0 B7R0.4 C#CCCCN(C)C 2230a_100102631434_100000731252 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.4 C#CCCCN(C)C 269982a_100102631434_100011215417 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 C#CCCNC(C)C 2230a_100138425928_100000688953 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 C#CCCNC(C)C 34a_100000755551_100000210206 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 C#CCCNC(C)C 34a_100138425928_100000688953 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 C#CCCOC(C)C 34a_100000212225_100000688953 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 C#CCCOC(C)C 34a_100011215631_100000210206 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 C#CCCSC(C)C 62a_100000210206_100000688953 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 C#CCCSC(C)C 62a_100000688953_100000210206 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 C#CCNCC(C)C 2230a_100000210953_100000038162 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.4 C#CCNCC(C)C 34a_100000210953_100000184674 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.4 C#CCNCC(C)C 34a_100000212058_100000210624 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.4 C#CCOCC(C)C 34a_100000210247_100000210624 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.4 C#CCOCC(C)C 34a_100000210257_100000184674 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.4 C#CCSCC(C)C 62a_100000038162_100000210760 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,0,0,0,0,0|1,0,3]=4 21 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,0,0,0,0,0|1,0,3]=4 22 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,0,0,0,0,0|1,0,3]=4 23 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,0,0,0,0,0|2,0,2]=4 25 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [0,0,0,0,0,0|3,0,0]=3 32 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [0,0,0,0,0,0|3,0,0]=3 34 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,0,0,0,0,0|3,0,0]=3 36 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,0,0,0,0,0|3,0,0]=3 37 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,0,0,0,0,0|3,0,0]=3 38 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [0,0,0,0,0,0|3,0,0]=3 39 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [0,0,0,0,0,0|3,0,0]=3 40 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [0,0,0,0,0,0|3,0,0]=3 41 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [0,0,0,0,0,0|3,0,0]=3 42 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [0,0,0,0,0,0|4,0,0]=4 44 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [0,0,0,0,0,0|4,0,0]=4 45 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [0,0,0,0,0,0|4,0,0]=4 46 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [0,0,0,0,0,0|4,0,0]=4 47 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [0,0,0,0,0,0|4,0,0]=4 51 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [0,0,0,0,0,0|4,0,0]=4 52 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [0,0,0,0,0,0|4,0,0]=4 53 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [0,0,0,0,0,0|4,0,0]=4 54 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [0,0,0,0,0,0|4,0,0]=4 57 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [0,0,0,0,0,0|4,0,0]=4 58 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [0,0,0,0,0,0|4,0,0]=4 59 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [0,0,0,0,0,0|4,0,0]=4 60 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,0,0,0,0,0|2,0,1]=3 61 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [0,0,0,0,0,0|2,0,0]=2 62 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [0,0,0,0,0,0|2,0,0]=2 63 B7R0.4 CC#CCNC(C)C 2230a_100000685387_100000210206 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.4 CC#CCNC(C)C 2230a_100138425928_100000748600 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.4 CC#CCNC(C)C 34a_100000685387_100000210206 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.4 CC#CCNC(C)C 34a_100138425928_100000748600 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.4 CC#CCOC(C)C 34a_100000212225_100000748600 [0,0,0,0,0,0|3,0,1]=4 68 B7R0.4 CC#CCOC(C)C 34a_100000761923_100000210206 [0,0,0,0,0,0|3,0,1]=4 69 B7R0.4 CC#CCSC(C)C 62a_100000210206_100000748600 [0,0,0,0,0,0|3,0,1]=4 70 B7R0.4 CC#CCSC(C)C 62a_100000748600_100000210206 [0,0,0,0,0,0|3,0,1]=4 71 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [0,0,0,0,0,0|1,0,3]=4 72 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,0,0,0,0,0|2,0,2]=4 73 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,0,0,0,0,0|2,0,2]=4 74 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [0,0,0,0,0,0|2,0,1]=3 76 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,0,0,0,0,0|3,0,0]=3 77 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,0,0,0,0,0|3,0,0]=3 78 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,0,0,0,0,0|3,0,0]=3 79 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,0,0,0,0,0|3,0,0]=3 80 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,0,0,0,0,0|3,0,0]=3 81 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,0,0,0,0,0|3,0,0]=3 82 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,0,0,0,0,0|3,0,0]=3 83 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [0,0,0,0,0,0|1,0,1]=2 84 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [0,0,0,0,0,0|1,0,1]=2 85 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [0,0,0,0,0,0|1,1,1]=3 86 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [0,0,0,0,0,0|1,1,1]=3 87 B7R0.4 CC(C)CNCC#N 2230a_100000210953_100011215382 [0,0,0,0,0,0|3,0,1]=4 88 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,0,0,0,0,0|2,0,0]=2 89 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,0,0,0,0,0|2,0,0]=2 90 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [0,0,0,0,0,0|3,0,1]=4 91 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [0,0,0,0,0,0|3,0,1]=4 92 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [0,0,0,0,0,0|3,0,1]=4 93 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,0,0,0,0,0|2,0,2]=4 94 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,0,0,0,0,0|2,0,2]=4 95 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,0,0,0,0,0|2,0,2]=4 96 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,0,0,0,0,0|2,0,2]=4 97 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,0,0,0,0,0|2,0,2]=4 98 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,0,0,0,0,0|2,0,0]=2 99 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [0,0,0,0,0,0|3,0,1]=4 100 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [0,0,0,0,0,0|3,0,1]=4 101 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [0,0,0,0,0,0|3,0,1]=4 102 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,0,0,0,0,0|2,0,2]=4 103 B7R0.4 CC(C)CSCC#N 62a_100000210624_100011215382 [0,0,0,0,0,0|3,0,1]=4 104 B7R0.4 CC(C)CSCC#N 62a_100011215382_100000210760 [0,0,0,0,0,0|3,0,1]=4 105 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,0,0,0,0,0|2,0,0]=2 106 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,0,0,0,0,0|2,0,0]=2 107 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [0,0,0,0,0,0|3,0,1]=4 108 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [0,0,0,0,0,0|3,0,1]=4 109 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,0,0,0,0,0|2,0,2]=4 110 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,0,0,0,0,0|2,0,2]=4 111 B7R0.4 CC(C)NCCC#N 2230a_100138425928_100011215226 [0,0,0,0,0,0|3,0,1]=4 112 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [0,0,0,0,0,0|3,0,1]=4 113 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [0,0,0,0,0,0|3,0,1]=4 114 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [0,0,0,0,0,0|3,0,1]=4 115 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [0,0,0,0,0,0|3,0,1]=4 116 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,0,0,0,0,0|2,0,2]=4 117 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,0,0,0,0,0|2,0,2]=4 118 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [0,0,0,0,0,0|4,0,0]=4 119 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [0,0,0,0,0,0|3,0,1]=4 121 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [0,0,0,0,0,0|3,0,1]=4 122 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [0,0,0,0,0,0|3,0,1]=4 123 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,0,0,0,0,0|2,0,2]=4 125 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [0,0,0,0,0,0|4,0,0]=4 126 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [0,0,0,0,0,0|4,0,0]=4 127 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [0,0,0,0,0,0|4,0,0]=4 128 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [0,0,0,0,0,0|4,0,0]=4 129 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [0,0,0,0,0,0|4,0,0]=4 130 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,0,0,0,0,0|4,0,0]=4 131 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,0,0,0,0,0|4,0,0]=4 132 B7R0.4 CC(C)OCSCF 62a_100000709892_100015361967 [0,0,0,0,0,0|2,1,1]=4 133 B7R0.4 CC(C)OCSCF 62a_100015361967_100000709892 [0,0,0,0,0,0|2,1,1]=4 134 B7R0.4 CC(C)SCCC#N 62a_100000210206_100011215226 [0,0,0,0,0,0|3,0,1]=4 135 B7R0.4 CC(C)SCCC#N 62a_100011215226_100000210206 [0,0,0,0,0,0|3,0,1]=4 136 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [0,0,0,0,0,0|3,0,1]=4 137 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [0,0,0,0,0,0|3,0,1]=4 138 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [0,0,0,0,0,0|2,0,2]=4 139 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [0,0,0,0,0,0|2,0,2]=4 140 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [0,0,0,0,0,0|4,0,0]=4 141 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [0,0,0,0,0,0|4,0,0]=4 142 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [0,0,0,0,0,0|4,0,0]=4 143 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [0,0,0,0,0,0|4,0,0]=4 144 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [0,0,0,0,0,0|4,0,0]=4 145 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [0,0,0,0,0,0|4,0,0]=4 146 B7R0.4 CC(C)SCSC#N 62a_100000210206_100000211825 [0,0,0,0,0,0|2,1,1]=4 147 B7R0.4 CC(C)SCSC#N 62a_100000211825_100000210206 [0,0,0,0,0,0|2,1,1]=4 148 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,0,0,0,0,0|3,0,0]=3 149 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,0,0,0,0,0|4,0,0]=4 150 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,0,0,0,0,0|4,0,0]=4 151 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,0,0,0,0,0|2,1,1]=4 152 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,0,0,0,0,0|2,1,1]=4 153 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,0,0,0,0,0|3,0,0]=3 154 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,0,0,0,0,0|3,0,0]=3 155 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,0,0,0,0,0|3,0,0]=3 156 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,0,0,0,0,0|3,0,0]=3 157 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [0,0,0,0,0,0|3,0,0]=3 158 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [0,0,0,0,0,0|3,0,0]=3 159 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [0,0,0,0,0,0|3,0,0]=3 160 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [0,0,0,0,0,0|3,0,0]=3 161 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [0,0,0,0,0,0|3,0,0]=3 162 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [0,0,0,0,0,0|4,0,0]=4 163 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,0,0,0,0,0|3,0,1]=4 164 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,0,0,0,0,0|3,0,1]=4 165 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,0,0,0,0,0|3,0,1]=4 166 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,0,0,0,0,0|3,0,1]=4 167 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,0,0,0,0,0|3,0,1]=4 168 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,0,0,0,0,0|3,0,1]=4 169 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [0,0,0,0,0,0|3,0,1]=4 170 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [0,0,0,0,0,0|3,0,1]=4 171 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [0,0,0,0,0,0|3,0,1]=4 172 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [0,0,0,0,0,0|3,0,1]=4 173 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,0,0,0,0,0|3,0,1]=4 174 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,0,0,0,0,0|3,0,1]=4 175 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,0,0,0,0,0|3,0,1]=4 176 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [0,0,0,0,0,0|3,0,1]=4 177 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [0,0,0,0,0,0|3,0,1]=4 178 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,0,0,0,0,0|3,0,1]=4 179 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,0,0,0,0,0|3,0,1]=4 180 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,0,0,0,0,0|3,0,1]=4 181 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,0,0,0,0,0|3,0,1]=4 182 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,0,0,0,0,0|3,0,1]=4 183 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,0,0,0,0,0|3,0,1]=4 184 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,0,0,0,0,0|3,0,1]=4 185 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [0,0,0,0,0,0|2,0,1]=3 186 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [0,0,0,0,0,0|2,0,1]=3 187 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,0,0,0,0,0|3,0,1]=4 188 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,0,0,0,0,0|3,0,1]=4 189 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [0,0,0,0,0,0|3,0,1]=4 190 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,0,0,0,0,0|1,0,3]=4 191 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,0,0,0,0,0|1,0,3]=4 192 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,0,0,0,0,0|2,0,2]=4 193 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,0,0,0,0,0|2,0,2]=4 194 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,0,0,0,0,0|2,0,2]=4 195 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,0,0,0,0,0|2,0,2]=4 196 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,0,0,0,0,0|2,0,2]=4 197 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,0,0,0,0,0|2,0,1]=3 198 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,0,0,0,0,0|1,0,1]=2 199 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,0,0,0,0,0|1,0,1]=2 200 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,0,0,0,0,0|1,0,1]=2 201 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,0,0,0,0,0|2,0,1]=3 202 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [0,0,0,0,0,0|3,0,1]=4 203 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,0,0,0,0,0|2,0,1]=3 204 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,0,0,0,0,0|2,0,1]=3 205 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,0,0,0,0,0|2,0,1]=3 206 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [0,0,0,0,0,0|2,0,1]=3 207 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [0,0,0,0,0,0|2,0,1]=3 208 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [0,0,0,0,0,0|2,0,1]=3 209 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [0,0,0,0,0,0|1,1,1]=3 210 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [0,0,0,0,0,0|1,1,1]=3 211 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,0,0,0,0,0|2,1,1]=4 212 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,0,0,0,0,0|2,1,1]=4 213 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [0,0,0,0,0,0|2,1,1]=4 214 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [0,0,0,0,0,0|2,1,1]=4 215 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [0,0,0,0,0,0|2,1,1]=4 216 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [0,0,0,0,0,0|2,1,1]=4 217 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [0,0,0,0,0,0|2,1,1]=4 218 B7R0.4 CN(C)CCCC#N 2230a_100102631434_100000687738 [0,0,0,0,0,0|3,0,1]=4 219 B7R0.4 CN(C)CCCC#N 269982a_100102631434_100000687738 [0,0,0,0,0,0|3,0,1]=4 220 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,0,0,0,0,0|2,0,0]=2 221 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,0,0,0,0,0|2,0,0]=2 222 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [0,0,0,0,0,0|3,0,1]=4 223 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [0,0,0,0,0,0|3,0,1]=4 224 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,0,0,0,0,0|2,0,2]=4 225 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,0,0,0,0,0|2,0,2]=4 226 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,0,0,0,0,0|2,0,2]=4 227 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,0,0,0,0,0|2,0,2]=4 228 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [0,0,0,0,0,0|4,0,0]=4 229 B7R0.4 CN(C)CCSC#N 269982a_100102631434_100000034367 [0,0,0,0,0,0|2,1,1]=4 230 B7R0.4 CN(C)CCSCF 62a_100015361967_100000755713 [0,0,0,0,0,0|2,1,1]=4 231 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,0,0,0,0,0|2,0,2]=4 232 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,0,0,0,0,0|2,0,2]=4 233 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,0,0,0,0,0|3,0,0]=3 234 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,0,0,0,0,0|3,0,0]=3 235 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,0,0,0,0,0|3,0,0]=3 236 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,0,0,0,0,0|3,0,0]=3 237 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,0,0,0,0,0|3,0,0]=3 238 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,0,0,0,0,0|4,0,0]=4 239 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,0,0,0,0,0|4,0,0]=4 240 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,0,0,0,0,0|4,0,0]=4 241 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [0,0,0,0,0,0|4,0,0]=4 242 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [0,0,0,0,0,0|4,0,0]=4 243 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [0,0,0,0,0,0|4,0,0]=4 244 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [0,0,0,0,0,0|4,0,0]=4 245 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [0,0,0,0,0,0|4,0,0]=4 246 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [0,0,0,0,0,0|4,0,0]=4 247 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [0,0,0,0,0,0|4,0,0]=4 248 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [0,0,0,0,0,0|4,0,0]=4 249 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [0,0,0,0,0,0|4,0,0]=4 250 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [0,0,0,0,0,0|4,0,0]=4 251 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [0,0,0,0,0,0|4,0,0]=4 252 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,0,0,0,0,0|3,0,0]=3 253 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,0,0,0,0,0|3,0,0]=3 254 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,0,0,0,0,0|3,0,0]=3 255 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,0,0,0,0,0|4,0,0]=4 256 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [0,0,0,0,0,0|4,0,0]=4 257 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [0,0,0,0,0,0|4,0,0]=4 258 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [0,0,0,0,0,0|4,0,0]=4 259 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [0,0,0,0,0,0|4,0,0]=4 260 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [0,0,0,0,0,0|4,0,0]=4 261 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [0,0,0,0,0,0|4,0,0]=4 262 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [0,0,0,0,0,0|4,0,0]=4 263 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [0,0,0,0,0,0|4,0,0]=4 264 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [0,0,0,0,0,0|4,0,0]=4 265 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [0,0,0,0,0,0|4,0,0]=4 266 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [0,0,0,0,0,0|4,0,0]=4 267 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [0,0,0,0,0,0|4,0,0]=4 268 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [0,0,0,0,0,0|4,0,0]=4 269 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [0,0,0,0,0,0|4,0,0]=4 270 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [0,0,0,0,0,0|4,0,0]=4 271 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [0,0,0,0,0,0|4,0,0]=4 272 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [0,0,0,0,0,0|4,0,0]=4 273 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [0,0,0,0,0,0|4,0,0]=4 274 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [0,0,0,0,0,0|4,0,0]=4 275 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [0,0,0,0,0,0|4,0,0]=4 276 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,0,0,0,0,0|4,0,0]=4 277 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [0,0,0,0,0,0|4,0,0]=4 278 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [0,0,0,0,0,0|4,0,0]=4 279 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,0,0,0,0,0|3,0,0]=3 280 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,0,0,0,0,0|3,0,0]=3 281 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,0,0,0,0,0|4,0,0]=4 282 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,0,0,0,0,0|4,0,0]=4 283 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [0,0,0,0,0,0|4,0,0]=4 284 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [0,0,0,0,0,0|4,0,0]=4 285 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [0,0,0,0,0,0|4,0,0]=4 286 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [0,0,0,0,0,0|4,0,0]=4 287 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,0,0,0,0,0|4,0,0]=4 288 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,0,0,0,0,0|4,0,0]=4 289 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,0,0,0,0,0|4,0,0]=4 290 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,0,0,0,0,0|4,0,0]=4 291 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,0,0,0,0,0|4,0,0]=4 292 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [0,0,0,0,0,0|4,0,0]=4 293 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [0,0,0,0,0,0|4,0,0]=4 294 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [0,0,0,0,0,0|4,0,0]=4 295 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [0,0,0,0,0,0|4,0,0]=4 296 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,0,0,0,0,0|4,0,0]=4 297 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,0,0,0,0,0|4,0,0]=4 298 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,0,0,0,0,0|4,0,0]=4 299 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [0,0,0,0,0,0|4,0,0]=4 300 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [0,0,0,0,0,0|4,0,0]=4 301 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,0,0,0,0,0|3,0,0]=3 302 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [0,0,0,0,0,0|2,0,1]=3 303 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,0,0,0,0,0|3,0,0]=3 304 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,0,0,0,0,0|3,0,0]=3 305 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,0,0,0,0,0|3,0,0]=3 306 B7R0.4 FCOCCC(F)F 34a_100103093639_100015361967 [0,0,0,0,0,0|3,0,1]=4 307 B7R0.4 O=CCNCC(F)F 34a_100000765723_200009817547 [0,0,0,0,0,0|4,0,0]=4 308 B7R0.4 O=CCOCC(F)F 34a_100000743014_200009817547 [0,0,0,0,0,0|4,0,0]=4 309 B7R0.4 O=CCSCC(F)F 62a_100011934356_200015260668 [0,0,0,0,0,0|4,0,0]=4 310 B7R0.4 O=CCSCC(F)F 62a_200015260668_100011934356 [0,0,0,0,0,0|4,0,0]=4 311 B6R0.4 C#CCCN(C)C 2230a_100102631434_100000688953 [1,0,0,0,0,0|2,0,1]=4 312 B6R0.4 C#CCCN(C)C 269982a_100102631434_100000730999 [1,0,0,0,0,0|2,0,1]=4 313 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [1,0,0,0,0,0|2,0,1]=4 314 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [1,0,0,0,0,0|2,0,1]=4 315 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [1,0,0,0,0,0|2,0,1]=4 316 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [1,0,0,0,0,0|2,0,1]=4 317 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [1,0,0,0,0,0|2,0,1]=4 318 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [1,0,0,0,0,0|2,0,1]=4 319 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [1,0,0,0,0,0|2,0,1]=4 320 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,0,0,0,0|0,0,3]=4 321 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,0,0,0,0|0,0,3]=4 322 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,0,0,0,0|0,0,3]=4 323 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [1,0,0,0,0,0|2,0,0]=3 327 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [1,0,0,0,0,0|2,0,0]=3 328 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [1,0,0,0,0,0|2,0,0]=3 329 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [1,0,0,0,0,0|2,0,0]=3 330 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [1,0,0,0,0,0|2,0,0]=3 331 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [1,0,0,0,0,0|2,0,0]=3 332 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,0,0,0,0,0|2,0,0]=3 333 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,0,0,0,0,0|2,0,0]=3 334 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,0,0,0,0,0|2,0,0]=3 335 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,0,0,0,0,0|2,0,0]=3 336 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,0,0,0,0,0|2,0,0]=3 337 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,0,0,0,0,0|2,0,0]=3 338 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,0,0,0,0,0|2,0,0]=3 339 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [1,0,0,0,0,0|0,0,3]=4 340 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|1,0,2]=4 341 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|1,0,2]=4 342 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,0,0,0,0,0|1,0,1]=3 343 B6R0.4 CC(Br)COCF 34a_100012180447_100015361967 [1,0,0,0,0,0|2,0,1]=4 344 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,0,0,0,0,0|0,0,1]=2 345 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,0,0,0,0,0|0,0,1]=2 346 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,0,0,0,0,0|0,1,1]=3 347 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,0,0,0,0,0|0,1,1]=3 348 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,0,0,0,0,0|2,0,1]=4 349 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,0,0,0,0,0|1,0,1]=3 350 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,0,0,0,0,0|1,1,1]=4 351 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,0,0,0,0,0|1,1,1]=4 352 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [1,0,0,0,0,0|2,0,1]=4 353 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,0,0,0,0,0|1,0,0]=2 354 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,0,0,0,0,0|1,0,0]=2 355 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,0,0,0,0,0|2,0,1]=4 356 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,0,0,0,0,0|2,0,1]=4 357 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,0,0,0,0,0|2,0,1]=4 358 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,0,0,0,0,0|1,0,2]=4 359 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,0,0,0,0,0|1,0,2]=4 360 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,0,0,0,0,0|1,0,2]=4 361 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,0,0,0,0,0|1,0,2]=4 362 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,0,0,0,0,0|1,0,0]=2 363 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,0,0,0,0,0|2,0,1]=4 364 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,0,0,0,0,0|2,0,1]=4 365 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,0,0,0,0,0|2,0,1]=4 366 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,0,0,0,0,0|1,0,2]=4 367 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,0,0,0,0,0|1,1,1]=4 368 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,0,0,0,0,0|1,1,1]=4 369 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [1,0,0,0,0,0|2,0,1]=4 370 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [1,0,0,0,0,0|2,0,1]=4 371 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,0,0,0,0,0|1,0,0]=2 372 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,0,0,0,0,0|1,0,0]=2 373 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,0,0,0,0,0|2,0,1]=4 374 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,0,0,0,0,0|2,0,1]=4 375 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,0,0,0,0,0|1,0,2]=4 376 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,0,0,0,0,0|1,0,2]=4 377 B6R0.4 CC(F)COCF 34a_100015925927_100015361967 [1,0,0,0,0,0|2,0,1]=4 378 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,0,0,0,0|2,0,1]=4 379 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,0,0,0,0|1,1,1]=4 380 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,0,0,0,0|1,1,1]=4 381 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [1,0,0,0,0,0|2,0,1]=4 382 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [1,0,0,0,0,0|3,0,0]=4 383 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,0,0,0,0|2,0,1]=4 