3])C 7a_100011218088_200025704644 [1,1,0,0,0,0|2,0,0]=4 1134 B10R1.245 COC1C(CCCC1C)C 34a_100011218088_200000210301 [1,1,0,0,0,0|2,0,0]=4 1135 B10R1.245 COC1C(CCCC1C)C 7a_100011218088_200000210301 [1,1,0,0,0,0|2,0,0]=4 1136 B10R1.4 CC1CCNCC1OCF 34a_100000696640_100015361967 [1,1,0,0,0,0|2,0,0]=4 1137 B10R1.4 CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210202 [1,1,0,0,0,0|2,0,0]=4 1138 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [1,1,0,0,0,0|2,0,0]=4 1139 B10R1.4 CCOC1CNCCC1C 34a_100000696640_100000210202 [1,1,0,0,0,0|2,0,0]=4 1140 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [1,1,0,0,0,0|2,0,0]=4 1141 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [1,1,0,0,0,0|2,0,0]=4 1142 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [1,1,0,0,0,0|2,0,0]=4 1143 B10R1.4 COCC1COCCC1N 34a_214813039666_200000210301 [1,1,0,0,0,0|2,0,0]=4 1144 B10R1.4 OC1CCCCC1SCF 62a_100000038908_100015361967 [1,1,0,0,0,0|2,0,0]=4 1145 B10R1.4 OC1CCCCC1SCF 62a_100015361967_100000038908 [1,1,0,0,0,0|2,0,0]=4 1146 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [1,1,0,0,0,0|2,0,0]=4 1147 B10R1.4 [13CH3]OCC1COCCC1N 34a_214813039666_200025704644 [1,1,0,0,0,0|2,0,0]=4 1148 B10R1.20 CCC1CCCCC1OC 34a_100000210738_200000210301 [1,1,0,0,0,0|2,0,0]=4 1149 B10R1.20 CCC1CCCCC1OC 7a_100000210738_200000210301 [1,1,0,0,0,0|2,0,0]=4 1150 B10R1.20 CCC1CCCCC1O[13CH3] 34a_100000210738_200025704644 [1,1,0,0,0,0|2,0,0]=4 1151 B10R1.20 CCC1CCCCC1O[13CH3] 7a_100000210738_200025704644 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.20 CNC1CCCCC1CO 270004a_106832991635_100009861125 [1,1,0,0,0,0|2,0,0]=4 1153 B10R1.20 CNC1CCOCC1CO 2230a_214813039666_200000210301 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.20 CNC1CCOCC1CO 34a_214813039666_200000210301 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.20 COC1CCCCC1CN 34a_100011216029_200000210301 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.20 [13CH3]NC1CCOCC1CO 2230a_214813039666_200025704644 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.20 [13CH3]NC1CCOCC1CO 34a_214813039666_200025704644 [1,1,0,0,0,0|2,0,0]=4 1158 B10R1.20 [13CH3]OC1CCCCC1CN 34a_100011216029_200025704644 [1,1,0,0,0,0|2,0,0]=4 1159 B12R1.98 CN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 2230a_100011995873_200000210301 [0,2,0,0,0,0|2,0,0]=4 1160 B12R1.98 CN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 269982a_100011995873_200000210301 [0,2,0,0,0,0|2,0,0]=4 1161 B12R1.98 [13CH3]N1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 2230a_100011995873_200025704644 [0,2,0,0,0,0|2,0,0]=4 1162 B12R1.98 [13CH3]N1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O 269982a_100011995873_200025704644 [0,2,0,0,0,0|2,0,0]=4 