384 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,0,0,0,0|2,0,1]=4 385 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,0,0,0,0|2,0,1]=4 386 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,0,0,0,0|2,0,1]=4 387 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,0,0,0,0|2,0,1]=4 388 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,0,0,0,0|2,0,1]=4 389 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,0,0,0,0,0|2,0,1]=4 390 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,0,0,0,0,0|2,0,1]=4 391 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,0,0,0,0|2,0,1]=4 392 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,0,0,0,0|2,0,1]=4 393 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,0,0,0,0,0|2,0,1]=4 394 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,0,0,0,0,0|2,0,1]=4 395 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,0,0,0,0,0|2,0,1]=4 396 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,0,0,0,0,0|2,0,1]=4 397 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,0,0,0,0,0|2,0,1]=4 398 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,0,0,0,0,0|2,0,1]=4 399 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,0,0,0,0,0|2,0,1]=4 400 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,0,0,0,0|1,0,1]=3 401 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,0,0,0,0|1,0,1]=3 402 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,0,0,0,0,0|2,0,1]=4 403 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,0,0,0,0,0|2,0,1]=4 404 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [1,0,0,0,0,0|2,0,1]=4 405 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,0,0,0,0,0|2,0,1]=4 406 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,0,0,0,0,0|2,0,1]=4 407 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,0,0,0,0,0|2,0,1]=4 408 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,0,0,0,0,0|1,1,1]=4 409 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,0,0,0,0,0|1,1,1]=4 410 B6R0.4 CN(C)CCC#N 2230a_100000184479_200000210301 [1,0,0,0,0,0|2,0,1]=4 411 B6R0.4 CN(C)CCC#N 2230a_100102631434_100011215226 [1,0,0,0,0,0|2,0,1]=4 412 B6R0.4 CN(C)CCC#N 269982a_100102631434_100011215226 [1,0,0,0,0,0|2,0,1]=4 413 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [1,0,0,0,0,0|2,0,1]=4 414 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [1,0,0,0,0,0|2,0,1]=4 415 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,0,0,0,0,0|1,0,2]=4 416 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,0,0,0,0,0|1,0,2]=4 417 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,0,0,0,0,0|1,0,2]=4 418 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,0,0,0,0,0|1,0,2]=4 419 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,0,0,0,0,0|1,1,1]=4 420 B6R0.4 CN([13CH3])CCC#N 2230a_100000184479_200025704644 [1,0,0,0,0,0|2,0,1]=4 421 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,0,0,0,0,0|1,0,2]=4 422 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,0,0,0,0,0|1,0,2]=4 423 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,0,0,0,0,0|1,0,1]=3 424 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,0,0,0,0,0|1,0,1]=3 425 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,0,0,0,0,0|1,0,1]=3 426 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,0,0,0,0,0|1,0,1]=3 427 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,0,0,0,0|2,0,1]=4 428 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,0,0,0,0|2,0,1]=4 429 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,0,0,0,0|2,0,1]=4 430 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,0,0,0,0|2,0,1]=4 431 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,0,0,0,0,0|2,0,1]=4 432 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,0,0,0,0,0|2,0,1]=4 433 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,0,0,0,0,0|2,0,1]=4 434 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [1,0,0,0,0,0|0,0,3]=4 435 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [1,0,0,0,0,0|0,0,3]=4 436 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|1,0,2]=4 437 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|1,0,2]=4 438 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|1,0,2]=4 439 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|1,0,2]=4 440 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|1,0,2]=4 441 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,0,0,0,0,0|1,0,1]=3 442 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,0,0,0,0,0|0,0,1]=2 443 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,0,0,0,0,0|0,0,1]=2 444 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,0,0,0,0,0|0,0,1]=2 445 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,0,0,0,0|1,0,1]=3 446 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [1,0,0,0,0,0|2,0,1]=4 447 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,0,0,0,0,0|1,0,1]=3 448 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,0,0,0,0,0|1,0,1]=3 449 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,0,0,0,0,0|1,0,1]=3 450 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,0,0,0,0,0|1,0,1]=3 451 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,0,0,0,0,0|1,0,1]=3 452 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,0,0,0,0,0|1,0,1]=3 453 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,0,0,0,0,0|1,0,1]=3 454 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,0,0,0,0,0|1,0,1]=3 455 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,0,0,0,0,0|1,0,1]=3 456 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,0,0,0,0,0|1,0,1]=3 457 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,0,0,0,0,0|1,0,1]=3 458 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,0,0,0,0,0|0,1,1]=3 459 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,0,0,0,0,0|0,1,1]=3 460 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,0,0,0,0|1,1,1]=4 461 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,0,0,0,0|1,1,1]=4 462 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,0,0,0,0,0|1,1,1]=4 463 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,0,0,0,0,0|1,1,1]=4 464 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,0,0,0,0,0|1,1,1]=4 465 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,0,0,0,0,0|1,1,1]=4 466 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,0,0,0,0,0|1,1,1]=4 467 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,0,0,0,0,0|1,1,1]=4 468 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,0,0,0,0,0|1,1,1]=4 469 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,0,0,0,0,0|1,1,1]=4 470 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,0,0,0,0,0|1,1,1]=4 471 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,0,0,0,0,0|1,1,1]=4 472 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,0,0,0,0,0|1,1,1]=4 473 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,0,0,0,0,0|1,1,1]=4 474 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,0,0,0,0,0|1,1,1]=4 475 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,0,0,0,0,0|1,1,1]=4 476 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [1,0,0,0,0,0|2,0,1]=4 477 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,0,0,0,0,0|1,0,1]=3 478 B6R0.4 C[C@@H](N)COCF 34a_100000737577_100015361967 [1,0,0,0,0,0|2,0,1]=4 479 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [1,0,0,0,0,0|2,0,1]=4 480 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,0,0,0,0,0|3,0,0]=4 481 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,0,0,0,0,0|3,0,0]=4 482 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,0,0,0,0|3,0,0]=4 483 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,0,0,0,0|3,0,0]=4 484 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,0,0,0,0|3,0,0]=4 485 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,0,0,0,0|3,0,0]=4 486 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,0,0,0,0,0|3,0,0]=4 487 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,0,0,0,0,0|3,0,0]=4 488 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,0,0,0,0,0|3,0,0]=4 489 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,0,0,0,0,0|3,0,0]=4 490 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,0,0,0,0,0|3,0,0]=4 491 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,0,0,0,0,0|3,0,0]=4 492 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,0,0,0,0,0|3,0,0]=4 493 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,0,0,0,0,0|3,0,0]=4 494 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,0,0,0,0,0|3,0,0]=4 495 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,0,0,0,0,0|3,0,0]=4 496 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,0,0,0,0,0|3,0,0]=4 497 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,0,0,0,0,0|3,0,0]=4 498 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,0,0,0,0|3,0,0]=4 499 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,0,0,0,0|3,0,0]=4 500 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,0,0,0,0|3,0,0]=4 501 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,0,0,0,0|3,0,0]=4 502 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,0,0,0,0,0|3,0,0]=4 503 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,0,0,0,0,0|3,0,0]=4 504 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,0,0,0,0|3,0,0]=4 505 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,0,0,0,0|3,0,0]=4 506 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,0,0,0,0|3,0,0]=4 507 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,0,0,0,0|3,0,0]=4 508 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,0,0,0,0|3,0,0]=4 509 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,0,0,0,0|3,0,0]=4 510 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,0,0,0,0|3,0,0]=4 511 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,0,0,0,0|3,0,0]=4 512 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,0,0,0,0|3,0,0]=4 513 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [1,0,0,0,0,0|2,0,0]=3 514 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [1,0,0,0,0,0|2,0,0]=3 515 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [1,0,0,0,0,0|2,0,0]=3 516 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [1,0,0,0,0,0|2,0,0]=3 517 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [1,0,0,0,0,0|2,0,0]=3 518 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [1,0,0,0,0,0|2,0,0]=3 519 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [1,0,0,0,0,0|2,0,0]=3 520 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [1,0,0,0,0,0|2,0,0]=3 521 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [1,0,0,0,0,0|2,0,0]=3 522 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [1,0,0,0,0,0|2,0,0]=3 523 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,0,0,0,0|3,0,0]=4 524 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,0,0,0,0|3,0,0]=4 525 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,0,0,0,0|3,0,0]=4 526 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,0,0,0,0|3,0,0]=4 527 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,0,0,0,0|3,0,0]=4 528 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|3,0,0]=4 529 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|3,0,0]=4 530 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|3,0,0]=4 531 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|3,0,0]=4 532 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|3,0,0]=4 533 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|3,0,0]=4 534 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|3,0,0]=4 535 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|3,0,0]=4 536 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|3,0,0]=4 537 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|3,0,0]=4 538 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|3,0,0]=4 539 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|3,0,0]=4 540 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|3,0,0]=4 541 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|3,0,0]=4 542 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|2,0,1]=4 543 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|2,0,1]=4 544 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|2,0,1]=4 545 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,0,0,0,0,0|2,0,1]=4 546 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|1,0,1]=3 547 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|1,0,1]=3 548 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|1,0,1]=3 549 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|1,0,1]=3 550 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|1,0,1]=3 551 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|1,1,1]=4 552 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|1,1,1]=4 553 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,0,0,0,0|1,1,1]=4 554 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,0,0,0,0|1,1,1]=4 555 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,0,0,0,0|2,0,0]=3 556 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,0,0,0,0|2,0,0]=3 557 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,0,0,0,0|2,0,0]=3 558 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [1,0,0,0,0,0|2,0,1]=4 559 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [1,0,0,0,0,0|2,0,1]=4 560 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [1,0,0,0,0,0|2,0,1]=4 561 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [1,0,0,0,0,0|2,0,1]=4 562 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,0,0,0,0|2,0,1]=4 563 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,0,0,0,0,0|2,0,1]=4 564 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,0,0,0,0|2,0,1]=4 565 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,0,0,0,0|2,0,1]=4 566 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,0,0,0,0|2,0,1]=4 567 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,0,0,0,0|2,0,1]=4 568 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,0,0,0,0|2,0,1]=4 569 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,0,0,0,0|2,0,1]=4 570 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,0,0,0,0|2,0,1]=4 571 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [1,0,0,0,0,0|2,0,1]=4 572 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [1,0,0,0,0,0|2,0,1]=4 573 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [1,0,0,0,0,0|2,0,1]=4 574 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [1,0,0,0,0,0|2,0,1]=4 575 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [1,0,0,0,0,0|2,0,1]=4 576 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [1,0,0,0,0,0|2,0,1]=4 577 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [1,0,0,0,0,0|2,0,1]=4 578 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [1,0,0,0,0,0|2,0,1]=4 579 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [1,0,0,0,0,0|2,0,1]=4 580 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [1,0,0,0,0,0|2,0,1]=4 581 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [1,0,0,0,0,0|2,0,1]=4 582 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [1,0,0,0,0,0|2,0,1]=4 583 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [1,0,0,0,0,0|2,0,1]=4 584 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [1,0,0,0,0,0|2,0,1]=4 585 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [1,0,0,0,0,0|2,0,1]=4 586 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [1,0,0,0,0,0|2,0,1]=4 587 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,0,0,0,0|2,0,0]=3 588 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,0,0,0,0|2,0,0]=3 589 B6R0.6 COCCOCF 34a_100000210237_100015361967 [1,0,0,0,0,0|2,0,1]=4 590 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,0,0,0,0,0|3,0,0]=4 591 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,0,0,0,0,0|3,0,0]=4 592 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,0,0,0,0|2,0,0]=3 593 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,0,0,0,0|2,0,0]=3 594 B6R0.6 CSCCOCF 34a_100000230434_100015361967 [1,0,0,0,0,0|2,0,1]=4 595 B6R0.6 CSCCOCF 7a_100000230434_100015361967 [1,0,0,0,0,0|2,0,1]=4 596 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,0,0,0,0,0|3,0,0]=4 597 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,0,0,0,0,0|3,0,0]=4 598 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [1,0,0,0,0,0|2,0,1]=4 599 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [1,0,0,0,0,0|2,0,1]=4 600 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [1,0,0,0,0,0|2,0,1]=4 601 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [1,0,0,0,0,0|2,0,1]=4 602 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,0,0,0,0,0|3,0,0]=4 603 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,0,0,0,0,0|3,0,0]=4 604 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,0,0,0,0,0|3,0,0]=4 605 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,0,0,0,0,0|3,0,0]=4 606 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,0,0,0,0,0|3,0,0]=4 607 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,0,0,0,0,0|3,0,0]=4 608 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,0,0,0,0,0|3,0,0]=4 609 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,0,0,0,0|3,0,0]=4 610 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,0,0,0,0|3,0,0]=4 611 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,0,0,0,0|2,0,0]=3 612 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,0,0,0,0|2,0,0]=3 613 B8R0.5 C/C=C/C(C)OC(C)C 34a_200102604097_100000210206 [0,1,0,0,0,0|3,0,0]=4 614 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210193_100000210624 [0,1,0,0,0,0|2,0,1]=4 615 B8R0.5 C=CCC(=O)CC(C)C 1458a_100000210554_100000210623 [0,1,0,0,0,0|2,0,1]=4 616 B8R0.5 C=CCN(C)CC(C)C 2230a_100000225617_100000210760 [0,1,0,0,0,0|3,0,0]=4 617 B8R0.5 C=CCN(C)CC(C)C 2230a_100000747067_100000210623 [0,1,0,0,0,0|3,0,0]=4 618 B8R0.5 C=CCN(C)CC(C)C 269982a_100000225617_100000210624 [0,1,0,0,0,0|3,0,0]=4 619 B8R0.5 C=CCN(C)CC(C)C 269982a_100000747067_100000210623 [0,1,0,0,0,0|3,0,0]=4 620 B8R0.5 C=CCN(C)CC(C)C 270004a_100000225617_100000210432 [0,1,0,0,0,0|3,0,0]=4 621 B8R0.5 C=CC[C@@H](C)OC(C)C 34a_100000731007_100000210206 [0,1,0,0,0,0|3,0,0]=4 622 B8R0.5 C=CC[C@@H](C)OC(C)C 7a_100000731007_100000210206 [0,1,0,0,0,0|3,0,0]=4 623 B8R0.5 C=COC(=O)CN(C)C 2230a_100102631434_100000036128 [0,1,0,0,0,0|2,0,1]=4 624 B8R0.5 C=COC(=O)CN(C)C 269982a_100102631434_100000036128 [0,1,0,0,0,0|2,0,1]=4 625 B8R0.5 CC(C)CC(=O)C=CBr 1458a_100016273825_100000210624 [0,1,0,0,0,0|2,0,1]=4 626 B8R0.5 CC(C)CC(=O)C=CCl 1458a_200016279998_100000210624 [0,1,0,0,0,0|2,0,1]=4 627 B8R0.5 CC(C)CC(=O)C=CI 1458a_100016256311_100000210624 [0,1,0,0,0,0|2,0,1]=4 628 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [0,1,0,0,0,0|1,0,1]=3 629 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [0,1,0,0,0,0|1,0,1]=3 630 B8R0.5 CC(C)CC(C)SCF 62a_100000731052_100015361967 [0,1,0,0,0,0|1,1,1]=4 631 B8R0.5 CC(C)CC(C)SCF 62a_100015361967_100000731052 [0,1,0,0,0,0|1,1,1]=4 632 B8R0.5 CC(C)CN(C)CC=O 2230a_100000747067_200015260668 [0,1,0,0,0,0|2,0,0]=3 633 B8R0.5 CC(C)CN(C)CC=O 269982a_100000747067_200015260668 [0,1,0,0,0,0|2,0,0]=3 634 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [0,1,0,0,0,0|3,0,0]=4 635 B8R0.5 CC(O)CN(C)CC=O 2230a_100000227577_200015260668 [0,1,0,0,0,0|3,0,0]=4 636 B8R0.5 CC(O)CN(C)CC=O 269982a_100000227577_200015260668 [0,1,0,0,0,0|3,0,0]=4 637 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [0,1,0,0,0,0|2,0,1]=4 638 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,1,0,0,0,0|2,0,1]=4 640 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,1,0,0,0,0|1,0,1]=3 641 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,1,0,0,0,0|1,0,1]=3 642 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,1,0,0,0,0|1,0,1]=3 643 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,1,0,0,0,0|1,1,1]=4 644 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,1,0,0,0,0|1,1,1]=4 645 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [0,1,0,0,0,0|3,0,0]=4 646 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [0,1,0,0,0,0|3,0,0]=4 647 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [0,1,0,0,0,0|3,0,0]=4 648 B8R0.6 C/C=C/COC(C)CF 34a_100016041109_100102629194 [0,1,0,0,0,0|3,0,0]=4 649 B8R0.6 C/C=C/COC(C)CF 7a_100016041109_100102629194 [0,1,0,0,0,0|3,0,0]=4 650 B8R0.6 C/C=C/COC(C)CN 34a_100000210904_100102629194 [0,1,0,0,0,0|3,0,0]=4 651 B8R0.6 C/C=C/COC(C)CO 34a_100016270725_100012180447 [0,1,0,0,0,0|3,0,0]=4 652 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [0,1,0,0,0,0|3,0,0]=4 653 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [0,1,0,0,0,0|3,0,0]=4 654 B8R0.6 C/C=C/CSC(C)CO 62a_100012180447_100102629194 [0,1,0,0,0,0|3,0,0]=4 655 B8R0.6 C/C=C/CSC(C)OC 62a_100009879195_100102629194 [0,1,0,0,0,0|3,0,0]=4 656 B8R0.6 C/C=C/CSC(C)OC 62a_100102629194_100009879195 [0,1,0,0,0,0|3,0,0]=4 657 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100016084084_100102629194 [0,1,0,0,0,0|3,0,0]=4 658 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100102629194_100016084084 [0,1,0,0,0,0|3,0,0]=4 659 B8R0.6 C=CC(C)COCC=O 34a_100011215527_200009817547 [0,1,0,0,0,0|2,0,1]=4 660 B8R0.6 C=CC(C)COCC=O 7a_100011215527_200015260668 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [0,1,0,0,0,0|3,0,0]=4 662 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [0,1,0,0,0,0|3,0,0]=4 663 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [0,1,0,0,0,0|3,0,0]=4 664 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [0,1,0,0,0,0|3,0,0]=4 665 B8R0.6 C=CCCNC(C)CO 2230a_100015191253_100012180447 [0,1,0,0,0,0|3,0,0]=4 666 B8R0.6 C=CCCN[C@H](C)CO 2230a_100000737577_100000754431 [0,1,0,0,0,0|3,0,0]=4 667 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [0,1,0,0,0,0|3,0,0]=4 668 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [0,1,0,0,0,0|3,0,0]=4 669 B8R0.6 C=CCCOC(C)CF 34a_100016041109_100000754431 [0,1,0,0,0,0|3,0,0]=4 670 B8R0.6 C=CCCOC(C)CF 7a_100016041109_100000754431 [0,1,0,0,0,0|3,0,0]=4 671 B8R0.6 C=CCCOC(C)CN 34a_100000210904_100000754431 [0,1,0,0,0,0|3,0,0]=4 672 B8R0.6 C=CCCOC(C)CO 34a_100011205117_100012180447 [0,1,0,0,0,0|3,0,0]=4 673 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [0,1,0,0,0,0|3,0,0]=4 674 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [0,1,0,0,0,0|3,0,0]=4 675 B8R0.6 C=CCCSC(C)CO 62a_100012180447_100000754431 [0,1,0,0,0,0|3,0,0]=4 676 B8R0.6 C=CCCSC(C)OC 62a_100000754431_100009879195 [0,1,0,0,0,0|3,0,0]=4 677 B8R0.6 C=CCCSC(C)OC 62a_100009879195_100000754431 [0,1,0,0,0,0|3,0,0]=4 678 B8R0.6 C=CCCS[C@H](C)CO 62a_100000754431_100016084084 [0,1,0,0,0,0|3,0,0]=4 679 B8R0.6 C=CCCS[C@H](C)CO 62a_100016084084_100000754431 [0,1,0,0,0,0|3,0,0]=4 680 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [0,1,0,0,0,0|3,0,0]=4 681 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [0,1,0,0,0,0|3,0,0]=4 682 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [0,1,0,0,0,0|3,0,0]=4 683 B8R0.6 C=CCNCC(C)CO 34a_100000744482_100015514636 [0,1,0,0,0,0|3,0,0]=4 684 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [0,1,0,0,0,0|3,0,0]=4 685 B8R0.6 C=CCNC[C@@H](C)CO 2230a_100020586998_100000059175 [0,1,0,0,0,0|3,0,0]=4 686 B8R0.6 C=CCNC[C@@H](C)OC 2230a_100020591295_100000210623 [0,1,0,0,0,0|3,0,0]=4 687 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [0,1,0,0,0,0|3,0,0]=4 688 B8R0.6 C=CCOCC(C)CN 34a_100000744482_100015514636 [0,1,0,0,0,0|3,0,0]=4 689 B8R0.6 C=CCOCC(C)OC 34a_100000690652_100015514636 [0,1,0,0,0,0|3,0,0]=4 690 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [0,1,0,0,0,0|3,0,0]=4 691 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [0,1,0,0,0,0|3,0,0]=4 692 B8R0.6 C=CCOC[C@@H](C)CO 34a_200000210373_100000059175 [0,1,0,0,0,0|3,0,0]=4 693 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [0,1,0,0,0,0|3,0,0]=4 694 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [0,1,0,0,0,0|3,0,0]=4 695 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [0,1,0,0,0,0|3,0,0]=4 696 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [0,1,0,0,0,0|3,0,0]=4 697 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000059175_100000210623 [0,1,0,0,0,0|3,0,0]=4 698 B8R0.6 C=CCSC[C@@H](C)CO 62a_100000210623_100000059175 [0,1,0,0,0,0|3,0,0]=4 699 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,1,0,0,0,0|2,0,1]=4 700 B8R0.6 C=COCCC(=O)CO 1458a_100000210174_100000039644 [0,1,0,0,0,0|2,0,1]=4 701 B8R0.6 C=COCCN(C)CC 2230a_100000225621_100000039644 [0,1,0,0,0,0|2,0,0]=3 702 B8R0.6 C=COCCN(C)CC 269982a_100000225621_100000039644 [0,1,0,0,0,0|2,0,0]=3 703 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [0,1,0,0,0,0|2,0,0]=3 704 B8R0.6 CC(CO)CCNCF 34a_106354213184_100015361967 [0,1,0,0,0,0|2,0,1]=4 705 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,1,0,0,0,0|2,0,0]=3 706 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [0,1,0,0,0,0|3,0,0]=4 707 B8R0.6 CC=CCN[C@H](C)CO 2230a_100000737577_100000070051 [0,1,0,0,0,0|3,0,0]=4 708 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [0,1,0,0,0,0|3,0,0]=4 709 B8R0.6 CC=CCOC(C)CF 34a_100016041109_100000070051 [0,1,0,0,0,0|3,0,0]=4 710 B8R0.6 CC=CCOC(C)CF 7a_100016041109_100000070051 [0,1,0,0,0,0|3,0,0]=4 711 B8R0.6 CC=CCOC(C)CN 34a_100000210904_100000070051 [0,1,0,0,0,0|3,0,0]=4 712 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [0,1,0,0,0,0|3,0,0]=4 713 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [0,1,0,0,0,0|3,0,0]=4 714 B8R0.6 CC=CCSC(C)CO 62a_100012180447_100000070051 [0,1,0,0,0,0|3,0,0]=4 715 B8R0.6 CC=CCSC(C)OC 62a_100000070051_100009879195 [0,1,0,0,0,0|3,0,0]=4 716 B8R0.6 CC=CCSC(C)OC 62a_100009879195_100000070051 [0,1,0,0,0,0|3,0,0]=4 717 B8R0.6 CC=CCS[C@H](C)CO 62a_100000070051_100016084084 [0,1,0,0,0,0|3,0,0]=4 718 B8R0.6 CC=CCS[C@H](C)CO 62a_100016084084_100000070051 [0,1,0,0,0,0|3,0,0]=4 719 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,1,0,0,0,0|3,0,0]=4 720 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,1,0,0,0,0|3,0,0]=4 721 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [0,1,0,0,0,0|1,0,1]=3 722 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [0,1,0,0,0,0|2,0,0]=3 723 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,1,0,0,0,0|2,0,0]=3 724 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,1,0,0,0,0|2,0,0]=3 725 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,1,0,0,0,0|3,0,0]=4 726 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,1,0,0,0,0|3,0,0]=4 727 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,1,0,0,0,0|3,0,0]=4 728 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,1,0,0,0,0|2,0,1]=4 729 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,1,0,0,0,0|2,0,1]=4 730 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,1,0,0,0,0|2,0,1]=4 731 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,1,0,0,0,0|2,0,1]=4 732 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,1,0,0,0,0|2,0,1]=4 733 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,1,0,0,0,0|2,0,1]=4 734 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,1,0,0,0,0|2,0,1]=4 735 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,1,0,0,0,0|2,0,1]=4 736 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,1,0,0,0,0|2,0,1]=4 737 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,1,0,0,0,0|2,0,1]=4 738 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,1,0,0,0,0|2,0,1]=4 739 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,1,0,0,0,0|2,0,1]=4 740 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,1,0,0,0,0|2,0,1]=4 741 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,1,0,0,0,0|2,0,1]=4 742 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,1,0,0,0,0|2,0,1]=4 743 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [0,1,0,0,0,0|2,0,0]=3 744 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [0,1,0,0,0,0|2,0,0]=3 745 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,1,0,0,0,0|2,0,1]=4 746 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [0,1,0,0,0,0|2,0,1]=4 747 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [0,1,0,0,0,0|2,0,1]=4 748 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,1,0,0,0,0|1,0,1]=3 749 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [0,1,0,0,0,0|1,0,1]=3 750 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,1,0,0,0,0|1,0,1]=3 751 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [0,1,0,0,0,0|2,0,1]=4 752 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [0,1,0,0,0,0|2,0,1]=4 753 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [0,1,0,0,0,0|2,0,1]=4 754 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [0,1,0,0,0,0|2,0,1]=4 755 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [0,1,0,0,0,0|2,0,1]=4 756 B8R0.6 CCOCSC(C)OC 62a_100000739092_100009879195 [0,1,0,0,0,0|2,0,1]=4 757 B8R0.6 CCOCSC(C)OC 62a_100009879195_100000739092 [0,1,0,0,0,0|2,0,1]=4 758 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [0,1,0,0,0,0|2,0,1]=4 759 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [0,1,0,0,0,0|2,0,1]=4 760 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [0,1,0,0,0,0|2,0,0]=3 761 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,1,0,0,0,0|2,0,0]=3 762 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,1,0,0,0,0|2,0,0]=3 763 B8R0.6 CNC(C)CCCC#N 270004a_106832991635_200000032708 [0,1,0,0,0,0|2,0,1]=4 764 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,1,0,0,0,0|3,0,0]=4 765 B8R0.6 COC(C)CCOCF 7a_100000764861_100015361967 [0,1,0,0,0,0|1,0,1]=3 766 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [0,1,0,0,0,0|2,0,0]=3 767 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,1,0,0,0,0|3,0,0]=4 768 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,1,0,0,0,0|3,0,0]=4 769 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,1,0,0,0,0|3,0,0]=4 770 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,1,0,0,0,0|3,0,0]=4 771 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [0,1,0,0,0,0|3,0,0]=4 772 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [0,1,0,0,0,0|2,0,0]=3 773 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [0,1,0,0,0,0|3,0,0]=4 774 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,1,0,0,0,0|2,0,0]=3 775 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,1,0,0,0,0|2,0,0]=3 776 B8R0.6 NC[C@@H](F)COCC=O 34a_100015665980_200009817547 [0,1,0,0,0,0|3,0,0]=4 777 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [0,1,0,0,0,0|3,0,0]=4 778 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,1,0,0,0,0|3,0,0]=4 779 B8R0.6 O=CCOCC(Cl)CCl 34a_100000033668_200009817547 [0,1,0,0,0,0|3,0,0]=4 780 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,1,0,0,0,0|3,0,0]=4 781 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,1,0,0,0,0|3,0,0]=4 782 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [0,1,0,0,0,0|3,0,0]=4 783 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [0,1,0,0,0,0|3,0,0]=4 784 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,1,0,0,0,0|3,0,0]=4 785 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,1,0,0,0,0|3,0,0]=4 786 B8R0.7 C#CCCCNC(C)C 2230a_100138425928_100000731252 [0,1,0,0,0,0|2,0,1]=4 787 B8R0.7 C#CCCCNC(C)C 34a_100000718082_100000210206 [0,1,0,0,0,0|2,0,1]=4 788 B8R0.7 C#CCCCNC(C)C 34a_100138425928_100000695029 [0,1,0,0,0,0|2,0,1]=4 789 B8R0.7 C#CCCCOC(C)C 34a_100000212225_100000695029 [0,1,0,0,0,0|2,0,1]=4 790 B8R0.7 C#CCCCOC(C)C 34a_100000215630_100000210206 [0,1,0,0,0,0|2,0,1]=4 791 B8R0.7 C#CCCCOC(C)C 7a_100000215630_100000210206 [0,1,0,0,0,0|2,0,1]=4 792 B8R0.7 C#CCCCSC(C)C 62a_100000210206_100011215417 [0,1,0,0,0,0|2,0,1]=4 793 B8R0.7 C#CCCCSC(C)C 62a_100011215417_100000210206 [0,1,0,0,0,0|2,0,1]=4 794 B8R0.7 C#CCCNCC(C)C 2230a_100000210953_100000688953 [0,1,0,0,0,0|2,0,1]=4 795 B8R0.7 C#CCCNCC(C)C 34a_100000210953_100000688953 [0,1,0,0,0,0|2,0,1]=4 796 B8R0.7 C#CCCNCC(C)C 34a_100000755551_100000210624 [0,1,0,0,0,0|2,0,1]=4 797 B8R0.7 C#CCCOCC(C)C 34a_100000210257_100000688953 [0,1,0,0,0,0|2,0,1]=4 798 B8R0.7 C#CCCOCC(C)C 34a_100011215631_100000210624 [0,1,0,0,0,0|2,0,1]=4 799 B8R0.7 C#CCCSCC(C)C 62a_100000210624_100000688953 [0,1,0,0,0,0|2,0,1]=4 800 B8R0.7 C#CCCSCC(C)C 62a_100000688953_100000210760 [0,1,0,0,0,0|2,0,1]=4 801 B8R0.7 C#CCNCCC(C)C 34a_100000212058_100000210312 [0,1,0,0,0,0|2,0,1]=4 802 B8R0.7 C#CCOCCC(C)Br 34a_100009893172_100000184674 [0,1,0,0,0,0|2,0,1]=4 803 B8R0.7 C#CCOCCC(C)C 34a_100000210247_100000210312 [0,1,0,0,0,0|1,0,1]=3 804 B8R0.7 C#CCOCCC(C)C 34a_100000210254_100000184674 [0,1,0,0,0,0|1,0,1]=3 805 B8R0.7 C#CCOCCC(C)C 7a_100000210254_100000038162 [0,1,0,0,0,0|1,0,1]=3 806 B8R0.7 C#CCOCCC(C)O 34a_100000210247_100012276601 [0,1,0,0,0,0|2,0,1]=4 807 B8R0.7 C#CCOCCN(C)C 2230a_100102631434_100010402529 [0,1,0,0,0,0|2,0,1]=4 808 B8R0.7 C#CCOCC[C@@H](C)N 34a_100000706166_100000184674 [0,1,0,0,0,0|2,0,1]=4 809 B8R0.7 C#CCOCOC(C)C 34a_100000210247_100000709892 [0,1,0,0,0,0|2,0,1]=4 810 B8R0.7 C#CCSCCC(C)C 62a_100000038162_100000210312 [0,1,0,0,0,0|1,1,1]=4 811 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [0,1,0,0,0,0|2,0,0]=3 812 B8R0.7 C/C=C/CNCC(C)C 34a_100000210953_100102629194 [0,1,0,0,0,0|2,0,0]=3 813 B8R0.7 C/C=C/CNCC(C)O 34a_100000210904_100102629194 [0,1,0,0,0,0|3,0,0]=4 814 B8R0.7 C/C=C/COCC(C)Br 34a_100012180447_100102629194 [0,1,0,0,0,0|3,0,0]=4 815 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [0,1,0,0,0,0|2,0,0]=3 816 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [0,1,0,0,0,0|2,0,0]=3 817 B8R0.7 C/C=C/COCC(C)F 34a_100015925927_100102629194 [0,1,0,0,0,0|3,0,0]=4 818 B8R0.7 C/C=C/COCC(C)O 34a_100016270725_100011218427 [0,1,0,0,0,0|3,0,0]=4 819 B8R0.7 C/C=C/COC[C@@H](C)Cl 34a_100016084084_100102629194 [0,1,0,0,0,0|3,0,0]=4 820 B8R0.7 C/C=C/COC[C@@H](C)N 34a_100000737577_100102629194 [0,1,0,0,0,0|3,0,0]=4 821 B8R0.7 C/C=C/COC[C@@H](C)O 34a_100016270725_100009817552 [0,1,0,0,0,0|3,0,0]=4 822 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [0,1,0,0,0,0|2,0,0]=3 823 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [0,1,0,0,0,0|2,0,0]=3 824 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [0,1,0,0,0,0|3,0,0]=4 825 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [0,1,0,0,0,0|3,0,0]=4 826 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [0,1,0,0,0,0|3,0,0]=4 827 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [0,1,0,0,0,0|3,0,0]=4 828 B8R0.7 C=C(Br)CCOCC=O 34a_100009813270_200009817547 [0,1,0,0,0,0|1,0,2]=4 829 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [0,1,0,0,0,0|0,0,2]=3 830 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [0,1,0,0,0,0|0,1,2]=4 831 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [0,1,0,0,0,0|0,1,2]=4 832 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [0,1,0,0,0,0|3,0,0]=4 833 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [0,1,0,0,0,0|3,0,0]=4 834 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [0,1,0,0,0,0|3,0,0]=4 835 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [0,1,0,0,0,0|3,0,0]=4 836 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [0,1,0,0,0,0|3,0,0]=4 837 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [0,1,0,0,0,0|3,0,0]=4 838 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [0,1,0,0,0,0|2,0,0]=3 839 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [0,1,0,0,0,0|2,0,0]=3 840 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [0,1,0,0,0,0|2,0,0]=3 841 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [0,1,0,0,0,0|2,0,0]=3 842 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [0,1,0,0,0,0|2,0,0]=3 843 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [0,1,0,0,0,0|2,0,0]=3 844 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [0,1,0,0,0,0|2,0,0]=3 845 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [0,1,0,0,0,0|2,0,0]=3 846 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [0,1,0,0,0,0|2,0,0]=3 847 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [0,1,0,0,0,0|2,0,0]=3 848 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [0,1,0,0,0,0|2,0,0]=3 849 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [0,1,0,0,0,0|2,0,0]=3 850 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [0,1,0,0,0,0|2,0,0]=3 851 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [0,1,0,0,0,0|3,0,0]=4 852 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [0,1,0,0,0,0|3,0,0]=4 853 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [0,1,0,0,0,0|3,0,0]=4 854 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [0,1,0,0,0,0|3,0,0]=4 855 B8R0.7 C=CCCOCC(C)Br 34a_100012180447_100000754431 [0,1,0,0,0,0|3,0,0]=4 856 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [0,1,0,0,0,0|2,0,0]=3 857 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [0,1,0,0,0,0|2,0,0]=3 858 B8R0.7 C=CCCOCC(C)F 34a_100015925927_100000754431 [0,1,0,0,0,0|3,0,0]=4 859 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [0,1,0,0,0,0|3,0,0]=4 860 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [0,1,0,0,0,0|3,0,0]=4 861 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [0,1,0,0,0,0|3,0,0]=4 862 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [0,1,0,0,0,0|3,0,0]=4 863 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [0,1,0,0,0,0|2,0,0]=3 864 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [0,1,0,0,0,0|2,0,0]=3 865 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [0,1,0,0,0,0|3,0,0]=4 866 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [0,1,0,0,0,0|3,0,0]=4 867 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [0,1,0,0,0,0|3,0,0]=4 868 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [0,1,0,0,0,0|3,0,0]=4 869 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [0,1,0,0,0,0|2,0,0]=3 870 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [0,1,0,0,0,0|3,0,0]=4 871 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [0,1,0,0,0,0|3,0,0]=4 872 B8R0.7 C=CCNCOC(C)C 2230a_100020586998_100000709892 [0,1,0,0,0,0|3,0,0]=4 873 B8R0.7 C=CCOCC=C(C)C 34a_100000753907_100015514636 [0,1,0,0,0,0|1,0,2]=4 874 B8R0.7 C=CCOCC=C(C)C 34a_200000210373_100000761012 [0,1,0,0,0,0|1,0,2]=4 875 B8R0.7 C=CCOCCC(=C)C 34a_100000764851_100015514636 [0,1,0,0,0,0|1,0,2]=4 876 B8R0.7 C=CCOCCC(=C)C 34a_200000210373_100000730704 [0,1,0,0,0,0|1,0,2]=4 877 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,1,0,0,0,0|2,0,1]=4 878 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,1,0,0,0,0|2,0,1]=4 879 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,1,0,0,0,0|2,0,1]=4 880 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,1,0,0,0,0|2,0,1]=4 881 B8R0.7 C=CCOCCC(C)Br 34a_100009893172_100015514636 [0,1,0,0,0,0|2,0,0]=3 882 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [0,1,0,0,0,0|1,0,0]=2 883 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [0,1,0,0,0,0|1,0,0]=2 884 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [0,1,0,0,0,0|1,0,0]=2 885 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [0,1,0,0,0,0|2,0,0]=3 886 B8R0.7 C=CCOCCC(F)F 34a_100103093639_100015514636 [0,1,0,0,0,0|3,0,0]=4 887 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [0,1,0,0,0,0|2,0,0]=3 888 B8R0.7 C=CCOCOC(C)C 34a_200000210373_100000709892 [0,1,0,0,0,0|2,0,0]=3 889 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [0,1,0,0,0,0|1,1,0]=3 890 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [0,1,0,0,0,0|1,1,0]=3 891 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [0,1,0,0,0,0|2,1,0]=4 892 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [0,1,0,0,0,0|2,1,0]=4 893 B8R0.7 C=CCSCCN(C)C 62a_100000210623_100000755713 [0,1,0,0,0,0|2,1,0]=4 894 B8R0.7 C=CCSCOC(C)C 62a_100000210623_100000709892 [0,1,0,0,0,0|2,1,0]=4 895 B8R0.7 C=CCSCOC(C)C 62a_100000709892_100000210623 [0,1,0,0,0,0|2,1,0]=4 896 B8R0.7 C=COCCNC(C)C 2230a_100138425928_100000039644 [0,1,0,0,0,0|1,0,0]=2 897 B8R0.7 C=COCCNC(C)C 34a_100138425928_100000039644 [0,1,0,0,0,0|1,0,0]=2 898 B8R0.7 C=COCCOC(C)C 34a_100000033082_100000210206 [0,1,0,0,0,0|1,0,0]=2 899 B8R0.7 C=COCCOC(C)C 34a_100000212225_100000039644 [0,1,0,0,0,0|1,0,0]=2 900 B8R0.7 C=COCCSC(C)C 62a_100000039644_100000210206 [0,1,0,0,0,0|1,0,0]=2 901 B8R0.7 C=COCCSC(C)C 62a_100000210206_100000039644 [0,1,0,0,0,0|1,0,0]=2 902 B8R0.7 CC#CCCOC(C)C 34a_100000750427_100000210206 [0,1,0,0,0,0|2,0,1]=4 903 B8R0.7 CC#CCNCC(C)C 2230a_100000210953_100000748600 [0,1,0,0,0,0|2,0,1]=4 904 B8R0.7 CC#CCNCC(C)C 2230a_100000685387_100000210760 [0,1,0,0,0,0|2,0,1]=4 905 B8R0.7 CC#CCNCC(C)C 34a_100000210953_100000748600 [0,1,0,0,0,0|2,0,1]=4 906 B8R0.7 CC#CCNCC(C)C 34a_100000685387_100000210624 [0,1,0,0,0,0|2,0,1]=4 907 B8R0.7 CC#CCOCC(C)C 34a_100000210257_100000748600 [0,1,0,0,0,0|2,0,1]=4 908 B8R0.7 CC#CCOCC(C)C 34a_100000761923_100000210624 [0,1,0,0,0,0|2,0,1]=4 909 B8R0.7 CC#CCSCC(C)C 62a_100000210624_100000748600 [0,1,0,0,0,0|2,0,1]=4 910 B8R0.7 CC#CCSCC(C)C 62a_100000748600_100000210760 [0,1,0,0,0,0|2,0,1]=4 911 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [0,1,0,0,0,0|1,0,2]=4 912 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [0,1,0,0,0,0|0,0,2]=3 913 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [0,1,0,0,0,0|0,1,2]=4 914 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [0,1,0,0,0,0|0,1,2]=4 915 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,1,0,0,0,0|1,0,1]=3 916 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,1,0,0,0,0|1,0,1]=3 917 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,1,0,0,0,0|1,1,1]=4 918 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,1,0,0,0,0|1,1,1]=4 919 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [0,1,0,0,0,0|1,0,0]=2 920 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [0,1,0,0,0,0|2,0,1]=4 921 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [0,1,0,0,0,0|1,0,2]=4 922 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [0,1,0,0,0,0|1,0,2]=4 923 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [0,1,0,0,0,0|1,0,2]=4 924 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [0,1,0,0,0,0|1,1,1]=4 925 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [0,1,0,0,0,0|1,1,1]=4 926 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [0,1,0,0,0,0|2,0,1]=4 927 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [0,1,0,0,0,0|1,0,1]=3 928 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [0,1,0,0,0,0|1,0,1]=3 929 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [0,1,0,0,0,0|1,1,1]=4 930 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [0,1,0,0,0,0|1,1,1]=4 931 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [0,1,0,0,0,0|2,0,1]=4 932 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [0,1,0,0,0,0|2,0,1]=4 933 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [0,1,0,0,0,0|1,0,2]=4 934 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [0,1,0,0,0,0|1,0,2]=4 935 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [0,1,0,0,0,0|1,0,2]=4 936 B8R0.7 CC(C)CCOCC#N 7a_100000210254_100011215382 [0,1,0,0,0,0|1,0,1]=3 937 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [0,1,0,0,0,0|0,0,0]=1 938 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [0,1,0,0,0,0|0,0,0]=1 939 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [0,1,0,0,0,0|1,0,1]=3 940 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [0,1,0,0,0,0|1,0,1]=3 941 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [0,1,0,0,0,0|1,0,1]=3 942 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [0,1,0,0,0,0|1,0,1]=3 943 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [0,1,0,0,0,0|0,0,2]=3 944 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [0,1,0,0,0,0|0,0,2]=3 945 B8R0.7 CC(C)CCSCC#N 62a_100000210312_100011215382 [0,1,0,0,0,0|1,1,1]=4 946 B8R0.7 CC(C)CCSCC#N 62a_100011215382_100000210312 [0,1,0,0,0,0|1,1,1]=4 947 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [0,1,0,0,0,0|0,1,0]=2 948 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [0,1,0,0,0,0|0,1,0]=2 949 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [0,1,0,0,0,0|1,1,1]=4 950 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [0,1,0,0,0,0|1,1,1]=4 951 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [0,1,0,0,0,0|0,1,2]=4 952 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [0,1,0,0,0,0|0,1,2]=4 953 B8R0.7 CC(C)CNCCC#N 2230a_100000210953_100011215226 [0,1,0,0,0,0|2,0,1]=4 954 B8R0.7 CC(C)CNCCC#N 270004a_100000720768_100000210432 [0,1,0,0,0,0|2,0,1]=4 955 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [0,1,0,0,0,0|2,0,1]=4 956 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [0,1,0,0,0,0|2,0,1]=4 957 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [0,1,0,0,0,0|2,0,1]=4 958 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [0,1,0,0,0,0|2,0,1]=4 959 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [0,1,0,0,0,0|2,0,1]=4 960 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [0,1,0,0,0,0|1,0,2]=4 961 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [0,1,0,0,0,0|1,0,2]=4 962 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [0,1,0,0,0,0|1,0,2]=4 963 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [0,1,0,0,0,0|3,0,0]=4 964 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [0,1,0,0,0,0|2,0,1]=4 965 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [0,1,0,0,0,0|2,0,1]=4 966 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [0,1,0,0,0,0|2,0,1]=4 967 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [0,1,0,0,0,0|2,0,1]=4 968 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [0,1,0,0,0,0|2,0,1]=4 969 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [0,1,0,0,0,0|1,0,2]=4 970 B8R0.7 CC(C)COCCON 34a_100000700252_100000210624 [0,1,0,0,0,0|3,0,0]=4 971 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [0,1,0,0,0,0|3,0,0]=4 972 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [0,1,0,0,0,0|3,0,0]=4 973 B8R0.7 CC(C)CSCCC#N 62a_100000210624_100011215226 [0,1,0,0,0,0|2,0,1]=4 974 B8R0.7 CC(C)CSCCC#N 62a_100011215226_100000210760 [0,1,0,0,0,0|2,0,1]=4 975 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [0,1,0,0,0,0|2,0,1]=4 976 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [0,1,0,0,0,0|2,0,1]=4 977 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [0,1,0,0,0,0|1,0,2]=4 978 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [0,1,0,0,0,0|1,0,2]=4 979 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [0,1,0,0,0,0|3,0,0]=4 980 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [0,1,0,0,0,0|3,0,0]=4 981 B8R0.7 CC(C)CSCSC#N 62a_100000210624_100000211825 [0,1,0,0,0,0|1,1,1]=4 982 B8R0.7 CC(C)CSCSC#N 62a_100000211825_100000210760 [0,1,0,0,0,0|1,1,1]=4 983 B8R0.7 CC(C)NCCCC#N 2230a_100138425928_100000687738 [0,1,0,0,0,0|2,0,1]=4 984 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [0,1,0,0,0,0|1,0,0]=2 985 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [0,1,0,0,0,0|2,0,1]=4 986 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [0,1,0,0,0,0|2,0,1]=4 987 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [0,1,0,0,0,0|1,0,2]=4 988 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [0,1,0,0,0,0|1,0,2]=4 989 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [0,1,0,0,0,0|1,0,2]=4 990 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [0,1,0,0,0,0|1,0,2]=4 991 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [0,1,0,0,0,0|3,0,0]=4 992 B8R0.7 CC(C)NCCOCF 34a_100000224655_100015361967 [0,1,0,0,0,0|1,0,1]=3 993 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [0,1,0,0,0,0|2,0,1]=4 994 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [0,1,0,0,0,0|2,0,1]=4 995 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [0,1,0,0,0,0|2,0,1]=4 996 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [0,1,0,0,0,0|2,0,1]=4 997 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [0,1,0,0,0,0|2,0,1]=4 998 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [0,1,0,0,0,0|2,0,1]=4 999 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [0,1,0,0,0,0|2,0,1]=4 1000 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [0,1,0,0,0,0|2,0,1]=4 1001 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [0,1,0,0,0,0|1,0,2]=4 1002 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [0,1,0,0,0,0|3,0,0]=4 1003 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [0,1,0,0,0,0|3,0,0]=4 1004 B8R0.7 CC(C)OCCNCF 34a_100000701111_100015361967 [0,1,0,0,0,0|2,0,1]=4 1005 B8R0.7 CC(C)OCCOCF 34a_100000211219_100015361967 [0,1,0,0,0,0|1,0,1]=3 1006 B8R0.7 CC(C)OCCOCF 7a_100000211219_100015361967 [0,1,0,0,0,0|1,0,1]=3 1007 B8R0.7 CC(C)OCCSCF 62a_100000211751_100015361967 [0,1,0,0,0,0|1,1,1]=4 1008 B8R0.7 CC(C)OCCSCF 62a_100015361967_100000211751 [0,1,0,0,0,0|1,1,1]=4 1009 B8R0.7 CC(C)OCOCCBr 34a_100000211926_100000709892 [0,1,0,0,0,0|2,0,1]=4 1010 B8R0.7 CC(C)OCOCCN 34a_100000210304_100000709892 [0,1,0,0,0,0|2,0,1]=4 1011 B8R0.7 CC(C)OCSCC=O 62a_100000709892_200015260668 [0,1,0,0,0,0|1,1,0]=3 1012 B8R0.7 CC(C)OCSCC=O 62a_200015260668_100000709892 [0,1,0,0,0,0|1,1,0]=3 1013 B8R0.7 CC(C)SCCCC#N 62a_100000210206_100000687738 [0,1,0,0,0,0|2,0,1]=4 1014 B8R0.7 CC(C)SCCCC#N 62a_100000687738_100000210206 [0,1,0,0,0,0|2,0,1]=4 1015 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [0,1,0,0,0,0|1,0,0]=2 1016 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [0,1,0,0,0,0|1,0,0]=2 1017 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [0,1,0,0,0,0|2,0,1]=4 1018 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [0,1,0,0,0,0|2,0,1]=4 1019 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [0,1,0,0,0,0|1,0,2]=4 1020 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [0,1,0,0,0,0|1,0,2]=4 1021 B8R0.7 CC(C)SCCNCF 34a_100000731138_100015361967 [0,1,0,0,0,0|2,0,1]=4 1022 B8R0.7 CC(C)SCCOCF 34a_200011212901_100015361967 [0,1,0,0,0,0|1,0,1]=3 1023 B8R0.7 CC(C)SCCOCF 7a_200011212901_100015361967 [0,1,0,0,0,0|1,0,1]=3 1024 B8R0.7 CC(C)SCCSC#N 62a_100000034367_100000210206 [0,1,0,0,0,0|1,1,1]=4 1025 B8R0.7 CC(C)SCCSC#N 62a_100000210206_100000034367 [0,1,0,0,0,0|1,1,1]=4 1026 B8R0.7 CC(C)SCCSCF 62a_100000730970_100015361967 [0,1,0,0,0,0|1,1,1]=4 1027 B8R0.7 CC(C)SCCSCF 62a_100015361967_100000730970 [0,1,0,0,0,0|1,1,1]=4 1028 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [0,1,0,0,0,0|2,0,0]=3 1029 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [0,1,0,0,0,0|2,0,1]=4 1030 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [0,1,0,0,0,0|2,0,1]=4 1031 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [0,1,0,0,0,0|1,1,0]=3 1032 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [0,1,0,0,0,0|1,1,0]=3 1033 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [0,1,0,0,0,0|3,0,0]=4 1034 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [0,1,0,0,0,0|3,0,0]=4 1035 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [0,1,0,0,0,0|3,0,0]=4 1036 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [0,1,0,0,0,0|3,0,0]=4 1037 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [0,1,0,0,0,0|3,0,0]=4 1038 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [0,1,0,0,0,0|3,0,0]=4 1039 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [0,1,0,0,0,0|3,0,0]=4 1040 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [0,1,0,0,0,0|3,0,0]=4 1041 B8R0.7 CC=CCNCC(C)C 2230a_100000210953_100000070051 [0,1,0,0,0,0|2,0,0]=3 1042 B8R0.7 CC=CCNCC(C)C 34a_100000210953_100000070051 [0,1,0,0,0,0|2,0,0]=3 1043 B8R0.7 CC=CCNCC(C)O 2230a_100000210904_100000070051 [0,1,0,0,0,0|3,0,0]=4 1044 B8R0.7 CC=CCNCC(C)O 34a_100000210904_100000070051 [0,1,0,0,0,0|3,0,0]=4 1045 B8R0.7 CC=CCOCC(C)Br 34a_100012180447_100000070051 [0,1,0,0,0,0|3,0,0]=4 1046 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [0,1,0,0,0,0|2,0,0]=3 1047 B8R0.7 CC=CCOCC(C)F 34a_100015925927_100000070051 [0,1,0,0,0,0|3,0,0]=4 1048 B8R0.7 CC=CCOC[C@@H](C)Cl 34a_100016084084_100000070051 [0,1,0,0,0,0|3,0,0]=4 1049 B8R0.7 CC=CCOC[C@@H](C)N 34a_100000737577_100000070051 [0,1,0,0,0,0|3,0,0]=4 1050 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [0,1,0,0,0,0|2,0,0]=3 1051 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [0,1,0,0,0,0|2,0,0]=3 1052 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [0,1,0,0,0,0|3,0,0]=4 1053 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [0,1,0,0,0,0|3,0,0]=4 1054 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [0,1,0,0,0,0|3,0,0]=4 1055 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [0,1,0,0,0,0|3,0,0]=4 1056 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [0,1,0,0,0,0|2,0,1]=4 1057 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [0,1,0,0,0,0|2,0,1]=4 1058 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [0,1,0,0,0,0|2,0,1]=4 1059 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [0,1,0,0,0,0|2,0,1]=4 1060 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [0,1,0,0,0,0|2,0,1]=4 1061 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [0,1,0,0,0,0|2,0,1]=4 1062 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [0,1,0,0,0,0|2,0,1]=4 1063 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [0,1,0,0,0,0|2,0,1]=4 1064 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [0,1,0,0,0,0|2,0,1]=4 1065 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [0,1,0,0,0,0|2,0,1]=4 1066 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [0,1,0,0,0,0|2,0,1]=4 1067 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [0,1,0,0,0,0|2,0,1]=4 1068 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [0,1,0,0,0,0|2,0,1]=4 1069 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [0,1,0,0,0,0|2,0,1]=4 1070 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [0,1,0,0,0,0|2,0,1]=4 1071 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [0,1,0,0,0,0|2,0,1]=4 1072 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [0,1,0,0,0,0|2,0,1]=4 1073 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [0,1,0,0,0,0|2,0,1]=4 1074 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [0,1,0,0,0,0|2,0,1]=4 1075 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [0,1,0,0,0,0|2,0,1]=4 1076 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [0,1,0,0,0,0|1,0,1]=3 1077 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [0,1,0,0,0,0|1,0,1]=3 1078 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [0,1,0,0,0,0|1,0,1]=3 1079 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,1,0,0,0,0|2,0,1]=4 1080 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [0,1,0,0,0,0|2,0,1]=4 1081 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [0,1,0,0,0,0|2,0,1]=4 1082 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [0,1,0,0,0,0|2,0,1]=4 1083 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [0,1,0,0,0,0|2,0,1]=4 1084 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [0,1,0,0,0,0|1,1,1]=4 1085 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [0,1,0,0,0,0|1,1,1]=4 1086 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [0,1,0,0,0,0|2,0,1]=4 1087 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [0,1,0,0,0,0|2,0,1]=4 1088 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [0,1,0,0,0,0|2,0,1]=4 1089 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [0,1,0,0,0,0|2,0,1]=4 1090 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [0,1,0,0,0,0|2,0,1]=4 1091 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [0,1,0,0,0,0|2,0,1]=4 1092 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [0,1,0,0,0,0|2,0,1]=4 1093 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [0,1,0,0,0,0|2,0,1]=4 1094 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [0,1,0,0,0,0|2,0,1]=4 1095 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [0,1,0,0,0,0|1,0,2]=4 1096 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [0,1,0,0,0,0|1,0,1]=3 1097 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [0,1,0,0,0,0|1,0,1]=3 1098 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [0,1,0,0,0,0|1,0,1]=3 1099 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,1,0,0,0,0|2,0,1]=4 1100 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [0,1,0,0,0,0|2,0,1]=4 1101 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [0,1,0,0,0,0|2,0,1]=4 1102 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [0,1,0,0,0,0|1,0,1]=3 1103 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [0,1,0,0,0,0|1,0,1]=3 1104 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [0,1,0,0,0,0|1,0,1]=3 1105 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [0,1,0,0,0,0|1,0,1]=3 1106 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [0,1,0,0,0,0|1,0,1]=3 1107 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [0,1,0,0,0,0|1,0,1]=3 1108 