1163 B10R1.32 CN1C[C@H]([C@@H](C1)CO)CO 2230a_200025772242_200000210301 [0,0,1,1,0,0|1,0,0]=3 1164 B10R1.32 CN1C[C@H]([C@@H](C1)CO)CO 269982a_200025772242_200000210301 [0,0,1,1,0,0|1,0,0]=3 1165 B10R1.32 CN1C[C@H]([C@@H](C1)CO)CO 34a_200025772242_200000210301 [0,0,1,1,0,0|1,0,0]=3 1166 B10R1.32 [13CH3]N1C[C@H]([C@@H](C1)CO)CO 2230a_200025772242_200025704644 [0,0,1,1,0,0|1,0,0]=3 1167 B10R1.32 [13CH3]N1C[C@H]([C@@H](C1)CO)CO 269982a_200025772242_200025704644 [0,0,1,1,0,0|1,0,0]=3 1168 B10R1.32 [13CH3]N1C[C@H]([C@@H](C1)CO)CO 34a_200025772242_200025704644 [0,0,1,1,0,0|1,0,0]=3 1169 B10R1.16 CCCCN1CCC(C1)O 2230a_100011215560_100000210211 [0,0,1,1,0,0|2,0,0]=4 1170 B10R1.16 CCCCN1CCC(C1)O 269982a_100011215560_100000210211 [0,0,1,1,0,0|2,0,0]=4 1171 B10R1.16 C[C@@H]1CCN(C1)CCCO 2230a_100016987628_100000230001 [0,0,1,1,0,0|2,0,0]=4 1172 B10R1.16 C[C@@H]1CCN(C1)CCCO 269982a_100016987628_100011215043 [0,0,1,1,0,0|2,0,0]=4 1173 B10R1.16 C[C@@H]1CCN(C1)CCCO 34a_100016987628_100000230001 [0,0,1,1,0,0|2,0,0]=4 1174 B10R1.16 OC1CCN(C1)CCCF 2230a_100011215560_100011934791 [0,0,1,1,0,0|2,0,0]=4 1175 B10R1.16 OC1CCN(C1)CCCF 269982a_100011215560_100011934791 [0,0,1,1,0,0|2,0,0]=4 1176 B10R1.16 OCCCN1CCC(C1)O 2230a_100011215560_100000230001 [0,0,1,1,0,0|1,0,0]=3 1177 B10R1.16 OCCCN1CCC(C1)O 269982a_100011215560_100011215043 [0,0,1,1,0,0|1,0,0]=3 1178 B10R1.16 OCCCN1CC[C@@H](C1)F 2230a_100015203821_100000230001 [0,0,1,1,0,0|2,0,0]=4 1179 B10R1.16 OCCCN1CC[C@@H](C1)F 269982a_100015203821_100011215043 [0,0,1,1,0,0|2,0,0]=4 1180 B10R1.16 OCCCN1CC[C@@H](C1)F 34a_100015203821_100000230001 [0,0,1,1,0,0|2,0,0]=4 1181 B10R1.27 CCC(O)CN1CCCC1 2230a_100000188435_100011218378 [0,0,1,1,0,0|2,0,0]=4 1182 B10R1.27 CCC(O)CN1CCCC1 269982a_100000188435_100011218378 [0,0,1,1,0,0|2,0,0]=4 1183 B10R1.27 C[C@@H](CO)CN1CCCC1 2230a_100000188435_100000059175 [0,0,1,1,0,0|2,0,0]=4 1184 B10R1.27 C[C@@H](CO)CN1CCCC1 269982a_100000188435_100000059175 [0,0,1,1,0,0|2,0,0]=4 1185 B10R1.27 OCC(O)CN1CCCC1 2230a_100000188435_100011219619 [0,0,1,1,0,0|1,0,0]=3 1186 B10R1.27 OCC(O)CN1CCSC1 2230a_100011215254_100011219619 [0,0,1,1,0,0|2,0,0]=4 1187 B10R1.27 OC[C@H](O)CN1CCCC1 2230a_100000188435_100009815848 [0,0,1,1,0,0|1,0,0]=3 1188 B10R1.27 OC[C@H](O)CN1CCSC1 2230a_100011215254_100009815848 [0,0,1,1,0,0|2,0,0]=4 1189 B10R1.27 O[C@@H](CF)CN1CCCC1 2230a_100000188435_100015614560 [0,0,1,1,0,0|2,0,0]=4 1190 B10R1.57 CCCCNCC1CCO1 2230a_100000102301_100000103362 [0,0,1,1,0,0|2,0,0]=4 1191 B10R1.57 CCCCNCC1CCO1 7a_106832991798_100000103362 [0,0,1,1,0,0|2,0,0]=4 1192 B10R1.57 CCCCNCC1COC1 2230a_100000102301_100010264016 [0,0,1,1,0,0|2,0,0]=4 1193 B10R1.57 CCCCNCC1COC1 2230a_100015281925_100000210211 [0,0,1,1,0,0|2,0,0]=4 1194 B10R1.57 CCCCNCC1COC1 34a_100015281925_100000210210 [0,0,1,1,0,0|2,0,0]=4 1195 B10R1.57 CCCCNCC1COC1 7a_106832991798_100010264016 [0,0,1,1,0,0|2,0,0]=4 1196 B10R1.57 CCCCNC[C@@H]1CCO1 2230a_100020831831_100000210211 [0,0,1,1,0,0|2,0,0]=4 1197 B10R1.57 CCCCNC[C@@H]1CCO1 34a_100020831831_100000210210 [0,0,1,1,0,0|2,0,0]=4 1198 B10R1.57 FCCCNCC1CCO1 2230a_100015189416_100000103362 [0,0,1,1,0,0|2,0,0]=4 1199 B10R1.57 FCCCNCC1CCO1 34a_100015189416_100000103362 [0,0,1,1,0,0|2,0,0]=4 1200 B10R1.57 FCCCNCC1COC1 2230a_100015189416_100010264016 [0,0,1,1,0,0|2,0,0]=4 1201 B10R1.57 FCCCNCC1COC1 2230a_100015281925_100011934791 [0,0,1,1,0,0|2,0,0]=4 1202 B10R1.57 FCCCNCC1COC1 34a_100015189416_100010264016 [0,0,1,1,0,0|2,0,0]=4 1203 B10R1.57 FCCCNCC1COC1 34a_100015281925_100011934791 [0,0,1,1,0,0|2,0,0]=4 1204 B10R1.57 FCCCNC[C@@H]1CCO1 2230a_100020831831_100011934791 [0,0,1,1,0,0|2,0,0]=4 1205 B10R1.57 FCCCNC[C@@H]1CCO1 34a_100020831831_100011934791 [0,0,1,1,0,0|2,0,0]=4 1206 B10R1.57 OCCCNCC1CCC1 2230a_100000738700_100000230001 [0,0,1,1,0,0|2,0,0]=4 1207 B10R1.57 OCCCNCC1CCC1 269862a_100000182051_100000753134 [0,0,1,1,0,0|2,0,0]=4 1208 B10R1.57 OCCCNCC1CCC1 34a_100000738700_100000230001 [0,0,1,1,0,0|2,0,0]=4 1209 B10R1.57 OCCCNCC1COC1 2230a_100015281925_100000230001 [0,0,1,1,0,0|1,0,0]=3 1210 B10R1.57 OCCCNCC1COC1 34a_100015281925_100000230001 [0,0,1,1,0,0|1,0,0]=3 1211 B10R1.57 OCCCNC[C@@H]1CCO1 2230a_100020831831_100000230001 [0,0,1,1,0,0|1,0,0]=3 1212 B10R1.57 OCCCNC[C@@H]1CCO1 34a_100020831831_100000230001 [0,0,1,1,0,0|1,0,0]=3 1213 B10R1.57 OCCCOCC1CCO1 34a_100000039022_100000230001 [0,0,1,1,0,0|2,0,0]=4 1214 B10R1.57 OCCCOCC1COC1 34a_100000060846_100000230001 [0,0,1,1,0,0|2,0,0]=4 1215 B10R1.57 OCCCSCC1CCO1 62a_100000103362_100011215043 [0,0,1,1,0,0|2,0,0]=4 1216 B10R1.57 OCCCSCC1CCO1 62a_100011215043_100000103362 [0,0,1,1,0,0|2,0,0]=4 1217 B10R1.57 OCCCSCC1COC1 62a_100010264016_100011215043 [0,0,1,1,0,0|2,0,0]=4 1218 B10R1.57 OCCCSCC1COC1 62a_100011215043_100010264016 [0,0,1,1,0,0|2,0,0]=4 1219 B10R1.70 CC1(CC1)CNCCCO 2230a_100000766693_100000230001 [0,0,1,1,0,0|2,0,0]=4 1220 B10R1.70 CC1(CO1)CNCCCF 34a_100015189416_100000760498 [0,0,1,1,0,0|2,0,0]=4 1221 B10R1.70 CC1(CO1)CSCCCO 62a_100000760498_100011215043 [0,0,1,1,0,0|2,0,0]=4 1222 B10R1.70 CC1(CO1)CSCCCO 62a_100011215043_100000760498 [0,0,1,1,0,0|2,0,0]=4 1223 B10R1.70 CCCCNCC1(CC1)O 2230a_100011936951_100000210211 [0,0,1,1,0,0|2,0,0]=4 1224 B10R1.70 OC1(CC1)CNCCCF 2230a_100011936951_100011934791 [0,0,1,1,0,0|2,0,0]=4 1225 B10R1.70 OCCCNCC1(CC1)O 2230a_100011936951_100000230001 [0,0,1,1,0,0|1,0,0]=3 1226 B10R1.143 CCC1CN(C1)CCCO 2230a_100015205115_100000230001 [0,0,1,1,0,0|2,0,0]=4 1227 B10R1.143 CCC1CN(C1)CCCO 269982a_100015205115_100011215043 [0,0,1,1,0,0|2,0,0]=4 1228 B10R1.143 CCCCN1CC(C1)CO 269982a_100016987283_100000210211 [0,0,1,1,0,0|2,0,0]=4 1229 B10R1.143 CCCCN1CC(C1)CO 34a_100016987283_100000210210 [0,0,1,1,0,0|2,0,0]=4 1230 B10R1.143 OCC1CN(C1)CCCF 269982a_100016987283_100011934791 [0,0,1,1,0,0|2,0,0]=4 1231 B10R1.143 OCC1CN(C1)CCCF 34a_100016987283_100011934791 [0,0,1,1,0,0|2,0,0]=4 1232 B10R1.143 OCCCN1CC(C1)CF 269982a_100010363649_100011215043 [0,0,1,1,0,0|2,0,0]=4 1233 B10R1.143 OCCCN1CC(C1)CF 34a_100010363649_100000230001 [0,0,1,1,0,0|2,0,0]=4 1234 B10R1.143 OCCCN1CC(C1)CO 269982a_100016987283_100011215043 [0,0,1,1,0,0|1,0,0]=3 1235 B10R1.143 OCCCN1CC(C1)CO 34a_100016987283_100000230001 [0,0,1,1,0,0|1,0,0]=3 1236 B10R1.151 CC(CO)CNC1CCC1 34a_100000744482_100000749161 [0,0,1,1,0,0|2,0,0]=4 1237 B10R1.151 CCC(O)CNC1CCC1 2230a_100000749019_100011218378 [0,0,1,1,0,0|2,0,0]=4 1238 B10R1.151 CCC(O)CNC1CCC1 270004a_100011218483_100000241760 [0,0,1,1,0,0|2,0,0]=4 1239 B10R1.151 CCC(O)CNC1CCC1 34a_100000749019_100011218378 [0,0,1,1,0,0|2,0,0]=4 1240 B10R1.151 C[C@@H](CO)CNC1CCC1 2230a_100000749019_100000059175 [0,0,1,1,0,0|2,0,0]=4 1241 B10R1.151 C[C@@H](CO)CNC1CCC1 34a_100000749019_100000059175 [0,0,1,1,0,0|2,0,0]=4 1242 B10R1.151 OCC(O)CNC1CCC1 2230a_100000749019_100011219619 [0,0,1,1,0,0|1,0,0]=3 1243 B10R1.151 OCC(O)CNC1CCC1 34a_100000749019_100011219619 [0,0,1,1,0,0|1,0,0]=3 1244 B10R1.151 OCC(O)CNC1COC1 2230a_100016991112_100011219619 [0,0,1,1,0,0|2,0,0]=4 1245 B10R1.151 OCC(O)COC1CCC1 34a_100000748187_100011219619 [0,0,1,1,0,0|2,0,0]=4 1246 B10R1.151 OCC(O)CSC1CCC1 62a_100011219619_100000749161 [0,0,1,1,0,0|2,0,0]=4 1247 B10R1.151 OC[C@H](F)CNC1CCC1 270004a_100015665980_100000241760 [0,0,1,1,0,0|2,0,0]=4 1248 B10R1.151 OC[C@H](F)CNC1CCC1 34a_100015665980_100000749161 [0,0,1,1,0,0|2,0,0]=4 1249 B10R1.151 OC[C@H](O)CNC1CCC1 2230a_100000749019_100009815848 [0,0,1,1,0,0|1,0,0]=3 1250 B10R1.151 OC[C@H](O)CNC1CCC1 34a_100000749019_100009815848 [0,0,1,1,0,0|1,0,0]=3 1251 B10R1.151 OC[C@H](O)CNC1COC1 2230a_100016991112_100009815848 [0,0,1,1,0,0|2,0,0]=4 1252 B10R1.151 OC[C@H](O)COC1CCC1 34a_100000748187_100009815848 [0,0,1,1,0,0|2,0,0]=4 1253 B10R1.151 OC[C@H](O)CSC1CCC1 62a_100009815848_100000749161 [0,0,1,1,0,0|2,0,0]=4 1254 B10R1.151 O[C@@H](CF)CNC1CCC1 2230a_100000749019_100015614560 [0,0,1,1,0,0|2,0,0]=4 1255 B10R1.151 O[C@@H](CF)CNC1CCC1 34a_100000749019_100015614560 [0,0,1,1,0,0|2,0,0]=4 1256 B10R1.153 CC(CO)CNCC1CC1 269862a_100000744482_100000741477 [0,0,1,1,0,0|2,0,0]=4 1257 B10R1.153 CC(CO)CNCC1CC1 34a_100000744482_100000742324 [0,0,1,1,0,0|2,0,0]=4 1258 B10R1.153 CC(CO)CNCC1CO1 34a_100000744482_102125554688 [0,0,1,1,0,0|1,0,0]=3 