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [0,1,0,0,0,0|1,0,1]=3 1109 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [0,1,0,0,0,0|1,0,1]=3 1110 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [0,1,0,0,0,0|1,0,1]=3 1111 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [0,1,0,0,0,0|1,0,1]=3 1112 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [0,1,0,0,0,0|1,0,1]=3 1113 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [0,1,0,0,0,0|1,0,1]=3 1114 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [0,1,0,0,0,0|1,0,1]=3 1115 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [0,1,0,0,0,0|1,0,1]=3 1116 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [0,1,0,0,0,0|1,0,1]=3 1117 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [0,1,0,0,0,0|1,0,1]=3 1118 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [0,1,0,0,0,0|1,0,1]=3 1119 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [0,1,0,0,0,0|1,0,1]=3 1120 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [0,1,0,0,0,0|2,0,1]=4 1121 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [0,1,0,0,0,0|2,0,1]=4 1122 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [0,1,0,0,0,0|2,0,1]=4 1123 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [0,1,0,0,0,0|2,0,1]=4 1124 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [0,1,0,0,0,0|1,1,1]=4 1125 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [0,1,0,0,0,0|1,1,1]=4 1126 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [0,1,0,0,0,0|1,1,1]=4 1127 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [0,1,0,0,0,0|1,1,1]=4 1128 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [0,1,0,0,0,0|1,1,1]=4 1129 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [0,1,0,0,0,0|1,1,1]=4 1130 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [0,1,0,0,0,0|1,1,1]=4 1131 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [0,1,0,0,0,0|1,1,1]=4 1132 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [0,1,0,0,0,0|1,1,1]=4 1133 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [0,1,0,0,0,0|1,1,1]=4 1134 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [0,1,0,0,0,0|1,1,1]=4 1135 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [0,1,0,0,0,0|1,1,1]=4 1136 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [0,1,0,0,0,0|1,1,1]=4 1137 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [0,1,0,0,0,0|1,1,1]=4 1138 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [0,1,0,0,0,0|2,0,0]=3 1139 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [0,1,0,0,0,0|2,0,0]=3 1140 B8R0.7 CN(C)CCOCC#N 2230a_100102631434_200000047693 [0,1,0,0,0,0|2,0,1]=4 1141 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [0,1,0,0,0,0|1,0,2]=4 1142 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [0,1,0,0,0,0|1,0,2]=4 1143 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [0,1,0,0,0,0|1,0,2]=4 1144 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [0,1,0,0,0,0|1,0,2]=4 1145 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [0,1,0,0,0,0|1,1,0]=3 1146 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [0,1,0,0,0,0|1,0,2]=4 1147 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [0,1,0,0,0,0|1,0,2]=4 1148 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [0,1,0,0,0,0|2,0,1]=4 1149 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [0,1,0,0,0,0|2,0,1]=4 1150 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [0,1,0,0,0,0|2,0,1]=4 1151 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [0,1,0,0,0,0|3,0,0]=4 1152 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [0,1,0,0,0,0|3,0,0]=4 1153 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [0,1,0,0,0,0|3,0,0]=4 1154 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [0,1,0,0,0,0|1,0,2]=4 1155 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [0,1,0,0,0,0|1,0,2]=4 1156 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [0,1,0,0,0,0|1,0,2]=4 1157 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [0,1,0,0,0,0|3,0,0]=4 1158 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [0,1,0,0,0,0|3,0,0]=4 1159 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [0,1,0,0,0,0|3,0,0]=4 1160 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [0,1,0,0,0,0|3,0,0]=4 1161 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [0,1,0,0,0,0|3,0,0]=4 1162 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [0,1,0,0,0,0|3,0,0]=4 1163 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [0,1,0,0,0,0|3,0,0]=4 1164 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [0,1,0,0,0,0|3,0,0]=4 1165 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [0,1,0,0,0,0|3,0,0]=4 1166 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [0,1,0,0,0,0|3,0,0]=4 1167 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [0,1,0,0,0,0|3,0,0]=4 1168 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [0,1,0,0,0,0|3,0,0]=4 1169 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [0,1,0,0,0,0|3,0,0]=4 1170 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [0,1,0,0,0,0|3,0,0]=4 1171 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [0,1,0,0,0,0|3,0,0]=4 1172 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [0,1,0,0,0,0|3,0,0]=4 1173 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [0,1,0,0,0,0|3,0,0]=4 1174 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [0,1,0,0,0,0|3,0,0]=4 1175 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [0,1,0,0,0,0|3,0,0]=4 1176 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [0,1,0,0,0,0|3,0,0]=4 1177 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [0,1,0,0,0,0|3,0,0]=4 1178 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [0,1,0,0,0,0|0,1,2]=4 1179 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [0,1,0,0,0,0|0,1,2]=4 1180 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [0,1,0,0,0,0|1,1,1]=4 1181 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [0,1,0,0,0,0|1,1,1]=4 1182 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [0,1,0,0,0,0|3,0,0]=4 1183 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [0,1,0,0,0,0|3,0,0]=4 1184 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [0,1,0,0,0,0|3,0,0]=4 1185 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [0,1,0,0,0,0|3,0,0]=4 1186 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [0,1,0,0,0,0|3,0,0]=4 1187 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [0,1,0,0,0,0|3,0,0]=4 1188 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [0,1,0,0,0,0|3,0,0]=4 1189 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [0,1,0,0,0,0|3,0,0]=4 1190 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [0,1,0,0,0,0|3,0,0]=4 1191 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [0,1,0,0,0,0|3,0,0]=4 1192 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [0,1,0,0,0,0|3,0,0]=4 1193 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [0,1,0,0,0,0|3,0,0]=4 1194 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [0,1,0,0,0,0|1,1,1]=4 1195 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [0,1,0,0,0,0|0,1,1]=3 1196 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [0,1,0,0,0,0|1,1,1]=4 1197 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [0,1,0,0,0,0|0,2,1]=4 1198 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [0,1,0,0,0,0|0,2,1]=4 1199 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [0,1,0,0,0,0|1,0,0]=2 1200 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [0,1,0,0,0,0|2,0,1]=4 1201 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [0,1,0,0,0,0|1,0,2]=4 1202 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [0,1,0,0,0,0|2,0,1]=4 1203 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [0,1,0,0,0,0|2,0,1]=4 1204 B8R0.7 O=CCOCCC(F)F 34a_100103093639_200009817547 [0,1,0,0,0,0|2,0,0]=3 1205 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,1,0,0,0,0|2,0,1]=4 1206 B8R0.8 C/C=C/CN(C)C(C)C 269982a_200000211004_100102629194 [0,1,0,0,0,0|3,0,0]=4 1207 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,1,0,0,0,0|2,0,1]=4 1208 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,1,0,0,0,0|2,0,1]=4 1209 B8R0.8 C=CCCC(C)N(C)C 270004a_100102631434_100000762624 [0,1,0,0,0,0|3,0,0]=4 1210 B8R0.8 C=CCCN(C)C(C)C 2230a_100020639649_100000210206 [0,1,0,0,0,0|3,0,0]=4 1211 B8R0.8 C=CCCN(C)C(C)C 269982a_100020639649_100000210206 [0,1,0,0,0,0|3,0,0]=4 1212 B8R0.8 C=CCCN(C)C(C)C 269982a_200000211004_100000754431 [0,1,0,0,0,0|3,0,0]=4 1213 B8R0.8 C=CCNC(C)C(C)C 2230a_100000211541_100000210623 [0,1,0,0,0,0|3,0,0]=4 1214 B8R0.8 C=CCOC(C)C(C)C 7a_100000748068_100015514636 [0,1,0,0,0,0|3,0,0]=4 1215 B8R0.8 CC(C)C(C)NCC=O 2230a_100000211541_200015260668 [0,1,0,0,0,0|2,0,0]=3 1216 B8R0.8 CC(C)C(C)OCC=O 7a_100000748068_200015260668 [0,1,0,0,0,0|2,0,0]=3 1217 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [0,1,0,0,0,0|3,0,0]=4 1218 B8R0.8 CC(C)C(O)CNCF 34a_100000759067_100015361967 [0,1,0,0,0,0|2,0,1]=4 1219 B8R0.8 CC(C)[C@@H](N)COCF 34a_100011830312_100015361967 [0,1,0,0,0,0|1,0,1]=3 1220 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,1,0,0,0,0|2,0,1]=4 1221 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,1,0,0,0,0|2,0,1]=4 1222 B8R0.8 CCNCC(O)C(C)C 2230a_100000759067_100000210202 [0,1,0,0,0,0|2,0,1]=4 1223 B8R0.8 CCNCC(O)C(C)C 34a_100000759067_100000210202 [0,1,0,0,0,0|2,0,1]=4 1224 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,1,0,0,0,0|1,0,2]=4 1225 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,1,0,0,0,0|1,0,2]=4 1226 B8R0.8 CCOCN(C)C(C)C 269982a_200000211004_100000739092 [0,1,0,0,0,0|2,0,1]=4 1227 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,1,0,0,0,0|1,0,1]=3 1228 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [0,1,0,0,0,0|3,0,0]=4 1229 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,1,0,0,0,0|2,0,1]=4 1230 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,1,0,0,0,0|2,0,0]=3 1231 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,1,0,0,0,0|3,0,0]=4 1232 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,1,0,0,0,0|3,0,0]=4 1233 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,1,0,0,0,0|3,0,0]=4 1234 B8R0.9 C=CC(C)COC(C)C 34a_100011215527_100000210206 [0,1,0,0,0,0|3,0,0]=4 1235 B8R0.9 C=CC(C)COC(C)C 7a_100011215527_100000210206 [0,1,0,0,0,0|3,0,0]=4 1236 B8R0.9 C=CC(C)OCC(C)C 34a_100000695699_100000210624 [0,1,0,0,0,0|3,0,0]=4 1237 B8R0.9 C=CC(C)SCC(C)C 62a_100011215867_100000210760 [0,1,0,0,0,0|3,0,0]=4 1238 B8R0.9 C=CC(O)CNC(C)C 2230a_100138425928_100000730141 [0,1,0,0,0,0|3,0,0]=4 1239 B8R0.9 C=CC(O)CNC(C)C 34a_100138425928_100000730141 [0,1,0,0,0,0|3,0,0]=4 1240 B8R0.9 C=CC(O)COC(C)C 34a_100000212225_100000730141 [0,1,0,0,0,0|3,0,0]=4 1241 B8R0.9 C=CC(O)CSC(C)C 62a_100000210206_100000730141 [0,1,0,0,0,0|3,0,0]=4 1242 B8R0.9 C=CC(O)CSC(C)C 62a_100000730141_100000210206 [0,1,0,0,0,0|3,0,0]=4 1243 B8R0.9 C=C[C@H](N)COC(C)C 34a_100016989147_100000210206 [0,1,0,0,0,0|3,0,0]=4 1244 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,0,0,0,0|2,0,1]=4 1245 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,0,0,0,0|1,0,2]=4 1246 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,1,0,0,0,0|3,0,0]=4 1247 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,1,0,0,0,0|3,0,0]=4 1248 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,1,0,0,0,0|3,0,0]=4 1249 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,1,0,0,0,0|3,0,0]=4 1250 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,1,0,0,0,0|3,0,0]=4 1251 B8R0.9 CC(C)CCN(C)CF 269982a_100000742789_100015361967 [0,1,0,0,0,0|2,0,1]=4 1252 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,0|2,0,1]=4 1253 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,0|2,0,1]=4 1254 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [0,1,0,0,0,0|2,0,1]=4 1255 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [0,1,0,0,0,0|2,0,1]=4 1256 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [0,1,0,0,0,0|2,0,1]=4 1257 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [0,1,0,0,0,0|2,0,1]=4 1258 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [0,1,0,0,0,0|2,0,1]=4 1259 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [0,1,0,0,0,0|2,0,1]=4 1260 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [0,1,0,0,0,0|2,0,1]=4 1261 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [0,1,0,0,0,0|2,0,1]=4 1262 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,0,0,0,0|3,0,0]=4 1263 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,0,0,0,0|3,0,0]=4 1264 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,0,0,0,0|3,0,0]=4 1265 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,0,0,0,0|3,0,0]=4 1266 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,1,0,0,0,0|3,0,0]=4 1267 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,1,0,0,0,0|3,0,0]=4 1268 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,1,0,0,0,0|3,0,0]=4 1269 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,1,0,0,0,0|3,0,0]=4 1270 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,1,0,0,0,0|3,0,0]=4 1271 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,1,0,0,0,0|3,0,0]=4 1272 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,1,0,0,0,0|3,0,0]=4 1273 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,1,0,0,0,0|3,0,0]=4 1274 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,1,0,0,0,0|3,0,0]=4 1275 B8R0.21 C/C=C/COC(C)(C)C 34a_100015890283_100102629194 [0,1,0,0,0,0|3,0,0]=4 1276 B8R0.21 C/C=C/COC(C)(C)C 34a_100016270725_100000210625 [0,1,0,0,0,0|3,0,0]=4 1277 B8R0.21 C/C=C/COC(C)(C)C 7a_100015890283_100102629194 [0,1,0,0,0,0|3,0,0]=4 1278 B8R0.21 C/C=C/CSC(C)(C)C 62a_100000211941_100102629194 [0,1,0,0,0,0|3,0,0]=4 1279 B8R0.21 C/C=C/CSC(C)(C)C 62a_100102629194_100000211941 [0,1,0,0,0,0|3,0,0]=4 1280 B8R0.21 C=CCCNC(C)(C)C 2230a_100000715429_100000754431 [0,1,0,0,0,0|3,0,0]=4 1281 B8R0.21 C=CCCOC(C)(C)C 34a_100011205117_100000210625 [0,1,0,0,0,0|3,0,0]=4 1282 B8R0.21 C=CCCOC(C)(C)C 34a_100015890283_100000754431 [0,1,0,0,0,0|3,0,0]=4 1283 B8R0.21 C=CCCOC(C)(C)C 7a_100015890283_100000754431 [0,1,0,0,0,0|3,0,0]=4 1284 B8R0.21 C=CCCSC(C)(C)C 62a_100000211941_100000754431 [0,1,0,0,0,0|3,0,0]=4 1285 B8R0.21 C=CCCSC(C)(C)C 62a_100000754431_100000211941 [0,1,0,0,0,0|3,0,0]=4 1286 B8R0.21 C=CCNCC(C)(C)C 2230a_100000743828_100000210623 [0,1,0,0,0,0|3,0,0]=4 1287 B8R0.21 C=CCNCC(C)(C)C 270004a_100020586998_100011204126 [0,1,0,0,0,0|3,0,0]=4 1288 B8R0.21 C=CCNCC(C)(C)F 2230a_100020643315_100000210623 [0,1,0,0,0,0|3,0,0]=4 1289 B8R0.21 C=CCNCC(C)(C)O 2230a_100000751335_100000210623 [0,1,0,0,0,0|3,0,0]=4 1290 B8R0.21 C=CCOCC(C)(C)C 34a_200000210373_100011219605 [0,1,0,0,0,0|3,0,0]=4 1291 B8R0.21 C=CCOCC(C)(C)F 34a_100000716592_100015514636 [0,1,0,0,0,0|3,0,0]=4 1292 B8R0.21 C=CCOCC(C)(C)F 34a_200000210373_100011997219 [0,1,0,0,0,0|3,0,0]=4 1293 B8R0.21 C=CCOCC(C)(C)O 34a_200000210373_100000764493 [0,1,0,0,0,0|3,0,0]=4 1294 B8R0.21 C=CCSCC(C)(C)C 62a_100000210623_100011219605 [0,1,0,0,0,0|3,0,0]=4 1295 B8R0.21 C=CCSCC(C)(C)C 62a_100011219605_100000210623 [0,1,0,0,0,0|3,0,0]=4 1296 B8R0.21 C=CCSCC(C)(C)F 62a_100000210623_100011997219 [0,1,0,0,0,0|3,0,0]=4 1297 B8R0.21 C=CCSCC(C)(C)F 62a_100011997219_100000210623 [0,1,0,0,0,0|3,0,0]=4 1298 B8R0.21 C=CCSCC(C)(C)O 62a_100000210623_100000764493 [0,1,0,0,0,0|3,0,0]=4 1299 B8R0.21 C=CCSCC(C)(C)O 62a_100000764493_100000210623 [0,1,0,0,0,0|3,0,0]=4 1300 B8R0.21 CC(C)(C)CCOCF 7a_100000765024_100015361967 [0,1,0,0,0,0|1,0,1]=3 1301 B8R0.21 CC(C)(C)CCSCF 62a_100000755188_100015361967 [0,1,0,0,0,0|1,1,1]=4 1302 B8R0.21 CC(C)(C)CCSCF 62a_100015361967_100000755188 [0,1,0,0,0,0|1,1,1]=4 1303 B8R0.21 CC(C)(C)CNCC=O 2230a_100000743828_200015260668 [0,1,0,0,0,0|2,0,0]=3 1304 B8R0.21 CC(C)(C)CSCC=O 62a_100011219605_200015260668 [0,1,0,0,0,0|2,0,0]=3 1305 B8R0.21 CC(C)(C)CSCC=O 62a_200015260668_100011219605 [0,1,0,0,0,0|2,0,0]=3 1306 B8R0.21 CC(C)(F)CNCC=O 2230a_100020643315_200015260668 [0,1,0,0,0,0|2,0,0]=3 1307 B8R0.21 CC(C)(F)COCC=O 34a_100000716592_200009817547 [0,1,0,0,0,0|2,0,0]=3 1308 B8R0.21 CC(C)(F)CSCC=O 62a_100011997219_200015260668 [0,1,0,0,0,0|2,0,0]=3 1309 B8R0.21 CC(C)(F)CSCC=O 62a_200015260668_100011997219 [0,1,0,0,0,0|2,0,0]=3 1310 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [0,1,0,0,0,0|3,0,0]=4 1311 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [0,1,0,0,0,0|3,0,0]=4 1312 B8R0.21 CC(C)(O)CCSCF 62a_100000702414_100015361967 [0,1,0,0,0,0|1,1,1]=4 1313 B8R0.21 CC(C)(O)CCSCF 62a_100015361967_100000702414 [0,1,0,0,0,0|1,1,1]=4 1314 B8R0.21 CC(C)(O)CNCC=O 2230a_100000751335_200015260668 [0,1,0,0,0,0|2,0,0]=3 1315 B8R0.21 CC(C)(O)CSCC=O 62a_100000764493_200015260668 [0,1,0,0,0,0|2,0,0]=3 1316 B8R0.21 CC(C)(O)CSCC=O 62a_200015260668_100000764493 [0,1,0,0,0,0|2,0,0]=3 1317 B8R0.21 CC(F)(F)COCC=O 34a_100000068830_200009817547 [0,1,0,0,0,0|3,0,0]=4 1318 B8R0.21 CC=CCNC(C)(C)C 2230a_100000715429_100000070051 [0,1,0,0,0,0|3,0,0]=4 1319 B8R0.21 CC=CCOC(C)(C)C 34a_100015890283_100000070051 [0,1,0,0,0,0|3,0,0]=4 1320 B8R0.21 CC=CCOC(C)(C)C 7a_100015890283_100000070051 [0,1,0,0,0,0|3,0,0]=4 1321 B8R0.21 CC=CCSC(C)(C)C 62a_100000070051_100000211941 [0,1,0,0,0,0|3,0,0]=4 1322 B8R0.21 CC=CCSC(C)(C)C 62a_100000211941_100000070051 [0,1,0,0,0,0|3,0,0]=4 1323 B8R0.21 CCNCCC(C)(C)C 2230a_100000738805_100000210202 [0,1,0,0,0,0|2,0,1]=4 1324 B8R0.21 CCNCCC(C)(C)C 2230a_100015525214_100000755188 [0,1,0,0,0,0|2,0,1]=4 1325 B8R0.21 CCNCCC(C)(C)F 2230a_100016253952_100000210202 [0,1,0,0,0,0|2,0,1]=4 1326 B8R0.21 CCNCCC(C)(C)O 2230a_100015525214_100000702414 [0,1,0,0,0,0|2,0,1]=4 1327 B8R0.21 CCOCCC(C)(C)C 34a_100121572206_100000755188 [0,1,0,0,0,0|1,0,1]=3 1328 B8R0.21 CCOCCC(C)(C)C 7a_100000765024_100000210202 [0,1,0,0,0,0|1,0,1]=3 1329 B8R0.21 CCOCCC(C)(C)O 34a_100121572206_100000702414 [0,1,0,0,0,0|1,0,1]=3 1330 B8R0.21 CCOCC[N+](C)(C)C 34a_100121572206_100000085578 [0,1,0,0,0,0|2,0,1]=4 1331 B8R0.21 CCOCC[N+](C)(C)C 7a_200020618287_100000210202 [0,1,0,0,0,0|2,0,1]=4 1332 B8R0.21 CCOCC[Si](C)(C)C 34a_100121572206_200000733723 [0,1,0,0,0,0|1,1,1]=4 1333 B8R0.21 CCOCC[Si](C)(C)C 7a_100000039746_100000210202 [0,1,0,0,0,0|1,1,1]=4 1334 B8R0.21 CCOCSC(C)(C)C 62a_100000211941_100000739092 [0,1,0,0,0,0|2,0,1]=4 1335 B8R0.21 CCOCSC(C)(C)C 62a_100000739092_100000211941 [0,1,0,0,0,0|2,0,1]=4 1336 B8R0.21 CCSCCC(C)(C)C 62a_100000210202_100000755188 [0,1,0,0,0,0|1,1,1]=4 1337 B8R0.21 CCSCCC(C)(C)C 62a_100000755188_100000210202 [0,1,0,0,0,0|1,1,1]=4 1338 B8R0.21 CCSCCC(C)(C)O 62a_100000210202_100000702414 [0,1,0,0,0,0|1,1,1]=4 1339 B8R0.21 CCSCCC(C)(C)O 62a_100000702414_100000210202 [0,1,0,0,0,0|1,1,1]=4 1340 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [0,1,0,0,0,0|3,0,0]=4 1341 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [0,1,0,0,0,0|3,0,0]=4 1342 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [0,1,0,0,0,0|3,0,0]=4 1343 B8R0.21 COCCCC(C)(C)O 34a_100138415774_100009888830 [0,1,0,0,0,0|3,0,0]=4 1344 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [0,1,0,0,0,0|3,0,0]=4 1345 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [0,1,0,0,0,0|3,0,0]=4 1346 B8R0.21 C[N+](C)(C)CCOCF 7a_200020618287_100015361967 [0,1,0,0,0,0|2,0,1]=4 1347 B8R0.21 C[N+](C)(C)CSCC=O 62a_200000036245_200015260668 [0,1,0,0,0,0|3,0,0]=4 1348 B8R0.21 C[N+](C)(C)CSCC=O 62a_200015260668_200000036245 [0,1,0,0,0,0|3,0,0]=4 1349 B8R0.21 C[Si](C)(C)CCOCF 7a_100000039746_100015361967 [0,1,0,0,0,0|1,1,1]=4 1350 B8R0.21 C[Si](C)(C)CSCC=O 62a_100000037933_200015260668 [0,1,0,0,0,0|2,1,0]=4 1351 B8R0.21 C[Si](C)(C)CSCC=O 62a_200015260668_100000037933 [0,1,0,0,0,0|2,1,0]=4 1352 B8R0.28 C=C(Br)CCOC(C)C 34a_100009813270_100000210206 [0,1,0,0,0,0|3,0,0]=4 1353 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [0,1,0,0,0,0|3,0,0]=4 1354 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [0,1,0,0,0,0|3,0,0]=4 1355 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [0,1,0,0,0,0|3,0,0]=4 1356 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [0,1,0,0,0,0|3,0,0]=4 1357 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [0,1,0,0,0,0|3,0,0]=4 1358 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [0,1,0,0,0,0|3,0,0]=4 1359 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [0,1,0,0,0,0|3,0,0]=4 1360 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [0,1,0,0,0,0|3,0,0]=4 1361 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [0,1,0,0,0,0|3,0,0]=4 1362 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [0,1,0,0,0,0|3,0,0]=4 1363 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [0,1,0,0,0,0|3,0,0]=4 1364 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [0,1,0,0,0,0|3,0,0]=4 1365 B8R0.28 C=C(F)CNCC(C)C 2230a_100000210953_100009893438 [0,1,0,0,0,0|3,0,0]=4 1366 B8R0.28 C=C(F)CNCC(C)C 34a_100000210953_100009893438 [0,1,0,0,0,0|3,0,0]=4 1367 B8R0.28 C=C(F)COCC(C)C 34a_100000210257_100009893438 [0,1,0,0,0,0|3,0,0]=4 1368 B8R0.28 C=C(F)COCC(C)C 34a_200010262243_100000210624 [0,1,0,0,0,0|3,0,0]=4 1369 B8R0.28 C=C(F)CSCC(C)C 62a_100000042424_100000210760 [0,1,0,0,0,0|3,0,0]=4 1370 B8R0.28 C=C(F)CSCC(C)C 62a_100000210624_100000042424 [0,1,0,0,0,0|3,0,0]=4 1371 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [0,1,0,0,0,0|3,0,0]=4 1372 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [0,1,0,0,0,0|3,0,0]=4 1373 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,1,0,0,0,0|3,0,0]=4 1374 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,1,0,0,0,0|3,0,0]=4 1375 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,1,0,0,0,0|3,0,0]=4 1376 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,1,0,0,0,0|3,0,0]=4 1377 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,1,0,0,0,0|3,0,0]=4 1378 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,1,0,0,0,0|3,0,0]=4 1379 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,1,0,0,0,0|3,0,0]=4 1380 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,1,0,0,0,0|1,0,2]=4 1381 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,1,0,0,0,0|2,0,1]=4 1382 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,1,0,0,0,0|1,0,2]=4 1383 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,1,0,0,0,0|2,0,1]=4 1384 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,1,0,0,0,0|2,0,1]=4 1385 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,1,0,0,0,0|1,0,0]=2 1386 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,1,0,0,0,0|1,0,0]=2 1387 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,1,0,0,0,0|2,0,0]=3 1388 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,1,0,0,0,0|2,0,0]=3 1389 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,1,0,0,0,0|2,0,0]=3 1390 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,1,0,0,0,0|2,0,1]=4 1391 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,1,0,0,0,0|2,0,1]=4 1392 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,1,0,0,0,0|2,0,1]=4 1393 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,1,0,0,0,0|2,0,1]=4 1394 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,1,0,0,0,0|1,0,1]=3 1395 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,1,0,0,0,0|1,0,1]=3 1396 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,1,0,0,0,0|2,0,0]=3 1397 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,1,0,0,0,0|2,0,0]=3 1398 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,1,0,0,0,0|2,0,0]=3 1399 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,1,0,0,0,0|1,1,1]=4 1400 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,1,0,0,0,0|2,0,0]=3 1401 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,1,0,0,0,0|2,0,0]=3 1402 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,1,0,0,0,0|2,0,0]=3 1403 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,1,0,0,0,0|2,0,0]=3 1404 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,1,0,0,0,0|2,0,0]=3 1405 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,1,0,0,0,0|3,0,0]=4 1406 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,1,0,0,0,0|3,0,0]=4 1407 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,1,0,0,0,0|1,0,2]=4 1408 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,1,0,0,0,0|1,0,2]=4 1409 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,1,0,0,0,0|1,0,2]=4 1410 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,1,0,0,0,0|2,0,1]=4 1411 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,1,0,0,0,0|1,0,0]=2 1412 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,1,0,0,0,0|1,0,0]=2 1413 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,1,0,0,0,0|1,0,0]=2 1414 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,1,0,0,0,0|1,0,0]=2 1415 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,1,0,0,0,0|2,0,0]=3 1416 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,1,0,0,0,0|2,0,0]=3 1417 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,1,0,0,0,0|2,0,0]=3 1418 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,1,0,0,0,0|2,0,0]=3 1419 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,1,0,0,0,0|2,0,0]=3 1420 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,1,0,0,0,0|2,0,0]=3 1421 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,1,0,0,0,0|2,0,1]=4 1422 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,1,0,0,0,0|2,0,0]=3 1423 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,1,0,0,0,0|3,0,0]=4 1424 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,1,0,0,0,0|1,0,0]=2 1425 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,1,0,0,0,0|1,0,0]=2 1426 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,1,0,0,0,0|1,0,0]=2 1427 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,1,0,0,0,0|1,0,0]=2 1428 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,1,0,0,0,0|1,0,0]=2 1429 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,1,0,0,0,0|1,1,1]=4 1430 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [0,1,0,0,0,0|2,0,1]=4 1431 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,1,0,0,0,0|3,0,0]=4 1432 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,1,0,0,0,0|3,0,0]=4 1433 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,1,0,0,0,0|1,0,2]=4 1434 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,1,0,0,0,0|1,0,0]=2 1435 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [0,1,0,0,0,0|3,0,0]=4 1436 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [0,1,0,0,0,0|3,0,0]=4 1437 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [0,1,0,0,0,0|2,0,1]=4 1438 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [0,1,0,0,0,0|2,0,1]=4 1439 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [0,1,0,0,0,0|1,0,1]=3 1440 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [0,1,0,0,0,0|1,0,1]=3 1441 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [0,1,0,0,0,0|1,0,1]=3 1442 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [0,1,0,0,0,0|1,1,1]=4 1443 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [0,1,0,0,0,0|1,1,1]=4 1444 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,1,0,0,0,0|2,0,0]=3 1445 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,1,0,0,0,0|2,0,0]=3 1446 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,1,0,0,0,0|2,0,0]=3 1447 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,1,0,0,0,0|2,0,0]=3 1448 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,1,0,0,0,0|2,0,0]=3 1449 B8R0.28 CC(C)CNC[N+](=O)[O-] 34a_100000210953_100000761209 [0,1,0,0,0,0|3,0,0]=4 1450 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,1,0,0,0,0|2,0,0]=3 1451 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,1,0,0,0,0|2,0,0]=3 1452 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,1,0,0,0,0|2,0,0]=3 1453 B8R0.28 CC(C)COC[N+](=O)[O-] 34a_100000210257_100000761209 [0,1,0,0,0,0|3,0,0]=4 1454 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,1,0,0,0,0|2,0,0]=3 1455 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,1,0,0,0,0|2,0,0]=3 1456 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,1,0,0,0,0|2,0,0]=3 1457 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,1,0,0,0,0|2,0,0]=3 1458 B8R0.28 CC(C)CSC[N+](=O)[O-] 62a_100000210624_100000761209 [0,1,0,0,0,0|3,0,0]=4 1459 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,1,0,0,0,0|2,0,0]=3 1460 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,1,0,0,0,0|2,0,0]=3 1461 B8R0.28 CC(C)NCOC(C)C 2230a_100138425928_100000709892 [0,1,0,0,0,0|2,0,1]=4 1462 B8R0.28 CC(C)NCOC(C)C 34a_100138425928_100000709892 [0,1,0,0,0,0|2,0,1]=4 1463 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,1,0,0,0,0|3,0,0]=4 1464 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,1,0,0,0,0|2,0,0]=3 1465 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,1,0,0,0,0|2,0,0]=3 1466 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,1,0,0,0,0|2,0,0]=3 1467 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [0,1,0,0,0,0|2,0,1]=4 1468 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [0,1,0,0,0,0|2,0,1]=4 1469 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [0,1,0,0,0,0|2,0,1]=4 1470 B8R0.28 CC(C)OCOC(C)C 34a_100000212225_100000709892 [0,1,0,0,0,0|2,0,1]=4 1471 B8R0.28 CC(C)OCSC(C)C 62a_100000210206_100000709892 [0,1,0,0,0,0|2,0,1]=4 1472 B8R0.28 CC(C)OCSC(C)C 62a_100000709892_100000210206 [0,1,0,0,0,0|2,0,1]=4 1473 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,1,0,0,0,0|2,0,0]=3 1474 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,1,0,0,0,0|2,0,0]=3 1475 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,1,0,0,0,0|3,0,0]=4 1476 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,1,0,0,0,0|3,0,0]=4 1477 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [0,1,0,0,0,0|2,0,1]=4 1478 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,1,0,0,0,0|3,0,0]=4 1479 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,1,0,0,0,0|3,0,0]=4 1480 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,1,0,0,0,0|3,0,0]=4 1481 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,1,0,0,0,0|3,0,0]=4 1482 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,1,0,0,0,0|3,0,0]=4 1483 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,1,0,0,0,0|3,0,0]=4 1484 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,1,0,0,0,0|3,0,0]=4 1485 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,1,0,0,0,0|3,0,0]=4 1486 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,1,0,0,0,0|3,0,0]=4 1487 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,1,0,0,0,0|2,0,1]=4 1488 B8R0.28 CN(C)CCC=C(F)F 2230a_100102631434_200009816681 [0,1,0,0,0,0|3,0,0]=4 1489 B8R0.28 CN(C)CCC=C(F)F 269982a_100102631434_200009816681 [0,1,0,0,0,0|3,0,0]=4 1490 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,1,0,0,0,0|2,0,0]=3 1491 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,1,0,0,0,0|2,0,0]=3 1492 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,1,0,0,0,0|2,0,0]=3 1493 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,1,0,0,0,0|2,0,0]=3 1494 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,1,0,0,0,0|1,0,0]=2 1495 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,1,0,0,0,0|2,0,0]=3 1496 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,1,0,0,0,0|3,0,0]=4 1497 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,1,0,0,0,0|3,0,0]=4 1498 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,1,0,0,0,0|3,0,0]=4 1499 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,1,0,0,0,0|3,0,0]=4 1500 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,1,0,0,0,0|3,0,0]=4 1501 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,1,0,0,0,0|3,0,0]=4 1502 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,1,0,0,0,0|3,0,0]=4 1503 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,1,0,0,0,0|3,0,0]=4 1504 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,1,0,0,0,0|3,0,0]=4 1505 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,1,0,0,0,0|3,0,0]=4 1506 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,1,0,0,0,0|2,0,1]=4 1507 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,0,0,1,0,0|3,0,0]=4 1508 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [0,0,0,1,0,0|2,0,1]=4 1509 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [0,0,0,1,0,0|2,0,1]=4 1510 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [0,0,0,1,0,0|2,0,1]=4 1511 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,0,0,1,0,0|3,0,0]=4 1512 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,0,0,1,0,0|3,0,0]=4 1513 B8R1.1 C[C@@H]1CCN(C1)CF 269982a_100016987628_100015361967 [0,0,0,1,0,0|2,0,1]=4 1514 B8R1.1 C[C@@H]1CCN(C1)CF 34a_100016987628_100015361967 [0,0,0,1,0,0|2,0,1]=4 1515 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [0,0,0,1,0,0|3,0,0]=4 1516 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [0,0,0,1,0,0|3,0,0]=4 1517 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [0,0,0,1,0,0|3,0,0]=4 1518 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [0,0,0,1,0,0|3,0,0]=4 1519 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [0,0,0,1,0,0|3,0,0]=4 1520 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [0,0,0,1,0,0|3,0,0]=4 1521 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,0,0,1,0,0|2,0,1]=4 1522 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,0,0,1,0,0|2,0,1]=4 1523 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,0,0,1,0,0|2,0,1]=4 1524 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,0,0,1,0,0|2,0,1]=4 1525 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,0,0,1,0,0|2,0,1]=4 1526 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,0,0,1,0,0|2,0,1]=4 1527 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,1,0,0|2,0,0]=3 1528 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,0|1,0,0]=2 1529 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,0,0,1,0,0|1,0,2]=4 1530 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,0,0,1,0,0|1,0,2]=4 1531 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,0,0,1,0,0|3,0,0]=4 1532 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,0,0,1,0,0|3,0,0]=4 1533 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,0,0,1,0,0|3,0,0]=4 1534 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,0,0,1,0,0|3,0,0]=4 1535 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,0,0,1,0,0|3,0,0]=4 1536 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,0,0,1,0,0|3,0,0]=4 1537 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,1,0,0|2,0,0]=3 1538 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,0|1,0,0]=2 1539 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,0,0,1,0,0|1,0,2]=4 1540 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,0,0,1,0,0|1,0,2]=4 1541 B8R1.6 C=CCN1CC(C1)C 2230a_100000702820_100000210623 [0,0,0,1,0,0|3,0,0]=4 1542 B8R1.6 C=CCN1CC(C1)C 269982a_100000702820_100000210623 [0,0,0,1,0,0|3,0,0]=4 1543 B8R1.6 C=CCN1CC(C1)C 34a_100000702820_100015514636 [0,0,0,1,0,0|3,0,0]=4 1544 B8R1.6 CC1CN(C1)CC=O 2230a_100000702820_200015260668 [0,0,0,1,0,0|2,0,0]=3 1545 B8R1.6 CC1CN(C1)CC=O 269982a_100000702820_200015260668 [0,0,0,1,0,0|2,0,0]=3 1546 B8R1.6 CC1CN(C1)CC=O 34a_100000702820_200009817547 [0,0,0,1,0,0|2,0,0]=3 1547 B8R1.6 CCOC1CN(C1)C 269982a_100000732654_200000210301 [0,0,0,1,0,0|2,0,1]=4 1548 B8R1.6 CCOC1CN(C1)C 34a_100000732654_200000210301 [0,0,0,1,0,0|2,0,1]=4 1549 B8R1.6 CCOC1CN(C1)[13CH3] 269982a_100000732654_200025704644 [0,0,0,1,0,0|2,0,1]=4 1550 B8R1.6 CCOC1CN(C1)[13CH3] 34a_100000732654_200025704644 [0,0,0,1,0,0|2,0,1]=4 1551 B8R1.6 O=CCN1CC(C1)F 2230a_100000690557_200015260668 [0,0,0,1,0,0|3,0,0]=4 1552 B8R1.6 O=CCN1CC(C1)F 269982a_100000690557_200015260668 [0,0,0,1,0,0|3,0,0]=4 1553 B8R1.6 O=CCN1CC(C1)F 34a_100000690557_200009817547 [0,0,0,1,0,0|3,0,0]=4 1554 B8R1.6 O=CCN1CC(C1)O 269982a_100000749847_200015260668 [0,0,0,1,0,0|3,0,0]=4 1555 B8R1.7 CC(C)N1CC=CC1 269982a_100015195280_100000210206 [0,0,0,1,0,0|3,0,0]=4 1556 B8R1.7 CN(C)C1CCOC1 2230a_100016988252_200000210301 [0,0,0,1,0,0|2,0,1]=4 1557 B8R1.7 CN(C)C1CCOC1 2230a_100102631434_100000731011 [0,0,0,1,0,0|2,0,1]=4 1558 B8R1.7 CN(C)C1CCOC1 269982a_100016988252_200000210301 [0,0,0,1,0,0|2,0,1]=4 1559 B8R1.7 CN(C)C1CCOC1 269982a_100102631434_100000731011 [0,0,0,1,0,0|2,0,1]=4 1560 B8R1.7 CN(C)C1CCOC1 270004a_100102631434_100000752484 [0,0,0,1,0,0|2,0,1]=4 1561 B8R1.7 CN(C)C1CCOC1 34a_100016988252_200000210301 [0,0,0,1,0,0|2,0,1]=4 1562 B8R1.7 CN([13CH3])C1CCOC1 2230a_100016988252_200025704644 [0,0,0,1,0,0|2,0,1]=4 1563 B8R1.7 CN([13CH3])C1CCOC1 269982a_100016988252_200025704644 [0,0,0,1,0,0|2,0,1]=4 1564 B8R1.7 CN([13CH3])C1CCOC1 34a_100016988252_200025704644 [0,0,0,1,0,0|2,0,1]=4 1565 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [0,0,0,1,0,0|1,0,1]=3 1566 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [0,0,0,1,0,0|1,0,1]=3 1567 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [0,0,0,1,0,0|1,0,1]=3 1568 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [0,0,0,1,0,0|1,0,1]=3 1569 B8R1.9 O=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_200015260668 [0,0,0,1,0,0|3,0,0]=4 1570 B8R1.9 O=CCN[C@@H]1C[C@H]1F 2230a_100025746932_200015260668 [0,0,0,1,0,0|3,0,0]=4 1571 B8R1.9 O=CCN[C@@H]1C[C@H]1F 34a_100025746932_200009817547 [0,0,0,1,0,0|3,0,0]=4 1572 B8R1.19 CC1(CCCN1[13CH3])C 2230a_100000761399_200025704644 [0,0,0,1,0,0|3,0,0]=4 1573 B8R1.19 CC1(CCCN1[13CH3])C 269982a_100000761399_200025704644 [0,0,0,1,0,0|3,0,0]=4 1574 B8R1.19 CC1(CCCN1[13CH3])C 34a_100000761399_200025704644 [0,0,0,1,0,0|3,0,0]=4 1575 B8R1.19 CN1CCCC1(C)C 2230a_100000761399_200000210301 [0,0,0,1,0,0|3,0,0]=4 1576 B8R1.19 CN1CCCC1(C)C 269982a_100000761399_200000210301 [0,0,0,1,0,0|3,0,0]=4 1577 B8R1.19 CN1CCCC1(C)C 34a_100000761399_200000210301 [0,0,0,1,0,0|3,0,0]=4 1578 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [0,0,0,1,0,0|2,0,1]=4 1579 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [0,0,0,1,0,0|2,0,1]=4 1580 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [0,0,0,1,0,0|2,0,1]=4 1581 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [0,0,0,1,0,0|2,0,1]=4 1582 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [0,0,0,1,0,0|2,0,1]=4 1583 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [0,0,0,1,0,0|2,0,1]=4 1584 B8R1.27 CC1(CC1CO[13CH3])C 34a_100000728257_200025704644 [0,0,0,1,0,0|3,0,0]=4 1585 B8R1.27 CC1(CC1CO[13CH3])C 7a_100000728257_200025704644 [0,0,0,1,0,0|3,0,0]=4 1586 B8R1.27 COCC1CC1(C)C 34a_100000728257_200000210301 [0,0,0,1,0,0|3,0,0]=4 1587 B8R1.27 COCC1CC1(C)C 7a_100000728257_200000210301 [0,0,0,1,0,0|3,0,0]=4 1588 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,0,0,1,0,0|2,0,1]=4 1589 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,0,0,1,0,0|2,0,0]=3 1590 B8R1.34 CN(C)CC1CCO1 2230a_100102631434_100000103362 [0,0,0,1,0,0|2,0,1]=4 1591 B8R1.34 CN(C)CC1CCO1 269982a_100102631434_100000103362 [0,0,0,1,0,0|2,0,1]=4 1592 B8R1.36 C/C=C/CNC1CC1 34a_100000212008_100102629194 [0,0,0,1,0,0|3,0,0]=4 1593 B8R1.36 C/C=C/COC1CC1 34a_100016270725_100000211595 [0,0,0,1,0,0|3,0,0]=4 1594 B8R1.36 C/C=C/CSC1CC1 62a_100102629194_100000211595 [0,0,0,1,0,0|3,0,0]=4 1595 B8R1.36 C=CCCNC1CC1 34a_100000212008_100000754431 [0,0,0,1,0,0|3,0,0]=4 1596 B8R1.36 C=CCCOC1CC1 34a_100011205117_100000211595 [0,0,0,1,0,0|3,0,0]=4 1597 B8R1.36 C=CCCSC1CC1 62a_100000754431_100000211595 [0,0,0,1,0,0|3,0,0]=4 1598 B8R1.36 C=CCNCC1CC1 2230a_100000735609_100000210623 [0,0,0,1,0,0|3,0,0]=4 1599 B8R1.36 C=CCNCC1CC1 2230a_100020586998_100000742324 [0,0,0,1,0,0|3,0,0]=4 1600 B8R1.36 C=CCNCC1CC1 34a_100000735609_100015514636 [0,0,0,1,0,0|3,0,0]=4 1601 B8R1.36 C=CCOCC1CC1 34a_100000211283_100015514636 [0,0,0,1,0,0|3,0,0]=4 1602 B8R1.36 C=CCOCC1CC1 34a_200000210373_100000742324 [0,0,0,1,0,0|3,0,0]=4 1603 B8R1.36 C=CCSCC1CC1 62a_100000210623_100000742324 [0,0,0,1,0,0|3,0,0]=4 1604 B8R1.36 C=CCSCC1CC1 62a_100000756562_100000210623 [0,0,0,1,0,0|3,0,0]=4 1605 B8R1.36 CC=CCNC1CC1 34a_100000212008_100000070051 [0,0,0,1,0,0|3,0,0]=4 1606 B8R1.36 CC=CCSC1CC1 62a_100000070051_100000211595 [0,0,0,1,0,0|3,0,0]=4 1607 B8R1.36 CC=NNCC1CC1 4a_100000736359_200000210099 [0,0,0,1,0,0|3,0,0]=4 1608 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [0,0,0,1,0,0|2,0,1]=4 1609 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [0,0,0,1,0,0|2,0,1]=4 1610 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [0,0,0,1,0,0|1,0,1]=3 1611 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [0,0,0,1,0,0|1,0,1]=3 1612 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [0,0,0,1,0,0|1,0,1]=3 1613 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [0,0,0,1,0,0|2,0,1]=4 1614 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [0,0,0,1,0,0|2,0,1]=4 1615 B8R1.36 CCOCSC1CC1 62a_100000739092_100000211595 [0,0,0,1,0,0|2,0,1]=4 1616 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [0,0,0,1,0,0|1,1,1]=4 1617 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [0,0,0,1,0,0|1,1,1]=4 1618 B8R1.36 FCNCCC1CC1 34a_100000764129_100015361967 [0,0,0,1,0,0|2,0,1]=4 1619 B8R1.36 FCOCCC1CC1 34a_100000754188_100015361967 [0,0,0,1,0,0|1,0,1]=3 1620 B8R1.36 FCOCCC1CC1 7a_100000754188_100015361967 [0,0,0,1,0,0|1,0,1]=3 1621 B8R1.36 FCOCC[C@@H]1CO1 34a_100009820653_100015361967 [0,0,0,1,0,0|2,0,1]=4 1622 B8R1.36 FCSCCC1CC1 62a_100000764125_100015361967 [0,0,0,1,0,0|1,1,1]=4 1623 B8R1.36 FCSCCC1CC1 62a_100015361967_100000764125 [0,0,0,1,0,0|1,1,1]=4 1624 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [0,0,0,1,0,0|2,0,0]=3 1625 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [0,0,0,1,0,0|2,0,0]=3 1626 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [0,0,0,1,0,0|2,0,0]=3 1627 B8R1.36 O=CCOC[C@@H]1CO1 34a_100000757423_200009817547 [0,0,0,1,0,0|3,0,0]=4 1628 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [0,0,0,1,0,0|2,0,0]=3 1629 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [0,0,0,1,0,0|2,0,0]=3 1630 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [0,0,0,1,0,0|3,0,0]=4 1631 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [0,0,0,1,0,0|3,0,0]=4 1632 B8R1.36 O=CCSCC1CS1 62a_100000031435_200015260668 [0,0,0,1,0,0|3,0,0]=4 1633 B8R1.36 O=CCSCC1CS1 62a_200015260668_100000031435 [0,0,0,1,0,0|3,0,0]=4 1634 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [0,0,0,1,0,0|3,0,0]=4 1635 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [0,0,0,1,0,0|3,0,0]=4 1636 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [2,0,0,0,0,0|1,0,1]=4 1637 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [2,0,0,0,0,0|1,0,1]=4 1638 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [2,0,0,0,0,0|1,0,1]=4 1639 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [2,0,0,0,0,0|1,0,1]=4 1640 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [2,0,0,0,0,0|1,0,1]=4 1641 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [2,0,0,0,0,0|1,0,1]=4 1642 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|1,0,1]=4 1643 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|1,0,1]=4 1644 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [2,0,0,0,0,0|1,0,1]=4 1645 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [2,0,0,0,0,0|1,0,1]=4 1646 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [2,0,0,0,0,0|1,0,1]=4 1647 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|0,0,1]=3 1648 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|0,1,1]=4 1649 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|0,1,1]=4 1650 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [2,0,0,0,0,0|2,0,0]=4 1651 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [2,0,0,0,0,0|1,0,1]=4 1652 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [2,0,0,0,0,0|2,0,0]=4 1653 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [2,0,0,0,0,0|2,0,0]=4 1654 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [2,0,0,0,0,0|1,0,1]=4 1655 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|1,0,1]=4 1656 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|1,0,1]=4 1657 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|1,0,1]=4 1658 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|1,0,1]=4 1659 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|1,0,1]=4 1660 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|1,0,1]=4 1661 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [2,0,0,0,0,0|1,0,1]=4 1662 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [2,0,0,0,0,0|1,0,1]=4 1663 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [2,0,0,0,0,0|1,0,1]=4 1664 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|1,0,1]=4 1665 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|1,0,1]=4 1666 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [2,0,0,0,0,0|1,0,1]=4 1667 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [2,0,0,0,0,0|1,0,1]=4 1668 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 1669 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|1,0,0]=3 1670 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [2,0,0,0,0,0|2,0,0]=4 1671 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [2,0,0,0,0,0|2,0,0]=4 1672 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [2,0,0,0,0,0|1,0,0]=3 1673 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [2,0,0,0,0,0|1,0,0]=3 1674 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [2,0,0,0,0,0|1,0,0]=3 1675 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [2,0,0,0,0,0|1,0,0]=3 1676 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [2,0,0,0,0,0|1,0,0]=3 1677 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [2,0,0,0,0,0|1,0,0]=3 1678 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [2,0,0,0,0,0|1,0,1]=4 1679 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [2,0,0,0,0,0|1,0,1]=4 1680 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [2,0,0,0,0,0|1,0,1]=4 1681 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [2,0,0,0,0,0|1,0,1]=4 1682 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [2,0,0,0,0,0|1,0,1]=4 1683 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [2,0,0,0,0,0|1,0,1]=4 1684 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [2,0,0,0,0,0|1,0,1]=4 1685 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|0,0,1]=3 1686 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|0,0,1]=3 1687 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [2,0,0,0,0,0|1,0,1]=4 1688 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [2,0,0,0,0,0|1,0,1]=4 1689 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [2,0,0,0,0,0|1,0,1]=4 1690 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [2,0,0,0,0,0|1,0,1]=4 1691 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [2,0,0,0,0,0|1,0,1]=4 1692 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [2,0,0,0,0,0|1,0,1]=4 1693 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [2,0,0,0,0,0|1,0,1]=4 1694 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|0,1,1]=4 1695 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|0,1,1]=4 1696 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [2,0,0,0,0,0|1,0,1]=4 1697 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [2,0,0,0,0,0|1,0,1]=4 1698 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|1,0,1]=4 1699 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|2,0,0]=4 1700 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|2,0,0]=4 1701 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|2,0,0]=4 1702 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|2,0,0]=4 1703 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|2,0,0]=4 1704 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|2,0,0]=4 1705 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|2,0,0]=4 1706 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|2,0,0]=4 1707 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|2,0,0]=4 1708 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|2,0,0]=4 1709 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|2,0,0]=4 1710 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|2,0,0]=4 1711 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|2,0,0]=4 1712 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|2,0,0]=4 1713 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [2,0,0,0,0,0|2,0,0]=4 1714 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [2,0,0,0,0,0|2,0,0]=4 1715 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [2,0,0,0,0,0|2,0,0]=4 1716 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [2,0,0,0,0,0|2,0,0]=4 1717 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|1,0,1]=4 1718 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|1,0,1]=4 1719 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|1,0,1]=4 1720 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|1,0,1]=4 1721 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|1,0,1]=4 1722 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|1,0,1]=4 1723 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|1,0,1]=4 1724 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|0,0,1]=3 1725 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|0,0,1]=3 1726 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|0,0,1]=3 1727 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|0,0,1]=3 1728 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|0,0,1]=3 1729 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|0,1,1]=4 1730 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|0,1,1]=4 1731 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|0,1,1]=4 1732 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|0,1,1]=4 1733 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|1,0,1]=4 1734 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|1,0,1]=4 1735 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|1,0,1]=4 1736 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,0]=3 1737 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [2,0,0,0,0,0|1,0,1]=4 1738 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,0]=3 1739 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,0]=3 1740 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,0]=3 1741 B5R0.2 CCSCOC 62a_100000210202_100000766300 [2,0,0,0,0,0|1,0,1]=4 1742 B5R0.2 CCSCOC 62a_100000766300_100000210202 [2,0,0,0,0,0|1,0,1]=4 1743 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [2,0,0,0,0,0|1,0,1]=4 1744 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [2,0,0,0,0,0|1,0,1]=4 1745 B5R0.2 CNCCOC 34a_100102657272_100011201679 [2,0,0,0,0,0|1,0,1]=4 1746 B5R0.2 CNCCOC 7a_106832991635_100000233755 [2,0,0,0,0,0|1,0,1]=4 1747 B5R0.2 COCCCBr 34a_100011217188_200000210301 [2,0,0,0,0,0|1,0,1]=4 1748 B5R0.2 COCCCCl 34a_100000230001_200000210301 [2,0,0,0,0,0|1,0,1]=4 1749 B5R0.2 COCCCF 34a_100000759539_200000210301 [2,0,0,0,0,0|1,0,1]=4 1750 B5R0.2 COCCCF 34a_100138415774_100011934791 [2,0,0,0,0,0|1,0,1]=4 1751 B5R0.2 COCCCN 34a_100000182051_200000210301 [2,0,0,0,0,0|1,0,1]=4 1752 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|1,0,1]=4 1753 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [2,0,0,0,0,0|1,0,1]=4 1754 B5R0.2 COCCOC 34a_100000210237_200000210301 [2,0,0,0,0,0|1,0,1]=4 1755 B5R0.2 COCCOC 34a_100138415774_100011201679 [2,0,0,0,0,0|1,0,1]=4 1756 B5R0.2 COCCON 34a_100000700252_200000210301 [2,0,0,0,0,0|2,0,0]=4 1757 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [2,0,0,0,0,0|1,0,1]=4 1758 B5R0.2 COCCSC 34a_100000230434_200000210301 [2,0,0,0,0,0|1,0,1]=4 1759 B5R0.2 COCCSC 34a_100138415774_100000212216 [2,0,0,0,0,0|1,0,1]=4 1760 B5R0.2 COCCSC 62a_100000233755_200000210301 [2,0,0,0,0,0|1,0,1]=4 1761 B5R0.2 COCCSC 62a_200000210301_100000233755 [2,0,0,0,0,0|1,0,1]=4 1762 B5R0.2 COCCSC 7a_100000230434_200000210301 [2,0,0,0,0,0|1,0,1]=4 1763 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [2,0,0,0,0,0|1,0,1]=4 1764 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [2,0,0,0,0,0|1,0,1]=4 1765 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [2,0,0,0,0,0|1,0,1]=4 1766 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [2,0,0,0,0,0|1,0,1]=4 1767 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [2,0,0,0,0,0|2,0,0]=4 1768 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [2,0,0,0,0,0|2,0,0]=4 1769 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [2,0,0,0,0,0|1,0,1]=4 1770 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [2,0,0,0,0,0|1,0,1]=4 1771 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [2,0,0,0,0,0|1,0,1]=4 1772 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [2,0,0,0,0,0|1,0,1]=4 1773 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [2,0,0,0,0,0|2,0,0]=4 1774 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,1,0,0,0,0|1,0,1]=4 1775 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [1,1,0,0,0,0|2,0,0]=4 1776 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [1,1,0,0,0,0|2,0,0]=4 1777 B7R0.2 C=CC(O)CN(C)C 2230a_100102631434_100000730141 [1,1,0,0,0,0|2,0,0]=4 1778 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [1,1,0,0,0,0|1,0,1]=4 1779 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,1,0,0,0,0|0,0,1]=3 1780 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,1,0,0,0,0|0,0,1]=3 1781 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [1,1,0,0,0,0|0,1,1]=4 1782 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [1,1,0,0,0,0|0,1,1]=4 1783 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [1,1,0,0,0,0|1,0,1]=4 1784 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [1,1,0,0,0,0|1,0,1]=4 1785 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [1,1,0,0,0,0|1,0,1]=4 1786 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [1,1,0,0,0,0|1,0,1]=4 1787 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,1,0,0,0,0|0,0,1]=3 1788 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,1,0,0,0,0|0,0,1]=3 1789 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,1,0,0,0,0|0,0,1]=3 1790 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [1,1,0,0,0,0|1,0,1]=4 1791 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [1,1,0,0,0,0|1,0,1]=4 1792 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [1,1,0,0,0,0|0,1,1]=4 1793 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [1,1,0,0,0,0|0,1,1]=4 1794 B7R0.3 C#CC(C)NCC=O 2230a_100000707721_200015260668 [1,1,0,0,0,0|1,0,1]=4 1795 B7R0.3 C#CC(C)NCC=O 34a_100000707721_200009817547 [1,1,0,0,0,0|1,0,1]=4 1796 B7R0.3 C#CC(C)SCC=O 62a_200000035995_200015260668 [1,1,0,0,0,0|1,0,1]=4 1797 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [1,1,0,0,0,0|1,0,1]=4 1798 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [1,1,0,0,0,0|1,0,1]=4 1799 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [1,1,0,0,0,0|1,0,1]=4 1800 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [1,1,0,0,0,0|1,0,1]=4 1801 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [1,1,0,0,0,0|1,0,0]=3 1802 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [1,1,0,0,0,0|1,0,0]=3 1803 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [1,1,0,0,0,0|1,0,0]=3 1804 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [1,1,0,0,0,0|1,0,0]=3 1805 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [1,1,0,0,0,0|1,0,0]=3 1806 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [1,1,0,0,0,0|2,0,0]=4 1807 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [1,1,0,0,0,0|2,0,0]=4 1808 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [1,1,0,0,0,0|2,0,0]=4 1809 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [1,1,0,0,0,0|2,0,0]=4 1810 B7R0.3 C=CCCN(C)CF 269982a_100020639649_100015361967 [1,1,0,0,0,0|2,0,0]=4 1811 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [1,1,0,0,0,0|2,0,0]=4 1812 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [1,1,0,0,0,0|2,0,0]=4 1813 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [1,1,0,0,0,0|2,0,0]=4 1814 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [1,1,0,0,0,0|2,0,0]=4 1815 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [1,1,0,0,0,0|2,0,0]=4 1816 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [1,1,0,0,0,0|2,0,0]=4 1817 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [1,1,0,0,0,0|2,0,0]=4 1818 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [1,1,0,0,0,0|2,0,0]=4 1819 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [1,1,0,0,0,0|2,0,0]=4 1820 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [1,1,0,0,0,0|2,0,0]=4 1821 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [1,1,0,0,0,0|2,0,0]=4 1822 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [1,1,0,0,0,0|2,0,0]=4 1823 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [1,1,0,0,0,0|2,0,0]=4 1824 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [1,1,0,0,0,0|2,0,0]=4 