1259 B10R1.153 CCC(C)CNCC1CO1 2230a_100020588543_100011216344 [0,0,1,1,0,0|2,0,0]=4 1260 B10R1.153 CCC(O)CNCC1CC1 2230a_100000735609_100011218378 [0,0,1,1,0,0|2,0,0]=4 1261 B10R1.153 CCC(O)CNCC1CC1 2230a_100011218483_100000742324 [0,0,1,1,0,0|2,0,0]=4 1262 B10R1.153 CCC(O)CNCC1CC1 269862a_100011218483_100000741477 [0,0,1,1,0,0|2,0,0]=4 1263 B10R1.153 CCC(O)CNCC1CC1 34a_100000735609_100011218378 [0,0,1,1,0,0|2,0,0]=4 1264 B10R1.153 CCC(O)CNCC1CO1 2230a_100011218483_100011216344 [0,0,1,1,0,0|1,0,0]=3 1265 B10R1.153 CCC(O)COC[C@@H]1CO1 34a_100000757423_100011218378 [0,0,1,1,0,0|2,0,0]=4 1266 B10R1.153 CCC(O)CSCC1CO1 62a_100011218378_102125554688 [0,0,1,1,0,0|2,0,0]=4 1267 B10R1.153 CCC(O)CSCC1CO1 62a_102125554688_100011218378 [0,0,1,1,0,0|2,0,0]=4 1268 B10R1.153 CCC(O)CSC[C@@H]1CO1 62a_100000745022_100011218378 [0,0,1,1,0,0|2,0,0]=4 1269 B10R1.153 CCC(O)CSC[C@@H]1CO1 62a_100011218378_100000745022 [0,0,1,1,0,0|2,0,0]=4 1270 B10R1.153 C[C@@H](CO)CNCC1CC1 2230a_100000735609_100000059175 [0,0,1,1,0,0|2,0,0]=4 1271 B10R1.153 C[C@@H](CO)CNCC1CC1 34a_100000735609_100000059175 [0,0,1,1,0,0|2,0,0]=4 1272 B10R1.153 C[C@@H](CO)COC[C@@H]1CO1 34a_100000757423_100000059175 [0,0,1,1,0,0|2,0,0]=4 1273 B10R1.153 C[C@@H](CO)CSCC1CO1 62a_100000059175_102125554688 [0,0,1,1,0,0|2,0,0]=4 1274 B10R1.153 C[C@@H](CO)CSCC1CO1 62a_102125554688_100000059175 [0,0,1,1,0,0|2,0,0]=4 1275 B10R1.153 C[C@@H](CO)CSC[C@@H]1CO1 62a_100000059175_100000745022 [0,0,1,1,0,0|2,0,0]=4 1276 B10R1.153 C[C@@H](CO)CSC[C@@H]1CO1 62a_100000745022_100000059175 [0,0,1,1,0,0|2,0,0]=4 1277 B10R1.153 OCC(O)CNCC1CC1 2230a_100000735609_100011219619 [0,0,1,1,0,0|1,0,0]=3 1278 B10R1.153 OCC(O)CNCC1CC1 34a_100000735609_100011219619 [0,0,1,1,0,0|1,0,0]=3 1279 B10R1.153 OCC(O)COCC1CC1 34a_100000211283_100011219619 [0,0,1,1,0,0|2,0,0]=4 1280 B10R1.153 OCC(O)COC[C@@H]1CO1 34a_100000757423_100011219619 [0,0,1,1,0,0|1,0,0]=3 1281 B10R1.153 OCC(O)CSCC1CC1 62a_100000756562_100011219619 [0,0,1,1,0,0|2,0,0]=4 1282 B10R1.153 OCC(O)CSCC1CC1 62a_100011219619_100000742324 [0,0,1,1,0,0|2,0,0]=4 1283 B10R1.153 OCC(O)CSCC1CO1 62a_100011219619_102125554688 [0,0,1,1,0,0|1,0,0]=3 1284 B10R1.153 OCC(O)CSCC1CO1 62a_102125554688_100011219619 [0,0,1,1,0,0|1,0,0]=3 1285 B10R1.153 OCC(O)CSCC1CS1 62a_100000031435_100011219619 [0,0,1,1,0,0|1,1,0]=4 1286 B10R1.153 OCC(O)CSCC1CS1 62a_100011219619_100000031435 [0,0,1,1,0,0|1,1,0]=4 1287 B10R1.153 OCC(O)CSC[C@@H]1CO1 62a_100000745022_100011219619 [0,0,1,1,0,0|1,0,0]=3 1288 B10R1.153 OCC(O)CSC[C@@H]1CO1 62a_100011219619_100000745022 [0,0,1,1,0,0|1,0,0]=3 1289 B10R1.153 OC[C@@H](O)CNCC1CC1 2230a_100020644852_100000742324 [0,0,1,1,0,0|1,0,0]=3 1290 B10R1.153 OC[C@@H](O)CNCC1CC1 