1825 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [1,1,0,0,0,0|2,0,0]=4 1826 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [1,1,0,0,0,0|2,0,0]=4 1827 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [1,1,0,0,0,0|2,0,0]=4 1828 B7R0.3 CC(C#N)NCC=O 2230a_100000737613_200015260668 [1,1,0,0,0,0|1,0,1]=4 1829 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [1,1,0,0,0,0|1,0,1]=4 1830 B7R0.3 CC(C#N)SCC=O 62a_100000703298_200015260668 [1,1,0,0,0,0|1,0,1]=4 1831 B7R0.3 CC(C#N)SCC=O 62a_200015260668_100000703298 [1,1,0,0,0,0|1,0,1]=4 1832 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [1,1,0,0,0,0|1,0,1]=4 1833 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [1,1,0,0,0,0|1,0,1]=4 1834 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [1,1,0,0,0,0|1,0,0]=3 1835 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [1,1,0,0,0,0|1,0,0]=3 1836 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [1,1,0,0,0,0|1,0,1]=4 1837 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [1,1,0,0,0,0|1,0,0]=3 1838 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [1,1,0,0,0,0|1,0,1]=4 1839 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|1,0,1]=4 1840 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [1,1,0,0,0,0|1,0,0]=3 1841 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,1,0,0,0,0|1,0,1]=4 1842 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,1,0,0,0,0|1,0,1]=4 1843 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,1,0,0,0,0|0,0,1]=3 1844 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,1,0,0,0,0|0,0,1]=3 1845 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [1,1,0,0,0,0|1,0,0]=3 1846 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [1,1,0,0,0,0|1,0,1]=4 1847 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [1,1,0,0,0,0|1,0,0]=3 1848 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [1,1,0,0,0,0|1,0,0]=3 1849 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [1,1,0,0,0,0|1,0,0]=3 1850 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [1,1,0,0,0,0|1,0,1]=4 1851 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [1,1,0,0,0,0|1,0,1]=4 1852 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,1,0,0,0,0|1,0,1]=4 1853 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,1,0,0,0,0|1,0,1]=4 1854 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,1,0,0,0,0|1,0,1]=4 1855 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,1,0,0,0,0|1,0,1]=4 1856 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,1,0,0,0,0|1,0,1]=4 1857 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,1,0,0,0,0|1,0,1]=4 1858 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,1,0,0,0,0|1,0,1]=4 1859 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,1,0,0,0,0|1,0,1]=4 1860 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,1,0,0,0,0|1,0,1]=4 1861 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,1,0,0,0,0|1,0,1]=4 1862 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,1,0,0,0,0|1,0,1]=4 1863 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,1,0,0,0,0|1,0,1]=4 1864 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,1,0,0,0,0|1,0,1]=4 1865 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,1,0,0,0,0|1,0,1]=4 1866 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,1,0,0,0,0|1,0,1]=4 1867 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [1,1,0,0,0,0|1,0,1]=4 1868 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [1,1,0,0,0,0|1,0,1]=4 1869 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [1,1,0,0,0,0|1,0,1]=4 1870 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [1,1,0,0,0,0|1,0,1]=4 1871 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [1,1,0,0,0,0|1,0,1]=4 1872 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [1,1,0,0,0,0|1,0,1]=4 1873 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [1,1,0,0,0,0|1,0,1]=4 1874 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [1,1,0,0,0,0|1,0,1]=4 1875 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,1,0,0,0,0|1,0,1]=4 1876 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [1,1,0,0,0,0|1,0,1]=4 1877 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [1,1,0,0,0,0|1,0,1]=4 1878 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [1,1,0,0,0,0|1,0,1]=4 1879 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [1,1,0,0,0,0|1,0,1]=4 1880 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [1,1,0,0,0,0|1,0,1]=4 1881 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [1,1,0,0,0,0|1,0,1]=4 1882 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,1,0,0,0,0|1,0,1]=4 1883 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,1,0,0,0,0|1,0,1]=4 1884 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,1,0,0,0,0|1,0,1]=4 1885 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [1,1,0,0,0,0|1,0,1]=4 1886 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [1,1,0,0,0,0|0,0,1]=3 1887 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [1,1,0,0,0,0|0,1,1]=4 1888 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [1,1,0,0,0,0|1,0,1]=4 1889 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [1,1,0,0,0,0|1,0,1]=4 1890 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [1,1,0,0,0,0|1,0,1]=4 1891 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [1,1,0,0,0,0|1,0,1]=4 1892 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,1,0,0,0,0|0,0,1]=3 1893 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [1,1,0,0,0,0|1,0,1]=4 1894 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [1,1,0,0,0,0|1,0,0]=3 1895 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [1,1,0,0,0,0|1,0,0]=3 1896 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,1,0,0,0,0|0,0,1]=3 1897 B7R0.3 COCCN(C)CF 269982a_100000743101_100015361967 [1,1,0,0,0,0|1,0,1]=4 1898 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [1,1,0,0,0,0|1,0,1]=4 1899 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [1,1,0,0,0,0|1,0,1]=4 1900 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [1,1,0,0,0,0|1,0,1]=4 1901 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [1,1,0,0,0,0|1,0,1]=4 1902 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [1,1,0,0,0,0|1,0,1]=4 1903 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [1,1,0,0,0,0|1,0,1]=4 1904 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [1,1,0,0,0,0|1,0,0]=3 1905 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [1,1,0,0,0,0|1,0,0]=3 1906 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [1,1,0,0,0,0|1,0,0]=3 1907 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,1,0,0,0,0|1,0,1]=4 1908 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,1,0,0,0,0|1,0,1]=4 1909 B7R0.5 C=CCN(C)C(C)C 2230a_100000225617_100000210206 [1,1,0,0,0,0|2,0,0]=4 1910 B7R0.5 C=CCN(C)C(C)C 2230a_100000742772_200000210301 [1,1,0,0,0,0|2,0,0]=4 1911 B7R0.5 C=CCN(C)C(C)C 269982a_100000225617_100000210206 [1,1,0,0,0,0|2,0,0]=4 1912 B7R0.5 C=CCN(C)C(C)C 269982a_100000742772_200000210301 [1,1,0,0,0,0|2,0,0]=4 1913 B7R0.5 C=CCN(C)C(C)C 269982a_200000211004_100000210623 [1,1,0,0,0,0|2,0,0]=4 1914 B7R0.5 C=CCN([13CH3])C(C)C 2230a_100000742772_200025704644 [1,1,0,0,0,0|2,0,0]=4 1915 B7R0.5 C=CCN([13CH3])C(C)C 269982a_100000742772_200025704644 [1,1,0,0,0,0|2,0,0]=4 1916 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [1,1,0,0,0,0|1,0,1]=4 1917 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [1,1,0,0,0,0|1,0,1]=4 1918 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [1,1,0,0,0,0|1,0,1]=4 1919 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [1,1,0,0,0,0|1,0,0]=3 1920 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [1,1,0,0,0,0|0,0,1]=3 1921 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [1,1,0,0,0,0|1,0,1]=4 1922 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [1,1,0,0,0,0|1,0,1]=4 1923 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [1,1,0,0,0,0|1,0,1]=4 1924 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,1,0,0,0,0|0,0,2]=4 1925 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,1,0,0,0,0|0,0,2]=4 1926 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [1,1,0,0,0,0|1,0,1]=4 1927 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [1,1,0,0,0,0|1,0,1]=4 1928 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [1,1,0,0,0,0|1,0,1]=4 1929 B7R0.5 COCN(C)C(C)C 269982a_200000211004_100000766300 [1,1,0,0,0,0|1,0,1]=4 1930 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [1,1,0,0,0,0|0,0,1]=3 1931 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,1,0,0,0,0|0,0,2]=4 1932 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,1,0,0,0,0|0,0,2]=4 1933 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,1,0,0,0,0|0,0,2]=4 1934 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [1,1,0,0,0,0|2,0,0]=4 1935 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [1,1,0,0,0,0|2,0,0]=4 1936 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [1,1,0,0,0,0|2,0,0]=4 1937 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [1,1,0,0,0,0|2,0,0]=4 1938 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [1,1,0,0,0,0|2,0,0]=4 1939 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [1,1,0,0,0,0|2,0,0]=4 1940 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [1,1,0,0,0,0|2,0,0]=4 1941 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [1,1,0,0,0,0|2,0,0]=4 1942 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [1,1,0,0,0,0|2,0,0]=4 1943 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [1,1,0,0,0,0|2,0,0]=4 1944 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [1,1,0,0,0,0|2,0,0]=4 1945 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [1,1,0,0,0,0|2,0,0]=4 1946 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [1,1,0,0,0,0|2,0,0]=4 1947 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [1,1,0,0,0,0|2,0,0]=4 1948 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,1,0,0,0,0|0,0,2]=4 1949 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,1,0,0,0,0|0,0,2]=4 1950 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,1,0,0,0,0|0,0,2]=4 1951 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,1,0,0,0,0|0,0,2]=4 1952 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,1,0,0,0,0|1,0,1]=4 1953 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|0,0,0]=2 1954 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|0,0,0]=2 1955 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,1,0,0,0,0|1,0,0]=3 1956 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [1,1,0,0,0,0|1,0,0]=3 1957 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [1,1,0,0,0,0|1,0,0]=3 1958 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,1,0,0,0,0|1,0,1]=4 1959 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,1,0,0,0,0|1,0,0]=3 1960 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,1,0,0,0,0|1,0,0]=3 1961 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,1,0,0,0,0|1,0,0]=3 1962 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,1,0,0,0,0|1,0,0]=3 1963 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,1,0,0,0,0|1,0,0]=3 1964 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,1,0,0,0,0|1,0,0]=3 1965 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,1,0,0,0,0|1,0,0]=3 1966 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 1967 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,1,0,0,0,0|2,0,0]=4 1968 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,1,0,0,0,0|2,0,0]=4 1969 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [1,1,0,0,0,0|2,0,0]=4 1970 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,1,0,0,0,0|1,0,1]=4 1971 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [1,1,0,0,0,0|1,0,0]=3 1972 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,1,0,0,0,0|0,0,2]=4 1973 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|0,0,0]=2 1974 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [1,1,0,0,0,0|1,0,1]=4 1975 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [1,1,0,0,0,0|1,0,1]=4 1976 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [1,1,0,0,0,0|1,0,1]=4 1977 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [1,1,0,0,0,0|1,0,1]=4 1978 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [1,1,0,0,0,0|1,0,1]=4 1979 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [1,1,0,0,0,0|1,0,1]=4 1980 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [1,1,0,0,0,0|1,0,1]=4 1981 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [1,1,0,0,0,0|1,0,1]=4 1982 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,1,0,0,0,0|1,0,0]=3 1983 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,1,0,0,0,0|1,0,0]=3 1984 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,1,0,0,0,0|1,0,0]=3 1985 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,1,0,0,0,0|1,0,0]=3 1986 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,1,0,0,0,0|1,0,0]=3 1987 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [1,1,0,0,0,0|2,0,0]=4 1988 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,1,0,0,0,0|1,0,0]=3 1989 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,1,0,0,0,0|1,0,0]=3 1990 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,1,0,0,0,0|1,0,0]=3 1991 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [1,1,0,0,0,0|2,0,0]=4 1992 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,1,0,0,0,0|1,0,0]=3 1993 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,1,0,0,0,0|1,0,0]=3 1994 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,1,0,0,0,0|1,0,0]=3 1995 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,1,0,0,0,0|1,0,0]=3 1996 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,1,0,0,0,0|1,0,0]=3 1997 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [1,1,0,0,0,0|2,0,0]=4 1998 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [1,1,0,0,0,0|1,0,0]=3 1999 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [1,1,0,0,0,0|1,0,0]=3 2000 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [1,1,0,0,0,0|1,0,0]=3 2001 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [1,1,0,0,0,0|1,0,0]=3 2002 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [1,1,0,0,0,0|1,0,0]=3 2003 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,1,0,0,0,0|1,0,1]=4 2004 B7R0.8 C=CCNC(C)(C)C 2230a_100000715429_100000210623 [1,1,0,0,0,0|2,0,0]=4 2005 B7R0.8 C=CCOC(C)(C)C 34a_100015890283_100015514636 [1,1,0,0,0,0|2,0,0]=4 2006 B7R0.8 C=CCOC(C)(C)C 34a_200000210373_100000210625 [1,1,0,0,0,0|2,0,0]=4 2007 B7R0.8 C=CCOC(C)(C)C 7a_100015890283_100015514636 [1,1,0,0,0,0|2,0,0]=4 2008 B7R0.8 C=CCSC(C)(C)C 62a_100000210623_100000211941 [1,1,0,0,0,0|2,0,0]=4 2009 B7R0.8 C=CCSC(C)(C)C 62a_100000211941_100000210623 [1,1,0,0,0,0|2,0,0]=4 2010 B7R0.8 CC(C)(C)CCN[13CH3] 2230a_100000738805_200025704644 [1,1,0,0,0,0|1,0,1]=4 2011 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [1,1,0,0,0,0|0,0,1]=3 2012 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [1,1,0,0,0,0|0,1,1]=4 2013 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [1,1,0,0,0,0|0,1,1]=4 2014 B7R0.8 CC(C)(C)NCC=O 2230a_100000715429_200015260668 [1,1,0,0,0,0|1,0,0]=3 2015 B7R0.8 CC(C)(C)OCC=O 34a_100015890283_200009817547 [1,1,0,0,0,0|1,0,0]=3 2016 B7R0.8 CC(C)(C)OCC=O 7a_100015890283_200015260668 [1,1,0,0,0,0|1,0,0]=3 2017 B7R0.8 CC(C)(C)SCC=O 62a_100000211941_200015260668 [1,1,0,0,0,0|1,0,0]=3 2018 B7R0.8 CC(C)(C)SCC=O 62a_200015260668_100000211941 [1,1,0,0,0,0|1,0,0]=3 2019 B7R0.8 CC(C)(F)CCN[13CH3] 2230a_100016253952_200025704644 [1,1,0,0,0,0|1,0,1]=4 2020 B7R0.8 CC(C)(F)COCF 34a_100000716592_100015361967 [1,1,0,0,0,0|1,0,1]=4 2021 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [1,1,0,0,0,0|0,1,1]=4 2022 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [1,1,0,0,0,0|0,1,1]=4 2023 B7R0.8 CCOCC(C)(C)C 34a_100121572206_100011219605 [1,1,0,0,0,0|1,0,1]=4 2024 B7R0.8 CCOCC(C)(C)F 34a_100000716592_100000210202 [1,1,0,0,0,0|1,0,1]=4 2025 B7R0.8 CCOCC(C)(C)F 34a_100121572206_100011997219 [1,1,0,0,0,0|1,0,1]=4 2026 B7R0.8 CCOCC(C)(C)O 34a_100121572206_100000764493 [1,1,0,0,0,0|1,0,1]=4 2027 B7R0.8 CNCCC(C)(C)C 2230a_100000738805_200000210301 [1,1,0,0,0,0|1,0,1]=4 2028 B7R0.8 CNCCC(C)(C)C 2230a_106832991635_100000755188 [1,1,0,0,0,0|1,0,1]=4 2029 B7R0.8 CNCCC(C)(C)C 34a_100102657272_100000755188 [1,1,0,0,0,0|1,0,1]=4 2030 B7R0.8 CNCCC(C)(C)C 7a_106832991635_100000755188 [1,1,0,0,0,0|1,0,1]=4 2031 B7R0.8 CNCCC(C)(C)F 2230a_100016253952_200000210301 [1,1,0,0,0,0|1,0,1]=4 2032 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [1,1,0,0,0,0|1,0,1]=4 2033 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [1,1,0,0,0,0|1,0,1]=4 2034 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [1,1,0,0,0,0|1,0,1]=4 2035 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [1,1,0,0,0,0|0,0,1]=3 2036 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [1,1,0,0,0,0|0,0,1]=3 2037 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [1,1,0,0,0,0|0,0,1]=3 2038 B7R0.8 COCC[N+](C)(C)C 34a_100138415774_100000085578 [1,1,0,0,0,0|1,0,1]=4 2039 B7R0.8 COCC[N+](C)(C)C 7a_200020618287_200000210301 [1,1,0,0,0,0|1,0,1]=4 2040 B7R0.8 COCC[Si](C)(C)C 34a_100138415774_200000733723 [1,1,0,0,0,0|0,1,1]=4 2041 B7R0.8 COCC[Si](C)(C)C 7a_100000039746_200000210301 [1,1,0,0,0,0|0,1,1]=4 2042 B7R0.8 COCNC(C)(C)C 2230a_100000715429_100000766300 [1,1,0,0,0,0|1,0,1]=4 2043 B7R0.8 COCSC(C)(C)C 62a_100000211941_100000766300 [1,1,0,0,0,0|1,0,1]=4 2044 B7R0.8 COCSC(C)(C)C 62a_100000766300_100000211941 [1,1,0,0,0,0|1,0,1]=4 2045 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [1,1,0,0,0,0|0,1,1]=4 2046 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [1,1,0,0,0,0|0,1,1]=4 2047 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [1,1,0,0,0,0|0,1,1]=4 2048 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [1,1,0,0,0,0|0,1,1]=4 2049 B7R0.8 C[N+](C)(C)CCO[13CH3] 7a_200020618287_200025704644 [1,1,0,0,0,0|1,0,1]=4 2050 B7R0.8 C[Si](C)(C)CCO[13CH3] 7a_100000039746_200025704644 [1,1,0,0,0,0|0,1,1]=4 2051 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [1,1,0,0,0,0|0,0,2]=4 2052 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,1,0,0,0,0|1,0,1]=4 2053 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,1,0,0,0,0|1,0,1]=4 2054 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,1,0,0,0,0|1,0,1]=4 2055 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,1,0,0,0,0|2,0,0]=4 2056 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [1,1,0,0,0,0|0,0,2]=4 2057 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,1,0,0,0,0|2,0,0]=4 2058 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,1,0,0,0,0|2,0,0]=4 2059 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,1,0,0,0,0|2,0,0]=4 2060 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,1,0,0,0,0|2,0,0]=4 2061 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,1,0,0,0,0|2,0,0]=4 2062 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,1,0,0,0,0|2,0,0]=4 2063 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,1,0,0,0,0|2,0,0]=4 2064 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,1,0,0,0,0|2,0,0]=4 2065 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,1,0,0,0,0|2,0,0]=4 2066 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,1,0,0,0,0|2,0,0]=4 2067 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,1,0,0,0,0|2,0,0]=4 2068 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,1,0,0,0,0|2,0,0]=4 2069 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,1,0,0,0,0|2,0,0]=4 2070 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,1,0,0,0,0|2,0,0]=4 2071 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,1,0,0,0,0|2,0,0]=4 2072 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,1,0,0,0,0|2,0,0]=4 2073 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,1,0,0,0,0|2,0,0]=4 2074 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,1,0,0,0,0|2,0,0]=4 2075 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,1,0,0,0,0|2,0,0]=4 2076 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,1,0,0,0,0|2,0,0]=4 2077 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,1,0,0,0,0|2,0,0]=4 2078 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,1,0,0,0,0|2,0,0]=4 2079 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,1,0,0,0,0|2,0,0]=4 2080 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,1,0,0,0,0|2,0,0]=4 2081 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,1,0,0,0,0|2,0,0]=4 2082 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,1,0,0,0,0|2,0,0]=4 2083 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,1,0,0,0,0|2,0,0]=4 2084 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,1,0,0,0,0|2,0,0]=4 2085 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,1,0,0,0,0|2,0,0]=4 2086 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [1,1,0,0,0,0|0,0,2]=4 2087 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,1,0,0,0,0|2,0,0]=4 2088 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,1,0,0,0,0|2,0,0]=4 2089 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,1,0,0,0,0|2,0,0]=4 2090 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,1,0,0,0,0|2,0,0]=4 2091 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,1,0,0,0,0|2,0,0]=4 2092 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,1,0,0,0,0|2,0,0]=4 2093 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,1,0,0,0,0|2,0,0]=4 2094 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [1,1,0,0,0,0|2,0,0]=4 2095 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,1,0,0,0,0|1,0,0]=3 2096 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,1,0,0,0,0|1,0,0]=3 2097 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,1,0,0,0,0|1,0,0]=3 2098 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [1,1,0,0,0,0|2,0,0]=4 2099 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [1,1,0,0,0,0|2,0,0]=4 2100 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [1,1,0,0,0,0|2,0,0]=4 2101 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [1,1,0,0,0,0|2,0,0]=4 2102 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [1,1,0,0,0,0|2,0,0]=4 2103 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [1,1,0,0,0,0|2,0,0]=4 2104 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [1,1,0,0,0,0|2,0,0]=4 2105 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [1,1,0,0,0,0|2,0,0]=4 2106 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [1,1,0,0,0,0|2,0,0]=4 2107 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [1,1,0,0,0,0|2,0,0]=4 2108 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [1,1,0,0,0,0|2,0,0]=4 2109 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [1,1,0,0,0,0|2,0,0]=4 2110 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [1,1,0,0,0,0|2,0,0]=4 2111 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [1,1,0,0,0,0|2,0,0]=4 2112 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,1,0,0,0,0|1,1,0]=4 2113 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,1,0,0,0,0|1,1,0]=4 2114 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [1,1,0,0,0,0|1,0,0]=3 2115 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [1,1,0,0,0,0|1,0,0]=3 2116 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [1,1,0,0,0,0|1,0,0]=3 2117 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [1,1,0,0,0,0|1,0,0]=3 2118 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,1,0,0,0,0|1,0,0]=3 2119 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,1,0,0,0,0|1,0,0]=3 2120 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,1,0,0,0,0|1,0,0]=3 2121 B7R0.1 C=COCCOCF 34a_100000033082_100015361967 [1,1,0,0,0,0|2,0,0]=4 2122 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,1,0,0,0,0|1,0,0]=3 2123 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,1,0,0,0,0|1,0,0]=3 2124 B7R0.1 C=COCCSCF 62a_100000039644_100015361967 [1,1,0,0,0,0|2,0,0]=4 2125 B7R0.1 C=COCCSCF 62a_100015361967_100000039644 [1,1,0,0,0,0|2,0,0]=4 2126 B7R0.1 CC#CCOCC=O 34a_100000761923_200009817547 [1,1,0,0,0,0|0,0,2]=4 2127 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,1,0,0,0,0|2,0,0]=4 2128 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,1,0,0,0,0|2,0,0]=4 2129 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,1,0,0,0,0|2,0,0]=4 2130 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,1,0,0,0,0|2,0,0]=4 2131 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,1,0,0,0,0|2,0,0]=4 2132 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,1,0,0,0,0|2,0,0]=4 2133 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,1,0,0,0,0|1,0,1]=4 2134 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,1,0,0,0,0|1,0,1]=4 2135 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,1,0,0,0,0|1,0,1]=4 2136 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,1,0,0,0,0|1,0,1]=4 2137 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,1,0,0,0,0|1,0,1]=4 2138 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,1,0,0,0,0|1,0,0]=3 2139 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,1,0,0,0,0|1,0,0]=3 2140 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,1,0,0,0,0|1,0,1]=4 2141 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,1,0,0,0,0|0,0,0]=2 2142 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,1,0,0,0,0|0,0,0]=2 2143 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,1,0,0,0,0|1,0,1]=4 2144 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,1,0,0,0,0|1,0,1]=4 2145 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,1,0,0,0,0|1,0,1]=4 2146 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,1,0,0,0,0|1,0,1]=4 2147 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,1,0,0,0,0|1,0,1]=4 2148 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,1,0,0,0,0|1,0,1]=4 2149 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,1,0,0,0,0|1,0,1]=4 2150 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,1,0,0,0,0|0,0,2]=4 2151 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,1,0,0,0,0|0,0,2]=4 2152 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,1,0,0,0,0|1,0,1]=4 2153 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,1,0,0,0,0|1,0,1]=4 2154 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,1,0,0,0,0|0,0,2]=4 2155 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,1,0,0,0,0|0,1,1]=4 2156 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,1,0,0,0,0|0,1,1]=4 2157 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,1,0,0,0,0|0,1,1]=4 2158 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,1,0,0,0,0|0,1,1]=4 2159 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,1,0,0,0,0|0,1,1]=4 2160 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,1,0,0,0,0|0,1,0]=3 2161 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,1,0,0,0,0|0,1,0]=3 2162 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [1,1,0,0,0,0|1,0,1]=4 2163 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [1,1,0,0,0,0|1,0,1]=4 2164 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,1,0,0,0,0|1,0,0]=3 2165 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [1,1,0,0,0,0|1,0,1]=4 2166 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [1,1,0,0,0,0|1,0,1]=4 2167 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [1,1,0,0,0,0|1,0,1]=4 2168 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,1,0,0,0,0|1,0,1]=4 2169 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,1,0,0,0,0|1,0,1]=4 2170 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,1,0,0,0,0|1,0,1]=4 2171 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,1,0,0,0,0|1,0,1]=4 2172 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,1,0,0,0,0|1,0,1]=4 2173 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,1,0,0,0,0|1,0,1]=4 2174 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,1,0,0,0,0|1,0,1]=4 2175 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,1,0,0,0,0|1,0,1]=4 2176 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,1,0,0,0,0|1,0,1]=4 2177 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,1,0,0,0,0|1,0,1]=4 2178 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,1,0,0,0,0|1,0,1]=4 2179 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,1,0,0,0,0|1,0,1]=4 2180 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,1,0,0,0,0|1,0,1]=4 2181 