269862a_100020644852_100000741477 [0,0,1,1,0,0|1,0,0]=3 1291 B10R1.153 OC[C@@H](O)CNCC1CO1 2230a_100020644852_100011216344 [0,0,1,1,0,0|0,0,0]=2 1292 B10R1.153 OC[C@H](F)CNCC1CC1 269862a_100015665980_100000741477 [0,0,1,1,0,0|2,0,0]=4 1293 B10R1.153 OC[C@H](F)CNCC1CC1 34a_100015665980_100000742324 [0,0,1,1,0,0|2,0,0]=4 1294 B10R1.153 OC[C@H](F)CNCC1CO1 34a_100015665980_102125554688 [0,0,1,1,0,0|1,0,0]=3 1295 B10R1.153 OC[C@H](O)CNCC1CC1 2230a_100000735609_100009815848 [0,0,1,1,0,0|1,0,0]=3 1296 B10R1.153 OC[C@H](O)CNCC1CC1 34a_100000735609_100009815848 [0,0,1,1,0,0|1,0,0]=3 1297 B10R1.153 OC[C@H](O)COCC1CC1 34a_100000211283_100009815848 [0,0,1,1,0,0|2,0,0]=4 1298 B10R1.153 OC[C@H](O)COC[C@@H]1CO1 34a_100000757423_100009815848 [0,0,1,1,0,0|1,0,0]=3 1299 B10R1.153 OC[C@H](O)CSCC1CC1 62a_100000756562_100009815848 [0,0,1,1,0,0|2,0,0]=4 1300 B10R1.153 OC[C@H](O)CSCC1CC1 62a_100009815848_100000742324 [0,0,1,1,0,0|2,0,0]=4 1301 B10R1.153 OC[C@H](O)CSCC1CO1 62a_100009815848_102125554688 [0,0,1,1,0,0|1,0,0]=3 1302 B10R1.153 OC[C@H](O)CSCC1CO1 62a_102125554688_100009815848 [0,0,1,1,0,0|1,0,0]=3 1303 B10R1.153 OC[C@H](O)CSCC1CS1 62a_100000031435_100009815848 [0,0,1,1,0,0|1,1,0]=4 1304 B10R1.153 OC[C@H](O)CSCC1CS1 62a_100009815848_100000031435 [0,0,1,1,0,0|1,1,0]=4 1305 B10R1.153 OC[C@H](O)CSC[C@@H]1CO1 62a_100000745022_100009815848 [0,0,1,1,0,0|1,0,0]=3 1306 B10R1.153 OC[C@H](O)CSC[C@@H]1CO1 62a_100009815848_100000745022 [0,0,1,1,0,0|1,0,0]=3 1307 B10R1.153 O[C@@H](CF)CNCC1CC1 2230a_100000735609_100015614560 [0,0,1,1,0,0|2,0,0]=4 1308 B10R1.153 O[C@@H](CF)CNCC1CC1 34a_100000735609_100015614560 [0,0,1,1,0,0|2,0,0]=4 1309 B10R1.153 O[C@@H](CF)COC[C@@H]1CO1 34a_100000757423_100015614560 [0,0,1,1,0,0|2,0,0]=4 1310 B10R1.153 O[C@@H](CF)CSCC1CO1 62a_100015614560_102125554688 [0,0,1,1,0,0|2,0,0]=4 1311 B10R1.153 O[C@@H](CF)CSCC1CO1 62a_102125554688_100015614560 [0,0,1,1,0,0|2,0,0]=4 1312 B10R1.153 O[C@@H](CF)CSC[C@@H]1CO1 62a_100000745022_100015614560 [0,0,1,1,0,0|2,0,0]=4 1313 B10R1.153 O[C@@H](CF)CSC[C@@H]1CO1 62a_100015614560_100000745022 [0,0,1,1,0,0|2,0,0]=4 1314 B10R1.206 CCC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011218378 [0,0,1,1,0,0|2,0,0]=4 1315 B10R1.206 CCC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011218378 [0,0,1,1,0,0|2,0,0]=4 1316 B10R1.206 CCC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011218378 [0,0,1,1,0,0|2,0,0]=4 1317 B10R1.206 C[C@@H](CO)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000059175 [0,0,1,1,0,0|2,0,0]=4 1318 B10R1.206 C[C@@H](CO)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000059175 [0,0,1,1,0,0|2,0,0]=4 1319 B10R1.206 C[C@@H](CO)CN[C@@H]1C[C@H]1F 34a_100025746932_100000059175 [0,0,1,1,0,0|2,0,0]=4 1320 B10R1.206 