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,1,0,0,0,0|1,0,1]=4 2182 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,1,0,0,0,0|1,0,1]=4 2183 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,1,0,0,0,0|1,0,1]=4 2184 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,1,0,0,0,0|1,0,1]=4 2185 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,1,0,0,0,0|1,0,1]=4 2186 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,1,0,0,0,0|1,0,1]=4 2187 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,1,0,0,0,0|1,0,1]=4 2188 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,1,0,0,0,0|1,0,1]=4 2189 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,1,0,0,0,0|1,0,1]=4 2190 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,1,0,0,0,0|1,0,1]=4 2191 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,1,0,0,0,0|1,0,1]=4 2192 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,1,0,0,0,0|1,0,1]=4 2193 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,1,0,0,0,0|1,0,1]=4 2194 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,1,0,0,0,0|1,0,1]=4 2195 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,1,0,0,0,0|1,0,1]=4 2196 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,1,0,0,0,0|1,0,1]=4 2197 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,1,0,0,0,0|1,0,1]=4 2198 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [1,1,0,0,0,0|1,0,1]=4 2199 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [1,1,0,0,0,0|1,0,1]=4 2200 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [1,1,0,0,0,0|1,0,1]=4 2201 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [1,1,0,0,0,0|1,0,1]=4 2202 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [1,1,0,0,0,0|1,0,1]=4 2203 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [1,1,0,0,0,0|1,0,1]=4 2204 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [1,1,0,0,0,0|1,0,1]=4 2205 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [1,1,0,0,0,0|1,0,1]=4 2206 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [1,1,0,0,0,0|1,0,1]=4 2207 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [1,1,0,0,0,0|1,0,1]=4 2208 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,1,0,0,0,0|1,1,0]=4 2209 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,1,0,0,0,0|1,1,0]=4 2210 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,1,0,0,0,0|1,0,0]=3 2211 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,1,0,0,0,0|1,0,0]=3 2212 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [1,1,0,0,0,0|1,0,1]=4 2213 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [1,1,0,0,0,0|1,0,1]=4 2214 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,1,0,0,0,0|1,0,0]=3 2215 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,1,0,0,0,0|1,0,0]=3 2216 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [1,1,0,0,0,0|1,0,1]=4 2217 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [1,1,0,0,0,0|1,0,1]=4 2218 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,1,0,0,0,0|2,0,0]=4 2219 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,1,0,0,0,0|1,0,0]=3 2220 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,1,0,0,0,0|1,1,0]=4 2221 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,1,0,0,0,0|1,1,0]=4 2222 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,1,0,0,0,0|1,0,0]=3 2223 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,1,0,0,0,0|1,0,0]=3 2224 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [1,1,0,0,0,0|1,0,1]=4 2225 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [1,1,0,0,0,0|1,0,1]=4 2226 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,1,0,0,0,0|2,0,0]=4 2227 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,1,0,0,0,0|1,0,0]=3 2228 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,1,0,0,0,0|1,0,0]=3 2229 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,1,0,0,0,0|1,1,0]=4 2230 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,1,0,0,0,0|1,1,0]=4 2231 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [1,1,0,0,0,0|1,0,1]=4 2232 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [1,1,0,0,0,0|1,0,1]=4 2233 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [1,1,0,0,0,0|1,0,1]=4 2234 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [1,1,0,0,0,0|1,0,1]=4 2235 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [1,1,0,0,0,0|1,0,1]=4 2236 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [1,1,0,0,0,0|1,0,1]=4 2237 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [1,1,0,0,0,0|1,0,1]=4 2238 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [1,1,0,0,0,0|1,0,0]=3 2239 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [1,1,0,0,0,0|2,0,0]=4 2240 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [1,1,0,0,0,0|2,0,0]=4 2241 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [1,1,0,0,0,0|2,0,0]=4 2242 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [1,1,0,0,0,0|2,0,0]=4 2243 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [1,1,0,0,0,0|2,0,0]=4 2244 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [1,1,0,0,0,0|1,0,0]=3 2245 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [1,1,0,0,0,0|1,0,0]=3 2246 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [1,1,0,0,0,0|1,0,0]=3 2247 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [1,1,0,0,0,0|1,1,0]=4 2248 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [1,1,0,0,0,0|1,1,0]=4 2249 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,1,0,0,0,0|1,1,0]=4 2250 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,1,0,0,0,0|1,1,0]=4 2251 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,1,0,0,0,0|1,0,0]=3 2252 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,1,0,0,0,0|1,0,0]=3 2253 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 2254 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,1,0,0,0,0|1,0,1]=4 2255 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,1,0,0,0,0|1,0,1]=4 2256 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [1,1,0,0,0,0|1,0,1]=4 2257 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [1,1,0,0,0,0|1,0,1]=4 2258 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [1,1,0,0,0,0|2,0,0]=4 2259 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [1,1,0,0,0,0|2,0,0]=4 2260 B9R0.4 C#CCOC(C)CC(C)C 34a_100000210247_100000731052 [0,2,0,0,0,0|1,0,1]=4 2261 B9R0.4 C#CCOC(C)CC(C)C 34a_100000211805_100000184674 [0,2,0,0,0,0|1,0,1]=4 2262 B9R0.4 C#CCOC(C)CC(C)C 7a_100000211805_100000038162 [0,2,0,0,0,0|1,0,1]=4 2263 B9R0.4 C/C=C/CC(=O)CC(C)C 1458a_100000210554_100102629194 [0,2,0,0,0,0|2,0,0]=4 2264 B9R0.4 C/C=C/CN(C)CC(C)C 269982a_100000747067_100102629194 [0,2,0,0,0,0|2,0,0]=4 2265 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000210554_100000754431 [0,2,0,0,0,0|2,0,0]=4 2266 B9R0.4 C=CCCC(=O)CC(C)C 1458a_100000749702_100000210624 [0,2,0,0,0,0|2,0,0]=4 2267 B9R0.4 C=CCCC(C)OC(C)C 34a_100000765329_100000210206 [0,2,0,0,0,0|2,0,0]=4 2268 B9R0.4 C=CCCC(C)OC(C)C 7a_100000765329_100000210206 [0,2,0,0,0,0|2,0,0]=4 2269 B9R0.4 C=CCCN(C)CC(C)C 2230a_100000747067_100000754431 [0,2,0,0,0,0|2,0,0]=4 2270 B9R0.4 C=CCCN(C)CC(C)C 2230a_100020639649_100000210760 [0,2,0,0,0,0|2,0,0]=4 2271 B9R0.4 C=CCCN(C)CC(C)C 269982a_100000747067_100000754431 [0,2,0,0,0,0|2,0,0]=4 2272 B9R0.4 C=CCCN(C)CC(C)C 269982a_100020639649_100000210624 [0,2,0,0,0,0|2,0,0]=4 2273 B9R0.4 C=CCCN(C)CC(C)C 270004a_100020639649_100000210432 [0,2,0,0,0,0|2,0,0]=4 2274 B9R0.4 C=CCNC(C)CC(C)C 2230a_100000692259_100000210623 [0,2,0,0,0,0|2,0,0]=4 2275 B9R0.4 C=CCNC(C)CC(C)C 2230a_100020586998_100000731052 [0,2,0,0,0,0|2,0,0]=4 2276 B9R0.4 C=CCOC(C)CC(C)C 34a_100000211805_100015514636 [0,2,0,0,0,0|1,0,0]=3 2277 B9R0.4 C=CCOC(C)CC(C)C 34a_200000210373_100000731052 [0,2,0,0,0,0|1,0,0]=3 2278 B9R0.4 C=CCOC(C)CC(C)C 7a_100000211805_100015514636 [0,2,0,0,0,0|1,0,0]=3 2279 B9R0.4 C=CCSC(C)CC(C)C 62a_100000210623_100000731052 [0,2,0,0,0,0|1,1,0]=4 2280 B9R0.4 C=CCSC(C)CC(C)C 62a_100000731052_100000210623 [0,2,0,0,0,0|1,1,0]=4 2281 B9R0.4 CC(=CC(C)OCC=O)C 34a_100000717055_200009817547 [0,2,0,0,0,0|0,0,2]=4 2282 B9R0.4 CC(C)CC(C)NCC=O 2230a_100000692259_200015260668 [0,2,0,0,0,0|1,0,0]=3 2283 B9R0.4 CC(C)CC(C)OCC#N 7a_100000211805_100011215382 [0,2,0,0,0,0|1,0,1]=4 2284 B9R0.4 CC(C)CC(C)OCC=O 34a_100000211805_200009817547 [0,2,0,0,0,0|0,0,0]=2 2285 B9R0.4 CC(C)CC(C)OCC=O 7a_100000211805_200015260668 [0,2,0,0,0,0|0,0,0]=2 2286 B9R0.4 CC(C)CC(C)OCCBr 34a_100000211926_100000731052 [0,2,0,0,0,0|1,0,1]=4 2287 B9R0.4 CC(C)CC(C)OCCF 34a_100000211805_100011217306 [0,2,0,0,0,0|1,0,1]=4 2288 B9R0.4 CC(C)CC(C)OCCF 7a_100000211805_100011217306 [0,2,0,0,0,0|1,0,1]=4 2289 B9R0.4 CC(C)CC(C)OCCN 34a_100000210304_100000731052 [0,2,0,0,0,0|1,0,1]=4 2290 B9R0.4 CC(C)CC(C)OCCO 34a_100000211805_100000211926 [0,2,0,0,0,0|0,0,2]=4 2291 B9R0.4 CC(C)CC(C)OCCO 7a_100000211805_100000211926 [0,2,0,0,0,0|0,0,2]=4 2292 B9R0.4 CC(C)CC(C)SCC=O 62a_100000731052_200015260668 [0,2,0,0,0,0|0,1,0]=3 2293 B9R0.4 CC(C)CC(C)SCC=O 62a_200015260668_100000731052 [0,2,0,0,0,0|0,1,0]=3 2294 B9R0.4 CC(C)C[C@H](N)COCF 34a_100011830311_100015361967 [0,2,0,0,0,0|1,0,1]=4 2295 B9R0.4 CC(CN(C)C)SCC=O 62a_100020606517_200015260668 [0,2,0,0,0,0|1,1,0]=4 2296 B9R0.4 CC(CN(C)C)SCC=O 62a_200015260668_100020606517 [0,2,0,0,0,0|1,1,0]=4 2297 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100000210554_100000070051 [0,2,0,0,0,0|2,0,0]=4 2298 B9R0.4 CC=CCC(=O)CC(C)C 1458a_100121576822_100000210624 [0,2,0,0,0,0|2,0,0]=4 2299 B9R0.4 CC=CCN(C)CC(C)C 2230a_100000747067_100000070051 [0,2,0,0,0,0|2,0,0]=4 2300 B9R0.4 CCCOC(C)CC(C)C 34a_100000210258_100000731052 [0,2,0,0,0,0|1,0,1]=4 2301 B9R0.4 CCCOC(C)CC(C)C 34a_100000211805_100000210303 [0,2,0,0,0,0|1,0,1]=4 2302 B9R0.4 CCCOC(C)CC(C)C 7a_100000211805_100000210303 [0,2,0,0,0,0|1,0,1]=4 2303 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,2,0,0,0,0|1,0,1]=4 2304 B9R0.4 CCOCC(C)OC(C)C 34a_100000718985_100000210206 [0,2,0,0,0,0|1,0,1]=4 2305 B9R0.4 CCOCC(C)OC(C)C 7a_100000718985_100000210206 [0,2,0,0,0,0|1,0,1]=4 2306 B9R0.4 CCOCN(C)CC(C)C 269982a_100000747067_100000739092 [0,2,0,0,0,0|1,0,1]=4 2307 B9R0.4 CCOC[C@@H](N)CC(C)C 34a_100011830311_100000210202 [0,2,0,0,0,0|1,0,1]=4 2308 B9R0.4 CSCOC(C)CC(C)C 34a_100000211805_100011218213 [0,2,0,0,0,0|0,1,1]=4 2309 B9R0.6 CC(C)C(C)N(C)CC=O 2230a_100000228512_200015260668 [0,2,0,0,0,0|2,0,0]=4 2310 B9R0.6 CC(C)C(C)N(C)CC=O 269982a_100000228512_200015260668 [0,2,0,0,0,0|2,0,0]=4 2311 B9R0.14 C#CC(CC(C)C)OCC 34a_100011215986_100000210202 [0,2,0,0,0,0|1,0,1]=4 2312 B9R0.14 C#CC(CC(C)C)OCC 7a_100011215986_100000210202 [0,2,0,0,0,0|1,0,1]=4 2313 B9R0.14 C#CC(CC(C)C)OCF 34a_100011215986_100015361967 [0,2,0,0,0,0|1,0,1]=4 2314 B9R0.14 C#CC(CC(C)C)OCF 7a_100011215986_100015361967 [0,2,0,0,0,0|1,0,1]=4 2315 B9R0.14 C=CC(CC(C)C)OCC 34a_100012186643_100000210202 [0,2,0,0,0,0|1,0,1]=4 2316 B9R0.14 C=CC(CC(C)C)OCC 7a_100012186643_100000210202 [0,2,0,0,0,0|1,0,1]=4 2317 B9R0.14 C=CC(CC(C)C)OCF 34a_100012186643_100015361967 [0,2,0,0,0,0|1,0,1]=4 2318 B9R0.14 C=CC(CC(C)C)OCF 7a_100012186643_100015361967 [0,2,0,0,0,0|1,0,1]=4 2319 B9R0.14 CC(C)CC(C#N)OCF 34a_200011294978_100015361967 [0,2,0,0,0,0|1,0,1]=4 2320 B9R0.14 CC(C)CC(C#N)OCF 7a_200011294978_100015361967 [0,2,0,0,0,0|1,0,1]=4 2321 B9R0.14 CC=CC(CC(C)C)OC 34a_100020643927_200000210301 [0,2,0,0,0,0|2,0,0]=4 2322 B9R0.14 CC=CC(CC(C)C)OC 7a_100020643927_200000210301 [0,2,0,0,0,0|2,0,0]=4 2323 B9R0.14 CC=CC(CC(C)C)O[13CH3] 34a_100020643927_200025704644 [0,2,0,0,0,0|2,0,0]=4 2324 B9R0.14 CC=CC(CC(C)C)O[13CH3] 7a_100020643927_200025704644 [0,2,0,0,0,0|2,0,0]=4 2325 B9R0.14 CCN(CC=O)CC(C)C 2230a_100000738554_200015260668 [0,2,0,0,0,0|2,0,0]=4 2326 B9R0.14 CCN(CC=O)CC(C)C 269982a_100000738554_200015260668 [0,2,0,0,0,0|2,0,0]=4 2327 B9R0.14 CCOC(C#N)CC(C)C 34a_200011294978_100000210202 [0,2,0,0,0,0|1,0,1]=4 2328 B9R0.14 CCOC(C#N)CC(C)C 7a_200011294978_100000210202 [0,2,0,0,0,0|1,0,1]=4 2329 B9R0.23 C=CC(=O)C(C)CC(C)C 1458a_100000185746_100000731052 [0,2,0,0,0,0|2,0,0]=4 2330 B9R0.34 CCC(C)CN(C)CC=O 2230a_100000753921_200015260668 [0,2,0,0,0,0|2,0,0]=4 2331 B9R0.34 CCC(C)CN(C)CC=O 269982a_100000753921_200015260668 [0,2,0,0,0,0|2,0,0]=4 2332 B9R0.44 CC(CC(C)(C)C)OCF 7a_200011218616_100015361967 [0,2,0,0,0,0|1,0,1]=4 2333 B9R0.44 CCOC(C)CC(C)(C)C 7a_200011218616_100000210202 [0,2,0,0,0,0|1,0,1]=4 2334 B9R0.44 CN(CC=O)CC(C)(C)C 2230a_100000742839_200015260668 [0,2,0,0,0,0|2,0,0]=4 2335 B9R0.44 CN(CC=O)CC(C)(C)C 269982a_100000742839_200015260668 [0,2,0,0,0,0|2,0,0]=4 2336 B9R0.44 CN(CC=O)CC(C)(C)O 2230a_100000755907_200015260668 [0,2,0,0,0,0|2,0,0]=4 2337 B9R0.44 CN(CC=O)CC(C)(C)O 269982a_100000755907_200015260668 [0,2,0,0,0,0|2,0,0]=4 2338 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,2,0,0,0,0|1,0,0]=3 2339 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,2,0,0,0,0|1,0,0]=3 2340 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,2,0,0,0,0|1,0,0]=3 2341 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,2,0,0,0,0|1,0,0]=3 2342 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [0,2,0,0,0,0|2,0,0]=4 2343 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [0,2,0,0,0,0|2,0,0]=4 2344 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [0,2,0,0,0,0|2,0,0]=4 2345 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,2,0,0,0,0|1,0,0]=3 2346 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,2,0,0,0,0|1,0,0]=3 2347 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,2,0,0,0,0|1,0,1]=4 2348 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,2,0,0,0,0|1,0,1]=4 2349 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,2,0,0,0,0|1,0,1]=4 2350 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [0,2,0,0,0,0|1,0,1]=4 2351 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [0,2,0,0,0,0|1,0,1]=4 2352 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [0,2,0,0,0,0|1,0,1]=4 2353 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000739694_100000210760 [0,2,0,0,0,0|2,0,0]=4 2354 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000747067_100000747473 [0,2,0,0,0,0|2,0,0]=4 2355 B9R0.53 CC(C)CN(C)CC(=O)N 269982a_100000747067_100000187820 [0,2,0,0,0,0|2,0,0]=4 2356 B9R0.53 CC(C)CN(C)CC(=O)N 270004a_100000739694_100000210432 [0,2,0,0,0,0|2,0,0]=4 2357 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,2,0,0,0,0|2,0,0]=4 2358 B9R0.53 CC(C)CN(C)CC(=O)[O-] 269982a_100000747067_100020667443 [0,2,0,0,0,0|2,0,0]=4 2359 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [0,2,0,0,0,0|1,0,0]=3 2360 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [0,2,0,0,0,0|2,0,0]=4 2361 B9R0.1 C#CC(=O)CCCN(C)C 1458a_100000211873_100000695564 [0,2,0,0,0,0|2,0,0]=4 2362 B9R0.1 C#CC(=O)CCOC(C)C 1458a_100000211873_100000211751 [0,2,0,0,0,0|2,0,0]=4 2363 B9R0.1 C#CC(=O)CCSC(C)C 1458a_100000211873_100000730970 [0,2,0,0,0,0|2,0,0]=4 2364 B9R0.1 C#CC(C)NCOC(=O)C 34a_100000707721_100009813279 [0,2,0,0,0,0|1,0,1]=4 2365 B9R0.1 C#CC(C)OCCC(C)C 34a_100000210254_200000035995 [0,2,0,0,0,0|1,0,1]=4 2366 B9R0.1 C#CC(C)SCOC(=O)C 62a_200000035995_100000076356 [0,2,0,0,0,0|1,0,1]=4 2367 B9R0.1 C#C[C@@H](C)OCCC(C)C 34a_100009815206_100000210312 [0,2,0,0,0,0|1,0,1]=4 2368 B9R0.1 C#C[C@@H](C)OCCC(C)C 7a_100009815206_100000210626 [0,2,0,0,0,0|1,0,1]=4 2369 B9R0.1 C#C[C@@H](C)OCOC(=O)C 34a_100009815206_100009813279 [0,2,0,0,0,0|1,0,1]=4 2370 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,2,0,0,0,0|1,0,0]=3 2371 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,2,0,0,0,0|2,0,0]=4 2372 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [0,2,0,0,0,0|2,0,0]=4 2373 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [0,2,0,0,0,0|2,0,0]=4 2374 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [0,2,0,0,0,0|2,0,0]=4 2375 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [0,2,0,0,0,0|1,0,0]=3 2376 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [0,2,0,0,0,0|1,0,0]=3 2377 B9R0.1 C=CC(=O)NCCC(C)O 240690a_200000755665_200121576911 [0,2,0,0,0,0|2,0,0]=4 2378 B9R0.1 C=CC(=O)NCCN(C)C 240690a_100000210585_200121576911 [0,2,0,0,0,0|2,0,0]=4 2379 B9R0.1 C=CC(=O)NNCC(C)C 22a_100000696102_100000185746 [0,2,0,0,0,0|2,0,0]=4 2380 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000065099_200000210301 [0,2,0,0,0,0|1,0,1]=4 2381 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000070787_100009813456 [0,2,0,0,0,0|1,0,1]=4 2382 B9R0.1 C=CC(=O)OCCC(=O)[13CH3] 1458a_100000065099_200025704644 [0,2,0,0,0,0|1,0,1]=4 2383 B9R0.1 C=CC(=O)OCCN(C)C 2230a_100102631434_100009813456 [0,2,0,0,0,0|1,0,0]=3 2384 B9R0.1 C=CC(=O)OCCN(C)C 269982a_100102631434_100009813456 [0,2,0,0,0,0|1,0,0]=3 2385 B9R0.1 C=CC(C)COCC(C)C 34a_100011215527_100000210624 [0,2,0,0,0,0|2,0,0]=4 2386 B9R0.1 C=CC(C)COCC(C)C 7a_100011215527_100000210760 [0,2,0,0,0,0|2,0,0]=4 2387 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [0,2,0,0,0,0|1,0,0]=3 2388 B9R0.1 C=CC(C)OCCC(C)O 34a_100000695699_100012276601 [0,2,0,0,0,0|2,0,0]=4 2389 B9R0.1 C=CC(C)OCOC(=O)C 34a_100000695699_100009813279 [0,2,0,0,0,0|1,0,1]=4 2390 B9R0.1 C=CC(C)OCOC(C)C 34a_100000695699_100000709892 [0,2,0,0,0,0|2,0,0]=4 2391 B9R0.1 C=CC(C)SCCC(C)C 62a_100011215867_100000210312 [0,2,0,0,0,0|1,1,0]=4 2392 B9R0.1 C=CC(C)SCOC(=O)C 62a_100011215867_100000076356 [0,2,0,0,0,0|1,0,1]=4 2393 B9R0.1 C=CC(O)CNCC(C)C 2230a_100000210953_100000730141 [0,2,0,0,0,0|2,0,0]=4 2394 B9R0.1 C=CC(O)CNCC(C)C 34a_100000210953_100000730141 [0,2,0,0,0,0|2,0,0]=4 2395 B9R0.1 C=CC(O)COCC(C)C 34a_100000210257_100000730141 [0,2,0,0,0,0|2,0,0]=4 2396 B9R0.1 C=CC(O)CSCC(C)C 62a_100000210624_100000730141 [0,2,0,0,0,0|2,0,0]=4 2397 B9R0.1 C=CC(O)CSCC(C)C 62a_100000730141_100000210760 [0,2,0,0,0,0|2,0,0]=4 2398 B9R0.1 C=C[C@H](N)COCC(C)C 34a_100016989147_100000210624 [0,2,0,0,0,0|2,0,0]=4 2399 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [0,2,0,0,0,0|2,0,0]=4 2400 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [0,2,0,0,0,0|2,0,0]=4 2401 B9R0.1 CC(=O)CCOC(C)CF 7a_100016041109_100000053229 [0,2,0,0,0,0|2,0,0]=4 2402 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,2,0,0,0,0|2,0,0]=4 2403 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,2,0,0,0,0|2,0,0]=4 2404 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,2,0,0,0,0|2,0,0]=4 2405 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,2,0,0,0,0|2,0,0]=4 2406 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,2,0,0,0,0|2,0,0]=4 2407 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,2,0,0,0,0|2,0,0]=4 2408 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,2,0,0,0,0|1,0,0]=3 2409 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,2,0,0,0,0|1,0,0]=3 2410 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,2,0,0,0,0|1,0,1]=4 2411 B9R0.1 CC(=O)OCOC(C)C#N 34a_100011218135_100009813279 [0,2,0,0,0,0|1,0,1]=4 2412 B9R0.1 CC(=O)OCOC(C)CF 34a_100016041109_100009813279 [0,2,0,0,0,0|1,0,0]=3 2413 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [0,2,0,0,0,0|1,0,0]=3 2414 B9R0.1 CC(=O)OCSC(C)C#N 62a_100000076356_100000703298 [0,2,0,0,0,0|1,0,1]=4 2415 B9R0.1 CC(=O)OCSC(C)C#N 62a_100000703298_100000076356 [0,2,0,0,0,0|1,0,1]=4 2416 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [0,2,0,0,0,0|1,0,0]=3 2417 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [0,2,0,0,0,0|1,0,0]=3 2418 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [0,2,0,0,0,0|1,0,0]=3 2419 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,2,0,0,0,0|1,0,0]=3 2420 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,2,0,0,0,0|1,0,0]=3 2421 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,2,0,0,0,0|1,0,0]=3 2422 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,2,0,0,0,0|1,0,0]=3 2423 B9R0.1 CC(C)CCOC(C)C#N 34a_100011218135_100000210312 [0,2,0,0,0,0|1,0,1]=4 2424 B9R0.1 CC(C)CCOC(C)C#N 7a_100000210254_100000703298 [0,2,0,0,0,0|1,0,1]=4 2425 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [0,2,0,0,0,0|1,0,1]=4 2426 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [0,2,0,0,0,0|1,0,1]=4 2427 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [0,2,0,0,0,0|1,0,1]=4 2428 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [0,2,0,0,0,0|0,0,2]=4 2429 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [0,2,0,0,0,0|0,0,2]=4 2430 B9R0.1 CC(C)CNNC(=O)CO 22a_100000696102_100000210174 [0,2,0,0,0,0|2,0,0]=4 2431 B9R0.1 CC(C)COCC(=O)CF 1458a_100011223364_100015361967 [0,2,0,0,0,0|2,0,0]=4 2432 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,2,0,0,0,0|2,0,0]=4 2433 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,2,0,0,0,0|2,0,0]=4 2434 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,2,0,0,0,0|1,0,0]=3 2435 B9R0.1 CC(CF)OCCC(=O)N 34a_100016041109_100000731001 [0,2,0,0,0,0|2,0,0]=4 2436 B9R0.1 CC(CF)OCCC(=O)N 7a_100016041109_100000744528 [0,2,0,0,0,0|2,0,0]=4 2437 B9R0.1 CC(CN)COCC(=O)N 34a_100000744482_100000187820 [0,2,0,0,0,0|2,0,0]=4 2438 B9R0.1 CC(CN)COCC(=O)[O-] 34a_100000744482_100020667443 [0,2,0,0,0,0|2,0,0]=4 2439 B9R0.1 CC(CN)OCCC(=O)N 34a_100000210904_100000731001 [0,2,0,0,0,0|2,0,0]=4 2440 B9R0.1 CC(CO)CNCC(=O)N 34a_100000744482_100000187820 [0,2,0,0,0,0|2,0,0]=4 2441 B9R0.1 CC(CO)CNCC(=O)[O-] 34a_100000744482_100020667443 [0,2,0,0,0,0|2,0,0]=4 2442 B9R0.1 CC(CO)OCCC(=O)N 34a_100000757172_100012180447 [0,2,0,0,0,0|2,0,0]=4 2443 B9R0.1 CC(CO)OCCC(=O)N 7a_100000757172_100012180447 [0,2,0,0,0,0|2,0,0]=4 2444 B9R0.1 CC(CO)SCCC(=O)N 62a_100012180447_100000744528 [0,2,0,0,0,0|2,0,0]=4 2445 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,2,0,0,0,0|2,0,0]=4 2446 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,2,0,0,0,0|2,0,0]=4 2447 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,2,0,0,0,0|2,0,0]=4 2448 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,2,0,0,0,0|1,0,0]=3 2449 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,2,0,0,0,0|1,0,0]=3 2450 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,2,0,0,0,0|2,0,0]=4 2451 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,2,0,0,0,0|2,0,0]=4 2452 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,2,0,0,0,0|1,0,1]=4 2453 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,2,0,0,0,0|1,0,1]=4 2454 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,2,0,0,0,0|2,0,0]=4 2455 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,2,0,0,0,0|2,0,0]=4 2456 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,2,0,0,0,0|2,0,0]=4 2457 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,2,0,0,0,0|2,0,0]=4 2458 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,2,0,0,0,0|2,0,0]=4 2459 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,2,0,0,0,0|2,0,0]=4 2460 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,2,0,0,0,0|1,0,0]=3 2461 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,2,0,0,0,0|1,0,0]=3 2462 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,2,0,0,0,0|1,0,0]=3 2463 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,2,0,0,0,0|1,0,0]=3 2464 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,2,0,0,0,0|2,0,0]=4 2465 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,2,0,0,0,0|2,0,0]=4 2466 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [0,2,0,0,0,0|2,0,0]=4 2467 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [0,2,0,0,0,0|2,0,0]=4 2468 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [0,2,0,0,0,0|2,0,0]=4 2469 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,2,0,0,0,0|1,0,0]=3 2470 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,2,0,0,0,0|1,0,0]=3 2471 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,2,0,0,0,0|1,0,0]=3 2472 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,2,0,0,0,0|1,0,0]=3 2473 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,2,0,0,0,0|1,0,1]=4 2474 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [0,2,0,0,0,0|2,0,0]=4 2475 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [0,2,0,0,0,0|2,0,0]=4 2476 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,2,0,0,0,0|2,0,0]=4 2477 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,2,0,0,0,0|2,0,0]=4 2478 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [0,2,0,0,0,0|2,0,0]=4 2479 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [0,2,0,0,0,0|2,0,0]=4 2480 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [0,2,0,0,0,0|2,0,0]=4 2481 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [0,2,0,0,0,0|2,0,0]=4 2482 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [0,2,0,0,0,0|2,0,0]=4 2483 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,2,0,0,0,0|2,0,0]=4 2484 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,2,0,0,0,0|2,0,0]=4 2485 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,2,0,0,0,0|2,0,0]=4 2486 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [0,2,0,0,0,0|2,0,0]=4 2487 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [0,2,0,0,0,0|2,0,0]=4 2488 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [0,2,0,0,0,0|2,0,0]=4 2489 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,2,0,0,0,0|1,0,1]=4 2490 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,2,0,0,0,0|1,0,1]=4 2491 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,2,0,0,0,0|1,0,1]=4 2492 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,2,0,0,0,0|2,0,0]=4 2493 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,2,0,0,0,0|2,0,0]=4 2494 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,2,0,0,0,0|2,0,0]=4 2495 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,2,0,0,0,0|2,0,0]=4 2496 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,2,0,0,0,0|1,0,0]=3 2497 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,2,0,0,0,0|1,0,0]=3 2498 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,2,0,0,0,0|2,0,0]=4 2499 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,2,0,0,0,0|2,0,0]=4 2500 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [0,2,0,0,0,0|2,0,0]=4 2501 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,2,0,0,0,0|2,0,0]=4 2502 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,2,0,0,0,0|2,0,0]=4 2503 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,2,0,0,0,0|2,0,0]=4 2504 B9R0.1 CCN(C)CCNC(=O)N 2230a_100000225621_200000034859 [0,2,0,0,0,0|2,0,0]=4 2505 B9R0.1 CCN(C)CCNC(=O)N 269982a_100000225621_200000034859 [0,2,0,0,0,0|2,0,0]=4 2506 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,2,0,0,0,0|1,0,0]=3 2507 B9R0.1 CCN(C)CCOC(=O)N 269982a_100000225621_200011214921 [0,2,0,0,0,0|1,0,0]=3 2508 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [0,2,0,0,0,0|2,0,0]=4 2509 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,2,0,0,0,0|2,0,0]=4 2510 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,2,0,0,0,0|2,0,0]=4 2511 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [0,2,0,0,0,0|2,0,0]=4 2512 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [0,2,0,0,0,0|2,0,0]=4 2513 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [0,2,0,0,0,0|2,0,0]=4 2514 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [0,2,0,0,0,0|2,0,0]=4 2515 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [0,2,0,0,0,0|2,0,0]=4 2516 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,2,0,0,0,0|2,0,0]=4 2517 B9R0.1 CN(C)CCNC(=O)CO 240690a_100000210585_100000210174 [0,2,0,0,0,0|2,0,0]=4 2518 B9R0.1 CN(C)CCNC(=O)CO 527a_100000210585_100000210174 [0,2,0,0,0,0|2,0,0]=4 2519 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,2,0,0,0,0|2,0,0]=4 2520 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,2,0,0,0,0|1,0,0]=3 2521 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,2,0,0,0,0|1,0,0]=3 2522 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,2,0,0,0,0|1,0,0]=3 2523 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,2,0,0,0,0|1,0,0]=3 2524 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,2,0,0,0,0|2,0,0]=4 2525 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,2,0,0,0,0|2,0,0]=4 2526 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,2,0,0,0,0|2,0,0]=4 2527 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,2,0,0,0,0|2,0,0]=4 2528 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,2,0,0,0,0|2,0,0]=4 2529 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,2,0,0,0,0|2,0,0]=4 2530 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,2,0,0,0,0|2,0,0]=4 