OCC(O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100011219619 [0,0,1,1,0,0|1,0,0]=3 1321 B10R1.206 OCC(O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100011219619 [0,0,1,1,0,0|1,0,0]=3 1322 B10R1.206 OCC(O)CN[C@@H]1C[C@H]1F 34a_100025746932_100011219619 [0,0,1,1,0,0|1,0,0]=3 1323 B10R1.206 OC[C@H](O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100009815848 [0,0,1,1,0,0|1,0,0]=3 1324 B10R1.206 OC[C@H](O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100009815848 [0,0,1,1,0,0|1,0,0]=3 1325 B10R1.206 OC[C@H](O)CN[C@@H]1C[C@H]1F 34a_100025746932_100009815848 [0,0,1,1,0,0|1,0,0]=3 1326 B10R1.206 O[C@@H](CF)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100015614560 [0,0,1,1,0,0|2,0,0]=4 1327 B10R1.206 O[C@@H](CF)CN[C@@H]1C[C@H]1F 2230a_100025746932_100015614560 [0,0,1,1,0,0|2,0,0]=4 1328 B10R1.206 O[C@@H](CF)CN[C@@H]1C[C@H]1F 34a_100025746932_100015614560 [0,0,1,1,0,0|2,0,0]=4 1329 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210211 [0,0,1,1,0,0|2,0,0]=4 1330 B10R1.217 CCCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210211 [0,0,1,1,0,0|2,0,0]=4 1331 B10R1.217 C[C@H]1[C@H](CN1CCCF)O 2230a_206633788156_100011934791 [0,0,1,1,0,0|2,0,0]=4 1332 B10R1.217 C[C@H]1[C@H](CN1CCCF)O 269982a_206633788156_100011934791 [0,0,1,1,0,0|2,0,0]=4 1333 B10R1.217 C[C@H]1[C@H](CN1CCCO)O 2230a_206633788156_100000230001 [0,0,1,1,0,0|1,0,0]=3 1334 B10R1.217 C[C@H]1[C@H](CN1CCCO)O 269982a_206633788156_100011215043 [0,0,1,1,0,0|1,0,0]=3 1335 B10R1.463 CC1CCN1CC(O)CO 34a_100000755817_100011219619 [0,0,1,1,0,0|1,0,0]=3 1336 B10R1.463 CC1CCN1C[C@@H](C)CO 269982a_100000755817_100000059175 [0,0,1,1,0,0|2,0,0]=4 1337 B10R1.463 CC1CCN1C[C@@H](C)CO 34a_100000755817_100000059175 [0,0,1,1,0,0|2,0,0]=4 1338 B10R1.463 CC1CCN1C[C@@H](O)CF 34a_100000755817_100015614560 [0,0,1,1,0,0|2,0,0]=4 1339 B10R1.463 CC1CCN1C[C@@H](O)CO 34a_100000755817_100009815848 [0,0,1,1,0,0|1,0,0]=3 1340 B10R1.463 CCC(O)CN1CCC1C 269982a_100000755817_100011218378 [0,0,1,1,0,0|2,0,0]=4 1341 B10R1.463 CCC(O)CN1CCC1C 34a_100000755817_100011218378 [0,0,1,1,0,0|2,0,0]=4 1342 B10R1.21 CCCNCC1CCOC1 2230a_100000737293_100000210303 [0,0,1,1,0,0|2,0,0]=4 1343 B10R1.21 CCCNCC1CCOC1 34a_100000737293_100000210303 [0,0,1,1,0,0|2,0,0]=4 1344 B10R1.21 FCCNCC1CCOC1 2230a_100000737293_100011217306 [0,0,1,1,0,0|2,0,0]=4 1345 B10R1.21 FCCNCC1CCOC1 34a_100000724931_100011261433 [0,0,1,1,0,0|2,0,0]=4 1346 B10R1.21 FCCNCC1CCOC1 34a_100000737293_100011217306 [0,0,1,1,0,0|2,0,0]=4 1347 B10R1.21 OCCNCC1CCCC1 2230a_100000737975_100000211926 [0,0,1,1,0,0|2,0,0]=4 1348 B10R1.21 OCCNCC1CCCC1 2230a_100016997473_100000740388 [0,0,1,1,0,0|2,0,0]=4 1349 B10R1.21 OCCNCC1CCCC1 269862a_100000210304_100000746403 [0,0,1,1,0,0|2,0,0]=4 1350 B10R1.21 OCCNCC1CCCC1 34a_100000737975_100000211926 [0,0,1,1,0,0|2,0,0]=4 1351 B10R1.21 OCCNCC1CCCC1 34a_100016990907_100000740388 [0,0,1,1,0,0|2,0,0]=4 1352 B10R1.21 OCCNCC1CCOC1 2230a_100000737293_100000211926 [0,0,1,1,0,0|1,0,0]=3 1353 B10R1.21 OCCNCC1CCOC1 2230a_100016997473_100000702531 [0,0,1,1,0,0|1,0,0]=3 1354 B10R1.21 OCCNCC1CCOC1 34a_100000737293_100000211926 [0,0,1,1,0,0|1,0,0]=3 1355 B10R1.21 OCCNCC1CCOC1 34a_100016990907_100011261433 [0,0,1,1,0,0|1,0,0]=3 1356 B10R1.21 OCCOCC1CCOC1 34a_100000740260_100000211926 [0,0,1,1,0,0|2,0,0]=4 1357 B10R1.21 OCCSCC1CCOC1 62a_100000211926_100000702531 [0,0,1,1,0,0|2,0,0]=4 1358 B10R1.21 OCCSCC1CCOC1 62a_100000702531_100000211926 [0,0,1,1,0,0|2,0,0]=4 1359 B10R1.123 OCC(CO)NCC1CO1 2230a_100000759517_100011216344 [0,0,1,1,0,0|2,0,0]=4 1360 B10R1.459 CCC1(CO1)CNCCF 34a_100000724931_200000139556 [0,0,1,1,0,0|2,0,0]=4 1361 B10R1.459 CCC1(CO1)CNCCO 34a_100016990907_200000139556 [0,0,1,1,0,0|1,0,0]=3 1362 B10R1.459 CCC1(CO1)CSCCO 62a_100000211926_200000139556 [0,0,1,1,0,0|2,0,0]=4 1363 B10R1.459 CCC1(CO1)CSCCO 62a_200000139556_100000211926 [0,0,1,1,0,0|2,0,0]=4 1364 B10R1.459 CCCNCC1(CC1)CO 2230a_100000757901_100000210303 [0,0,1,1,0,0|2,0,0]=4 1365 B10R1.459 OCC1(CC1)CNCCF 2230a_100000757901_100011217306 [0,0,1,1,0,0|2,0,0]=4 1366 B10R1.459 OCCNCC1(CC1)CO 2230a_100000757901_100000211926 [0,0,1,1,0,0|1,0,0]=3 1367 B8R1.1 CCN1CCC(C1)O 2230a_100011215560_100000210202 [1,0,0,0,1,0|2,0,0]=4 1368 B8R1.1 CCN1CCC(C1)O 269982a_100011215560_100000204670 [1,0,0,0,1,0|2,0,0]=4 1369 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [1,0,0,0,1,0|2,0,0]=4 1370 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [1,0,0,0,1,0|2,0,0]=4 1371 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [1,0,0,0,1,0|2,0,0]=4 1372 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [1,0,0,0,1,0|2,0,0]=4 1373 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [1,0,0,0,1,0|2,0,0]=4 1374 B8R1.1 OC1CCN(C1)CF 269982a_100011215560_100015361967 [1,0,0,0,1,0|2,0,0]=4 1375 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [1,0,0,0,1,0|2,0,0]=4 1376 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [1,0,0,0,1,0|2,0,0]=4 1377 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [1,0,0,0,1,0|2,0,0]=4 1378 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [1,0,0,0,1,0|2,0,0]=4 1379 B10R0.29 CCC[C@@H](CO)NC(C)CO 2230a_100000732646_100012180447 [0,0,1,0,0,1|2,0,0]=4 1380 B10R0.29 CCC[C@@H](CO)NC(C)CO 34a_100000732646_100012180447 [0,0,1,0,0,1|2,0,0]=4 1381 B10R0.29 COCC(CO)NC(C)CO 2230a_100000724102_100012180447 [0,0,1,0,0,1|2,0,0]=4 1382 B10R0.29 COCC(CO)NC(C)CO 34a_100000724102_100012180447 [0,0,1,0,0,1|2,0,0]=4