2531 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,2,0,0,0,0|2,0,0]=4 2532 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,2,0,0,0,0|2,0,0]=4 2533 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,2,0,0,0,0|2,0,0]=4 2534 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,2,0,0,0,0|2,0,0]=4 2535 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,2,0,0,0,0|2,0,0]=4 2536 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,2,0,0,0,0|2,0,0]=4 2537 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,2,0,0,0,0|2,0,0]=4 2538 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [0,2,0,0,0,0|2,0,0]=4 2539 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [0,2,0,0,0,0|2,0,0]=4 2540 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [0,2,0,0,0,0|2,0,0]=4 2541 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [0,2,0,0,0,0|2,0,0]=4 2542 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [0,2,0,0,0,0|2,0,0]=4 2543 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [0,2,0,0,0,0|2,0,0]=4 2544 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [0,2,0,0,0,0|2,0,0]=4 2545 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [0,2,0,0,0,0|2,0,0]=4 2546 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [0,2,0,0,0,0|2,0,0]=4 2547 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [0,2,0,0,0,0|2,0,0]=4 2548 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [0,2,0,0,0,0|2,0,0]=4 2549 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [0,2,0,0,0,0|2,0,0]=4 2550 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,2,0,0,0,0|1,0,0]=3 2551 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,2,0,0,0,0|1,0,0]=3 2552 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,2,0,0,0,0|1,0,0]=3 2553 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,2,0,0,0,0|1,0,0]=3 2554 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,2,0,0,0,0|1,0,0]=3 2555 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,2,0,0,0,0|1,0,0]=3 2556 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,2,0,0,0,0|2,0,0]=4 2557 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,2,0,0,0,0|2,0,0]=4 2558 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,2,0,0,0,0|2,0,0]=4 2559 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,2,0,0,0,0|2,0,0]=4 2560 B9R0.1 CNC(=O)NCCN(C)C 2708a_100102657272_100000210585 [0,2,0,0,0,0|2,0,0]=4 2561 B9R0.1 CNC(=O)NCCN(C)C 273464a_100000210585_100102657272 [0,2,0,0,0,0|2,0,0]=4 2562 B9R0.1 CNC(=O)NCCN(C)C 273464a_100102657272_100000210585 [0,2,0,0,0,0|2,0,0]=4 2563 B9R0.1 CNC(=O)NCCN(C)C 512a_106832991638_100000210585 [0,2,0,0,0,0|2,0,0]=4 2564 B9R0.1 CNC(=O)NNCC(C)C 273464a_100102657272_100000696102 [0,2,0,0,0,0|2,0,0]=4 2565 B9R0.1 CNC(=O)NNCC(C)C 512a_100000696102_100102657272 [0,2,0,0,0,0|2,0,0]=4 2566 B9R0.1 CNC(=O)NNCC(C)C 512a_106832991638_100000696102 [0,2,0,0,0,0|2,0,0]=4 2567 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,2,0,0,0,0|1,0,1]=4 2568 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,2,0,0,0,0|1,0,0]=3 2569 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [0,2,0,0,0,0|2,0,0]=4 2570 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [0,2,0,0,0,0|1,0,1]=4 2571 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,2,0,0,0,0|2,0,0]=4 2572 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,2,0,0,0,0|2,0,0]=4 2573 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,2,0,0,0,0|2,0,0]=4 2574 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,2,0,0,0,0|2,0,0]=4 2575 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,2,0,0,0,0|2,0,0]=4 2576 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,2,0,0,0,0|2,0,0]=4 2577 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,2,0,0,0,0|2,0,0]=4 2578 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,2,0,0,0,0|2,0,0]=4 2579 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,2,0,0,0,0|2,0,0]=4 2580 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,2,0,0,0,0|2,0,0]=4 2581 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,2,0,0,0,0|2,0,0]=4 2582 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,2,0,0,0,0|2,0,0]=4 2583 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,2,0,0,0,0|2,0,0]=4 2584 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,2,0,0,0,0|2,0,0]=4 2585 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,2,0,0,0,0|1,0,0]=3 2586 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [0,2,0,0,0,0|2,0,0]=4 2587 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [0,2,0,0,0,0|2,0,0]=4 2588 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,2,0,0,0,0|1,0,0]=3 2589 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [0,2,0,0,0,0|1,0,1]=4 2590 B9R0.1 COC(C)COCC(=O)N 34a_100000690652_100000187820 [0,2,0,0,0,0|2,0,0]=4 2591 B9R0.1 COC(C)COCC(=O)[O-] 34a_100000690652_100020667443 [0,2,0,0,0,0|2,0,0]=4 2592 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,2,0,0,0,0|2,0,0]=4 2593 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,2,0,0,0,0|2,0,0]=4 2594 B9R0.1 COC(C)SCCC(=O)N 62a_100000744528_100009879195 [0,2,0,0,0,0|2,0,0]=4 2595 B9R0.1 COC(C)SCCC(=O)N 62a_100009879195_100000744528 [0,2,0,0,0,0|2,0,0]=4 2596 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [0,2,0,0,0,0|1,0,0]=3 2597 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [0,2,0,0,0,0|1,0,0]=3 2598 B9R0.1 CO[C@H](C)CNCC(=O)N 2230a_100020591295_100000747473 [0,2,0,0,0,0|2,0,0]=4 2599 B9R0.1 C[C@@H](CO)CNCC(=O)N 2230a_100000711301_100000059175 [0,2,0,0,0,0|2,0,0]=4 2600 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,2,0,0,0,0|2,0,0]=4 2601 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000059175_100000747473 [0,2,0,0,0,0|2,0,0]=4 2602 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000747473_100000059175 [0,2,0,0,0,0|2,0,0]=4 2603 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100000059175_100020667443 [0,2,0,0,0,0|2,0,0]=4 2604 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100020667443_100000059175 [0,2,0,0,0,0|2,0,0]=4 2605 B9R0.1 C[C@H](CO)NCCC(=O)N 2230a_100000737577_100000744528 [0,2,0,0,0,0|2,0,0]=4 2606 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100000744528_100016084084 [0,2,0,0,0,0|2,0,0]=4 2607 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100016084084_100000744528 [0,2,0,0,0,0|2,0,0]=4 2608 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [0,2,0,0,0,0|1,0,1]=4 2609 B9R0.5 C#CCN(C)CCCC=O 2230a_100000225692_200011292268 [0,2,0,0,0,0|2,0,0]=4 2610 B9R0.5 C#CCN(C)CCOC=C 2230a_100000225692_100000039644 [0,2,0,0,0,0|2,0,0]=4 2611 B9R0.5 C#CCN(C)CCOC=C 34a_100000225692_100000039644 [0,2,0,0,0,0|2,0,0]=4 2612 B9R0.5 C=CCC(C)COCC=O 34a_100009832082_200009817547 [0,2,0,0,0,0|2,0,0]=4 2613 B9R0.5 C=CCC(C)COCC=O 7a_100009832082_200015260668 [0,2,0,0,0,0|2,0,0]=4 2614 B9R0.5 C=CCN(C)CCCC=O 2230a_100000225617_200011292268 [0,2,0,0,0,0|2,0,0]=4 2615 B9R0.5 C=CCN(C)CCCC=O 269982a_100000225617_200011292268 [0,2,0,0,0,0|2,0,0]=4 2616 B9R0.5 C=CCN(C)CCOC=C 2230a_100000225617_100000039644 [0,2,0,0,0,0|2,0,0]=4 2617 B9R0.5 C=CCN(C)CCOC=C 269982a_100000225617_100000039644 [0,2,0,0,0,0|2,0,0]=4 2618 B9R0.5 C=COCCN(C)CC#N 2230a_100000748184_100000039644 [0,2,0,0,0,0|2,0,0]=4 2619 B9R0.5 C=COCCN(C)CCC 2230a_100000747261_100000039644 [0,2,0,0,0,0|2,0,0]=4 2620 B9R0.5 C=COCCN(C)CCC 269982a_100000747261_100000039644 [0,2,0,0,0,0|2,0,0]=4 2621 B9R0.5 C=COCCN(C)CCO 2230a_100000210263_100000039644 [0,2,0,0,0,0|2,0,0]=4 2622 B9R0.5 C=COCCN(C)CCO 269982a_100000210263_100000039644 [0,2,0,0,0,0|2,0,0]=4 2623 B9R0.5 CC(CCN)COCC=O 34a_106354213184_200009817547 [0,2,0,0,0,0|2,0,0]=4 2624 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [0,2,0,0,0,0|1,0,1]=4 2625 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [0,2,0,0,0,0|1,0,1]=4 2626 B9R0.5 CCCC(C)CCOCF 34a_100011217855_100015361967 [0,2,0,0,0,0|1,0,1]=4 2627 B9R0.5 CCCC(C)CCOCF 7a_100011217855_100015361967 [0,2,0,0,0,0|1,0,1]=4 2628 B9R0.5 CCCC(C)COCC=O 34a_100000688023_200009817547 [0,2,0,0,0,0|2,0,0]=4 2629 B9R0.5 CCCC(C)COCC=O 7a_100000688023_200015260668 [0,2,0,0,0,0|2,0,0]=4 2630 B9R0.5 CCCC(C)CSCC=O 62a_100011216630_200015260668 [0,2,0,0,0,0|2,0,0]=4 2631 B9R0.5 CCCC(C)CSCC=O 62a_200015260668_100011216630 [0,2,0,0,0,0|2,0,0]=4 2632 B9R0.5 CCCN(C)CCCC=O 2230a_100000747261_200011292268 [0,2,0,0,0,0|2,0,0]=4 2633 B9R0.5 CCCN(C)CCCC=O 269982a_100000747261_200011292268 [0,2,0,0,0,0|2,0,0]=4 2634 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [0,2,0,0,0,0|1,0,1]=4 2635 B9R0.5 CN(CC#N)CCCC=O 2230a_100000748184_200011292268 [0,2,0,0,0,0|2,0,0]=4 2636 B9R0.5 CN(CCO)CCCC=O 2230a_100000210263_200011292268 [0,2,0,0,0,0|2,0,0]=4 2637 B9R0.5 CN(CCO)CCCC=O 269982a_100000210263_200011292268 [0,2,0,0,0,0|2,0,0]=4 2638 B9R0.8 CCC(C)C(C)OCC=O 7a_100011215189_200015260668 [0,2,0,0,0,0|2,0,0]=4 2639 B9R0.20 CC(C)(CCl)COCC=O 7a_100011217199_200015260668 [0,2,0,0,0,0|2,0,0]=4 2640 B9R0.20 CC(C)(CO)CNCC=O 2230a_100020635058_200015260668 [0,2,0,0,0,0|2,0,0]=4 2641 B9R0.20 CC(C)(CO)CSCC=O 62a_100009813988_200015260668 [0,2,0,0,0,0|2,0,0]=4 2642 B9R0.20 CC(C)(CO)CSCC=O 62a_200015260668_100009813988 [0,2,0,0,0,0|2,0,0]=4 2643 B9R0.20 CCC(C)(C)COCC=O 7a_100000765029_200015260668 [0,2,0,0,0,0|2,0,0]=4 2644 B9R0.20 CCOCCC(C)(C)OC 7a_100000699976_100000210202 [0,2,0,0,0,0|1,0,1]=4 2645 B9R0.20 COC(C)(C)CCOCF 7a_100000699976_100015361967 [0,2,0,0,0,0|1,0,1]=4 2646 B9R0.20 COC(C)(C)CNCC=O 2230a_100000763424_200015260668 [0,2,0,0,0,0|2,0,0]=4 2647 B9R0.20 COC(C)(C)CSCC=O 62a_100000701081_200015260668 [0,2,0,0,0,0|2,0,0]=4 2648 B9R0.20 COC(C)(C)CSCC=O 62a_200015260668_100000701081 [0,2,0,0,0,0|2,0,0]=4 2649 B9R0.46 C#CC(C)NCCCC=O 2230a_100000707721_200011292268 [0,2,0,0,0,0|1,0,1]=4 2650 B9R0.46 C#CC(C)NCCOC=C 2230a_100000707721_100000039644 [0,2,0,0,0,0|1,0,1]=4 2651 B9R0.46 C#CC(C)NCCOC=C 34a_100000707721_100000039644 [0,2,0,0,0,0|1,0,1]=4 2652 B9R0.46 C#CC(C)OCCOC=C 34a_100000033082_200000035995 [0,2,0,0,0,0|1,0,1]=4 2653 B9R0.46 C#CC(C)SCCCC=O 62a_200000035995_200011292268 [0,2,0,0,0,0|1,0,1]=4 2654 B9R0.46 C#CC(C)SCCOC=C 62a_200000035995_100000039644 [0,2,0,0,0,0|1,0,1]=4 2655 B9R0.46 C#CCOCCC(C)CC 7a_100011215188_100000038162 [0,2,0,0,0,0|1,0,1]=4 2656 B9R0.46 C#CCOCCC(C)OC 7a_100000764861_100000038162 [0,2,0,0,0,0|1,0,1]=4 2657 B9R0.46 C#C[C@@H](C)OCCCC=O 7a_100009815206_200011292268 [0,2,0,0,0,0|1,0,1]=4 2658 B9R0.46 C#C[C@@H](C)OCCOC=C 34a_100009815206_100000039644 [0,2,0,0,0,0|1,0,1]=4 2659 B9R0.46 C#C[C@@H](C)OCCOC=C 7a_100009815206_100000039644 [0,2,0,0,0,0|1,0,1]=4 2660 B9R0.46 C/C=C/CCOC(C)CC 34a_100016278192_100011215416 [0,2,0,0,0,0|2,0,0]=4 2661 B9R0.46 C/C=C/CCOC(C)CO 34a_100016278192_100012180447 [0,2,0,0,0,0|2,0,0]=4 2662 B9R0.46 C/C=C/CNCC(C)CO 34a_100000744482_100102629194 [0,2,0,0,0,0|2,0,0]=4 2663 B9R0.46 C/C=C/COCC(C)CC 34a_100016270725_100000748023 [0,2,0,0,0,0|2,0,0]=4 2664 B9R0.46 C/C=C/COCC(C)CN 34a_100000744482_100102629194 [0,2,0,0,0,0|2,0,0]=4 2665 B9R0.46 C/C=C/COCC(C)OC 34a_100000690652_100102629194 [0,2,0,0,0,0|2,0,0]=4 2666 B9R0.46 C/C=C/COC[C@@H](C)CC 34a_100016270725_100009816398 [0,2,0,0,0,0|2,0,0]=4 2667 B9R0.46 C/C=C/COC[C@@H](C)CC 7a_100009816381_100102629194 [0,2,0,0,0,0|2,0,0]=4 2668 B9R0.46 C/C=C/COC[C@@H](C)CO 34a_100016270725_100000059175 [0,2,0,0,0,0|2,0,0]=4 2669 B9R0.46 C/C=C/CSCC(C)CC 62a_100000748023_100102629194 [0,2,0,0,0,0|2,0,0]=4 2670 B9R0.46 C/C=C/CSCC(C)CC 62a_100102629194_100000748023 [0,2,0,0,0,0|2,0,0]=4 2671 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100009816398_100102629194 [0,2,0,0,0,0|2,0,0]=4 2672 B9R0.46 C/C=C/CSC[C@@H](C)CC 62a_100102629194_100009816398 [0,2,0,0,0,0|2,0,0]=4 2673 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100000059175_100102629194 [0,2,0,0,0,0|2,0,0]=4 2674 B9R0.46 C/C=C/CSC[C@@H](C)CO 62a_100102629194_100000059175 [0,2,0,0,0,0|2,0,0]=4 2675 B9R0.46 C=CC(C)SCCCC=O 62a_100011215867_200011292268 [0,2,0,0,0,0|1,0,1]=4 2676 B9R0.46 C=CCCCNC(C)CC 2230a_100000209981_100011713584 [0,2,0,0,0,0|2,0,0]=4 2677 B9R0.46 C=CCCCNC(C)CC 2230a_100000700776_100000758301 [0,2,0,0,0,0|2,0,0]=4 2678 B9R0.46 C=CCCCNC(C)CC 34a_100000700776_100011215416 [0,2,0,0,0,0|2,0,0]=4 2679 B9R0.46 C=CCCCNC(C)CO 2230a_100000700776_100012180447 [0,2,0,0,0,0|2,0,0]=4 2680 B9R0.46 C=CCCCNC(C)CO 34a_100000700776_100012180447 [0,2,0,0,0,0|2,0,0]=4 2681 B9R0.46 C=CCCCN[C@H](C)CO 2230a_100000737577_100011713584 [0,2,0,0,0,0|2,0,0]=4 2682 B9R0.46 C=CCCCOC(C)CC 34a_100000758997_100011215416 [0,2,0,0,0,0|2,0,0]=4 2683 B9R0.46 C=CCCCOC(C)CC 7a_100000210228_100000757094 [0,2,0,0,0,0|2,0,0]=4 2684 B9R0.46 C=CCCCOC(C)CC 7a_100000758997_100000758301 [0,2,0,0,0,0|2,0,0]=4 2685 B9R0.46 C=CCCCOC(C)CF 34a_100016041109_100000757094 [0,2,0,0,0,0|2,0,0]=4 2686 B9R0.46 C=CCCCOC(C)CF 7a_100016041109_100000757094 [0,2,0,0,0,0|2,0,0]=4 2687 B9R0.46 C=CCCCOC(C)CN 34a_100000210904_100000757094 [0,2,0,0,0,0|2,0,0]=4 2688 B9R0.46 C=CCCCOC(C)CO 34a_100000758997_100012180447 [0,2,0,0,0,0|2,0,0]=4 2689 B9R0.46 C=CCCCOC(C)CO 7a_100000758997_100012180447 [0,2,0,0,0,0|2,0,0]=4 2690 B9R0.46 C=CCCCSC(C)CC 62a_100000758301_100000757094 [0,2,0,0,0,0|2,0,0]=4 2691 B9R0.46 C=CCCCSC(C)CC 62a_100011713584_100000758301 [0,2,0,0,0,0|2,0,0]=4 2692 B9R0.46 C=CCCCSC(C)CO 62a_100012180447_100000757094 [0,2,0,0,0,0|2,0,0]=4 2693 B9R0.46 C=CCCCSC(C)OC 62a_100009879195_100000757094 [0,2,0,0,0,0|2,0,0]=4 2694 B9R0.46 C=CCCCSC(C)OC 62a_100011713584_100009879195 [0,2,0,0,0,0|2,0,0]=4 2695 B9R0.46 C=CCCCS[C@H](C)CO 62a_100011713584_100016084084 [0,2,0,0,0,0|2,0,0]=4 2696 B9R0.46 C=CCCCS[C@H](C)CO 62a_100016084084_100000757094 [0,2,0,0,0,0|2,0,0]=4 2697 B9R0.46 C=CCCNCC(C)CC 2230a_100015191253_100000748023 [0,2,0,0,0,0|2,0,0]=4 2698 B9R0.46 C=CCCNCC(C)CC 2230a_100020588543_100000754431 [0,2,0,0,0,0|2,0,0]=4 2699 B9R0.46 C=CCCNCC(C)CC 270004a_100015191253_100000243153 [0,2,0,0,0,0|2,0,0]=4 2700 B9R0.46 C=CCCNCC(C)CO 34a_100000744482_100000754431 [0,2,0,0,0,0|2,0,0]=4 2701 B9R0.46 C=CCCNC[C@@H](C)CC 2230a_100015191253_100009816398 [0,2,0,0,0,0|2,0,0]=4 2702 B9R0.46 C=CCCNC[C@@H](C)CO 2230a_100015191253_100000059175 [0,2,0,0,0,0|2,0,0]=4 2703 B9R0.46 C=CCCNC[C@@H](C)OC 2230a_100020591295_100000754431 [0,2,0,0,0,0|2,0,0]=4 2704 B9R0.46 C=CCCOCC(C)CC 34a_100011205117_100000748023 [0,2,0,0,0,0|2,0,0]=4 2705 B9R0.46 C=CCCOCC(C)CN 34a_100000744482_100000754431 [0,2,0,0,0,0|2,0,0]=4 2706 B9R0.46 C=CCCOCC(C)OC 34a_100000690652_100000754431 [0,2,0,0,0,0|2,0,0]=4 2707 B9R0.46 C=CCCOC[C@@H](C)CC 34a_100011205117_100009816398 [0,2,0,0,0,0|2,0,0]=4 2708 B9R0.46 C=CCCOC[C@@H](C)CC 7a_100009816381_100000754431 [0,2,0,0,0,0|2,0,0]=4 2709 B9R0.46 C=CCCOC[C@@H](C)CO 34a_100011205117_100000059175 [0,2,0,0,0,0|2,0,0]=4 2710 B9R0.46 C=CCCSCC(C)CC 62a_100000748023_100000754431 [0,2,0,0,0,0|2,0,0]=4 2711 B9R0.46 C=CCCSCC(C)CC 62a_100000754431_100000748023 [0,2,0,0,0,0|2,0,0]=4 2712 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100000754431_100009816398 [0,2,0,0,0,0|2,0,0]=4 2713 B9R0.46 C=CCCSC[C@@H](C)CC 62a_100009816398_100000754431 [0,2,0,0,0,0|2,0,0]=4 2714 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000059175_100000754431 [0,2,0,0,0,0|2,0,0]=4 2715 B9R0.46 C=CCCSC[C@@H](C)CO 62a_100000754431_100000059175 [0,2,0,0,0,0|2,0,0]=4 2716 B9R0.46 C=CCNCCC(C)CC 2230a_100020591266_100000210623 [0,2,0,0,0,0|2,0,0]=4 2717 B9R0.46 C=CCNCCC(C)CO 2230a_106354213184_100000210623 [0,2,0,0,0,0|2,0,0]=4 2718 B9R0.46 C=CCNCCC(C)CO 34a_106354213184_100015514636 [0,2,0,0,0,0|2,0,0]=4 2719 B9R0.46 C=CCOCCC(C)CC 7a_100011215188_100015514636 [0,2,0,0,0,0|1,0,0]=3 2720 B9R0.46 C=CCOCCC(C)OC 7a_100000764861_100015514636 [0,2,0,0,0,0|1,0,0]=3 2721 B9R0.46 C=COCCNC(C)C#N 2230a_100000737613_100000039644 [0,2,0,0,0,0|1,0,1]=4 2722 B9R0.46 C=COCCNC(C)CC 2230a_100000209981_100000039644 [0,2,0,0,0,0|1,0,0]=3 2723 B9R0.46 C=COCCN[C@H](C)CO 2230a_100000737577_100000039644 [0,2,0,0,0,0|1,0,0]=3 2724 B9R0.46 C=COCCOC(C)C#N 34a_100011218135_100000039644 [0,2,0,0,0,0|1,0,1]=4 2725 B9R0.46 C=COCCOC(C)C=C 34a_100000695699_100000039644 [0,2,0,0,0,0|1,0,1]=4 2726 B9R0.46 C=COCCOC(C)CC 34a_100000033082_100011215416 [0,2,0,0,0,0|1,0,0]=3 2727 B9R0.46 C=COCCOC(C)CC 7a_100000210228_100000039644 [0,2,0,0,0,0|1,0,0]=3 2728 B9R0.46 C=COCCOC(C)CF 34a_100016041109_100000039644 [0,2,0,0,0,0|1,0,0]=3 2729 B9R0.46 C=COCCOC(C)CF 7a_100016041109_100000039644 [0,2,0,0,0,0|1,0,0]=3 2730 B9R0.46 C=COCCOC(C)CN 34a_100000210904_100000039644 [0,2,0,0,0,0|1,0,0]=3 2731 B9R0.46 C=COCCOC(C)CO 34a_100000033082_100012180447 [0,2,0,0,0,0|1,0,0]=3 2732 B9R0.46 C=COCCSC(C)C#N 62a_100000039644_100000703298 [0,2,0,0,0,0|1,0,1]=4 2733 B9R0.46 C=COCCSC(C)C#N 62a_100000703298_100000039644 [0,2,0,0,0,0|1,0,1]=4 2734 B9R0.46 C=COCCSC(C)C=C 62a_100011215867_100000039644 [0,2,0,0,0,0|1,0,1]=4 2735 B9R0.46 C=COCCSC(C)CC 62a_100000039644_100000758301 [0,2,0,0,0,0|1,0,0]=3 2736 B9R0.46 C=COCCSC(C)CC 62a_100000758301_100000039644 [0,2,0,0,0,0|1,0,0]=3 2737 B9R0.46 C=COCCSC(C)CO 62a_100012180447_100000039644 [0,2,0,0,0,0|1,0,0]=3 2738 B9R0.46 C=COCCSC(C)OC 62a_100000039644_100009879195 [0,2,0,0,0,0|1,0,0]=3 2739 B9R0.46 C=COCCSC(C)OC 62a_100009879195_100000039644 [0,2,0,0,0,0|1,0,0]=3 2740 B9R0.46 C=COCCS[C@H](C)CO 62a_100000039644_100016084084 [0,2,0,0,0,0|1,0,0]=3 2741 B9R0.46 C=COCCS[C@H](C)CO 62a_100016084084_100000039644 [0,2,0,0,0,0|1,0,0]=3 2742 B9R0.46 CC(C#N)NCCCC=O 2230a_100000737613_200011292268 [0,2,0,0,0,0|1,0,1]=4 2743 B9R0.46 CC(C#N)SCCCC=O 62a_100000703298_200011292268 [0,2,0,0,0,0|1,0,1]=4 2744 B9R0.46 CC(C#N)SCCCC=O 62a_200011292268_100000703298 [0,2,0,0,0,0|1,0,1]=4 2745 B9R0.46 CC(CF)OCCCC=O 7a_100016041109_200011292268 [0,2,0,0,0,0|1,0,0]=3 2746 B9R0.46 CC(CO)CCNCC=O 2230a_106354213184_200015260668 [0,2,0,0,0,0|1,0,0]=3 2747 B9R0.46 CC(CO)CCNCC=O 34a_106354213184_200009817547 [0,2,0,0,0,0|1,0,0]=3 2748 B9R0.46 CC(CO)SCCCC=O 62a_100012180447_200011292268 [0,2,0,0,0,0|1,0,0]=3 2749 B9R0.46 CC=CCNCC(C)CC 2230a_100020588543_100000070051 [0,2,0,0,0,0|2,0,0]=4 2750 B9R0.46 CC=CCNCC(C)CO 34a_100000744482_100000070051 [0,2,0,0,0,0|2,0,0]=4 2751 B9R0.46 CC=CCNC[C@@H](C)OC 2230a_100020591295_100000070051 [0,2,0,0,0,0|2,0,0]=4 2752 B9R0.46 CC=CCOCC(C)CN 34a_100000744482_100000070051 [0,2,0,0,0,0|2,0,0]=4 2753 B9R0.46 CC=CCOCC(C)OC 34a_100000690652_100000070051 [0,2,0,0,0,0|2,0,0]=4 2754 B9R0.46 CC=CCOC[C@@H](C)CC 7a_100009816381_100000070051 [0,2,0,0,0,0|2,0,0]=4 2755 B9R0.46 CC=CCSCC(C)CC 62a_100000070051_100000748023 [0,2,0,0,0,0|2,0,0]=4 2756 B9R0.46 CC=CCSCC(C)CC 62a_100000748023_100000070051 [0,2,0,0,0,0|2,0,0]=4 2757 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100000070051_100009816398 [0,2,0,0,0,0|2,0,0]=4 2758 B9R0.46 CC=CCSC[C@@H](C)CC 62a_100009816398_100000070051 [0,2,0,0,0,0|2,0,0]=4 2759 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000059175_100000070051 [0,2,0,0,0,0|2,0,0]=4 2760 B9R0.46 CC=CCSC[C@@H](C)CO 62a_100000070051_100000059175 [0,2,0,0,0,0|2,0,0]=4 2761 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [0,2,0,0,0,0|1,0,1]=4 2762 B9R0.46 CCC(C)CCNCC=O 2230a_100020591266_200015260668 [0,2,0,0,0,0|1,0,0]=3 2763 B9R0.46 CCC(C)CCOCC#N 7a_100011215188_100011215382 [0,2,0,0,0,0|1,0,1]=4 2764 B9R0.46 CCC(C)CCOCC=O 7a_100011215188_200015260668 [0,2,0,0,0,0|0,0,0]=2 2765 B9R0.46 CCC(C)CCOCCF 7a_100011215188_100011217306 [0,2,0,0,0,0|1,0,1]=4 2766 B9R0.46 CCC(C)CCOCCO 7a_100011215188_100000211926 [0,2,0,0,0,0|0,0,2]=4 2767 B9R0.46 CCC(C)NCCCC=O 2230a_100000209981_200011292268 [0,2,0,0,0,0|1,0,0]=3 2768 B9R0.46 CCC(C)OCCCC=O 7a_100000210228_200011292268 [0,2,0,0,0,0|1,0,0]=3 2769 B9R0.46 CCC(C)SCCCC=O 62a_100000758301_200011292268 [0,2,0,0,0,0|1,0,0]=3 2770 B9R0.46 CCC(C)SCCCC=O 62a_200011292268_100000758301 [0,2,0,0,0,0|1,0,0]=3 2771 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [0,2,0,0,0,0|1,0,1]=4 2772 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,2,0,0,0,0|1,0,1]=4 2773 B9R0.46 CCN(C)CCCCC=O 2230a_100000225621_100000139335 [0,2,0,0,0,0|2,0,0]=4 2774 B9R0.46 CCN(C)CCCCC=O 269982a_100000225621_100000139335 [0,2,0,0,0,0|2,0,0]=4 2775 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [0,2,0,0,0,0|1,0,1]=4 2776 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [0,2,0,0,0,0|1,0,1]=4 2777 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [0,2,0,0,0,0|1,0,1]=4 2778 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [0,2,0,0,0,0|1,0,1]=4 2779 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [0,2,0,0,0,0|1,0,1]=4 2780 B9R0.46 CCOCCNC(C)CO 2230a_102516460346_100012180447 [0,2,0,0,0,0|1,0,1]=4 2781 B9R0.46 CCOCCNC(C)CO 34a_102516460346_100012180447 [0,2,0,0,0,0|1,0,1]=4 2782 B9R0.46 CCOCCN[C@H](C)CO 2230a_100000737577_100011215890 [0,2,0,0,0,0|1,0,1]=4 2783 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [0,2,0,0,0,0|1,0,1]=4 2784 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [0,2,0,0,0,0|1,0,1]=4 2785 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [0,2,0,0,0,0|1,0,1]=4 2786 B9R0.46 CCOCCOC(C)CF 34a_100016041109_100000210147 [0,2,0,0,0,0|1,0,1]=4 2787 B9R0.46 CCOCCOC(C)CF 7a_100016041109_100011215890 [0,2,0,0,0,0|1,0,1]=4 2788 B9R0.46 CCOCCOC(C)CN 34a_100000210904_100000210147 [0,2,0,0,0,0|1,0,1]=4 2789 B9R0.46 CCOCCOC(C)CO 34a_100000210136_100012180447 [0,2,0,0,0,0|1,0,1]=4 2790 B9R0.46 CCOCCOC(C)CO 7a_100000210136_100012180447 [0,2,0,0,0,0|1,0,1]=4 2791 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [0,2,0,0,0,0|1,0,1]=4 2792 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [0,2,0,0,0,0|1,0,1]=4 2793 B9R0.46 CCOCCSC(C)CO 62a_100012180447_100011215890 [0,2,0,0,0,0|1,0,1]=4 2794 B9R0.46 CCOCCSC(C)OC 62a_100000210147_100009879195 [0,2,0,0,0,0|1,0,1]=4 2795 B9R0.46 CCOCCSC(C)OC 62a_100009879195_100011215890 [0,2,0,0,0,0|1,0,1]=4 2796 B9R0.46 CCOCCS[C@H](C)CO 62a_100000210147_100016084084 [0,2,0,0,0,0|1,0,1]=4 2797 B9R0.46 CCOCCS[C@H](C)CO 62a_100016084084_100011215890 [0,2,0,0,0,0|1,0,1]=4 2798 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [0,2,0,0,0,0|1,0,1]=4 2799 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [0,2,0,0,0,0|1,0,1]=4 2800 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [0,2,0,0,0,0|1,0,1]=4 2801 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [0,2,0,0,0,0|1,0,1]=4 2802 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000059175_100000739092 [0,2,0,0,0,0|1,0,1]=4 2803 B9R0.46 CCOCSC[C@@H](C)CO 62a_100000739092_100000059175 [0,2,0,0,0,0|1,0,1]=4 2804 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [0,2,0,0,0,0|1,0,1]=4 2805 B9R0.46 COC(C)CCOCC#N 7a_100000764861_100011215382 [0,2,0,0,0,0|1,0,1]=4 2806 B9R0.46 COC(C)CCOCC=O 7a_100000764861_200015260668 [0,2,0,0,0,0|0,0,0]=2 2807 B9R0.46 COC(C)CCOCCF 7a_100000764861_100011217306 [0,2,0,0,0,0|1,0,1]=4 2808 B9R0.46 COC(C)CCOCCO 7a_100000764861_100000211926 [0,2,0,0,0,0|0,0,2]=4 2809 B9R0.46 COC(C)SCCCC=O 62a_100009879195_200011292268 [0,2,0,0,0,0|1,0,0]=3 2810 B9R0.46 COC(C)SCCCC=O 62a_200011292268_100009879195 [0,2,0,0,0,0|1,0,0]=3 2811 B9R0.46 C[C@@H](CN)CCCOCF 34a_100160569302_100015361967 [0,2,0,0,0,0|1,0,1]=4 2812 B9R0.46 C[C@H](CO)NCCCC=O 2230a_100000737577_200011292268 [0,2,0,0,0,0|1,0,0]=3 2813 B9R0.46 C[C@H](CO)SCCCC=O 62a_100016084084_200011292268 [0,2,0,0,0,0|1,0,0]=3 2814 B9R0.46 C[C@H](CO)SCCCC=O 62a_200011292268_100016084084 [0,2,0,0,0,0|1,0,0]=3 2815 B9R0.47 C#CCOC[C@H](N)C(C)C 34a_100011830312_100000184674 [0,2,0,0,0,0|1,0,1]=4 2816 B9R0.47 C/C=C/COC(C)C(C)C 7a_100000748068_100102629194 [0,2,0,0,0,0|2,0,0]=4 2817 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [0,2,0,0,0,0|2,0,0]=4 2818 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [0,2,0,0,0,0|2,0,0]=4 2819 B9R0.47 C=CCCCN(C)C(C)C 269982a_200000211004_100000757094 [0,2,0,0,0,0|2,0,0]=4 2820 B9R0.47 C=CCCNC(C)C(C)C 2230a_100000211541_100000754431 [0,2,0,0,0,0|2,0,0]=4 2821 B9R0.47 C=CCCOC(C)C(C)C 7a_100000748068_100000754431 [0,2,0,0,0,0|2,0,0]=4 2822 B9R0.47 C=CCNCC(O)C(C)C 2230a_100000759067_100000210623 [0,2,0,0,0,0|2,0,0]=4 2823 B9R0.47 C=CCNCC(O)C(C)C 34a_100000759067_100015514636 [0,2,0,0,0,0|2,0,0]=4 2824 B9R0.47 C=CCOCC(=O)C(C)C 34a_200000210373_100000753385 [0,2,0,0,0,0|1,0,1]=4 2825 B9R0.47 C=CCOC[C@H](N)C(C)C 34a_100011830312_100015514636 [0,2,0,0,0,0|1,0,0]=3 2826 B9R0.47 C=COCCC(=O)C(C)C 1458a_100000210198_100000039644 [0,2,0,0,0,0|1,0,0]=3 2827 B9R0.47 C=COCCC(=O)C(C)F 1458a_100000062450_100000039644 [0,2,0,0,0,0|2,0,0]=4 2828 B9R0.47 C=COCCC(=O)[C@@H](C)O 1458a_100000717761_100000039644 [0,2,0,0,0,0|2,0,0]=4 2829 B9R0.47 C=COCCC(=O)[C@H](C)O 1458a_217856618621_100000039644 [0,2,0,0,0,0|2,0,0]=4 2830 B9R0.47 C=COCCN(C)C(C)C 269982a_200000211004_100000039644 [0,2,0,0,0,0|1,0,0]=3 2831 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [0,2,0,0,0,0|1,0,1]=4 2832 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [0,2,0,0,0,0|1,0,1]=4 2833 B9R0.47 CC(C)C(=O)CSCC=O 62a_100000753385_200015260668 [0,2,0,0,0,0|0,1,1]=4 2834 B9R0.47 CC(C)C(=O)CSCC=O 62a_200015260668_100000753385 [0,2,0,0,0,0|0,1,1]=4 2835 B9R0.47 CC(C)C(N)CCOCF 34a_100161115045_100015361967 [0,2,0,0,0,0|1,0,1]=4 2836 B9R0.47 CC(C)C(O)CNCC=O 2230a_100000759067_200015260668 [0,2,0,0,0,0|1,0,0]=3 2837 B9R0.47 CC(C)C(O)CNCC=O 34a_100000759067_200009817547 [0,2,0,0,0,0|1,0,0]=3 2838 B9R0.47 CC(C)N(C)CCCC=O 269982a_200000211004_200011292268 [0,2,0,0,0,0|1,0,0]=3 2839 B9R0.47 CC(C)[C@@H](N)COCC=O 34a_100011830312_200009817547 [0,2,0,0,0,0|0,0,0]=2 2840 B9R0.47 CC(C)[C@@H](N)COCCF 34a_100011830312_100011217306 [0,2,0,0,0,0|1,0,1]=4 2841 B9R0.47 CC(C)[C@@H](N)COCCO 34a_100011830312_100000211926 [0,2,0,0,0,0|0,0,2]=4 2842 B9R0.47 CC=CCNC(C)C(C)C 2230a_100000211541_100000070051 [0,2,0,0,0,0|2,0,0]=4 2843 B9R0.47 CC=CCOC(C)C(C)C 7a_100000748068_100000070051 [0,2,0,0,0,0|2,0,0]=4 2844 B9R0.47 CCCOC[C@H](N)C(C)C 34a_100011830312_100000210303 [0,2,0,0,0,0|1,0,1]=4 2845 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,2,0,0,0,0|1,0,1]=4 2846 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,2,0,0,0,0|1,0,1]=4 2847 B9R0.47 CCOCCC(C)N(C)C 270004a_100102631434_200011216536 [0,2,0,0,0,0|1,0,1]=4 2848 B9R0.47 CCOCCC(N)C(C)C 34a_100161115045_100000210202 [0,2,0,0,0,0|1,0,1]=4 2849 B9R0.47 CCOCCN(C)C(C)C 269982a_200000211004_100011215890 [0,2,0,0,0,0|1,0,1]=4 2850 B9R0.47 CSCOC[C@H](N)C(C)C 34a_100011830312_100011218213 [0,2,0,0,0,0|0,1,1]=4 2851 B9R0.50 C=COCCN(CC)CC 2230a_100000724800_100000039644 [0,2,0,0,0,0|2,0,0]=4 2852 B9R0.50 C=COCCN(CC)CC 269956a_100000042499_100000039644 [0,2,0,0,0,0|2,0,0]=4 2853 B9R0.50 C=COCCN(CC)CC 269982a_100000724800_100000039644 [0,2,0,0,0,0|2,0,0]=4 2854 B9R0.50 CCC(CC)CNCC=O 2230a_100102946423_200015260668 [0,2,0,0,0,0|2,0,0]=4 2855 B9R0.50 CCC(CC)COCC=O 7a_100000703878_200015260668 [0,2,0,0,0,0|2,0,0]=4 2856 B9R0.50 CCC(CC)CSCC=O 62a_100011215472_200015260668 [0,2,0,0,0,0|2,0,0]=4 2857 B9R0.50 CCC(CC)CSCC=O 62a_200015260668_100011215472 [0,2,0,0,0,0|2,0,0]=4 2858 B9R0.50 CCC(COCC=O)OC 34a_100011934954_200009817547 [0,2,0,0,0,0|2,0,0]=4 2859 B9R0.50 CCC(COCC=O)OC 7a_100011934954_200015260668 [0,2,0,0,0,0|2,0,0]=4 2860 B9R0.50 CCN(CC)CCCC=O 2230a_100000724800_200011292268 [0,2,0,0,0,0|2,0,0]=4 2861 B9R0.50 CCN(CC)CCCC=O 269956a_100000042499_200011292268 [0,2,0,0,0,0|2,0,0]=4 2862 B9R0.50 CCN(CC)CCCC=O 269982a_100000724800_200011292268 [0,2,0,0,0,0|2,0,0]=4 2863 B9R0.50 CCOCCC(OC)OC 34a_100121572206_100000139399 [0,2,0,0,0,0|1,0,1]=4 2864 B9R0.50 COC(COCC=O)OC 34a_100011216393_200009817547 [0,2,0,0,0,0|2,0,0]=4 2865 B9R0.50 COC(CSCC=O)OC 62a_100000751394_200015260668 [0,2,0,0,0,0|2,0,0]=4 2866 B9R0.50 COC(CSCC=O)OC 62a_200015260668_100000751394 [0,2,0,0,0,0|2,0,0]=4 2867 B9R0.2 C#CCCOCCC(C)C 34a_100000210254_100000688953 [0,2,0,0,0,0|1,0,1]=4 2868 B9R0.2 C#CCCOCCC(C)C 34a_100011215631_100000210312 [0,2,0,0,0,0|1,0,1]=4 2869 B9R0.2 C#CCCOCCC(C)C 7a_100000210254_100000688953 [0,2,0,0,0,0|1,0,1]=4 2870 B9R0.2 C#CCOCCCC(C)C 34a_100000210247_100011214892 [0,2,0,0,0,0|1,0,1]=4 2871 B9R0.2 C#CCOCCCC(C)C 34a_100000210774_100000184674 [0,2,0,0,0,0|1,0,1]=4 2872 B9R0.2 C#CCOCCCC(C)C 7a_100000210774_100000038162 [0,2,0,0,0,0|1,0,1]=4 2873 B9R0.2 C#CCOCCNC(C)C 2230a_100000700922_100000210206 [0,2,0,0,0,0|1,0,1]=4 2874 B9R0.2 C#CCOCCNC(C)C 2230a_100138425928_100010402529 [0,2,0,0,0,0|1,0,1]=4 2875 B9R0.2 C#CCOCCNC(C)C 34a_100000224655_100000184674 [0,2,0,0,0,0|1,0,1]=4 2876 B9R0.2 C#CCOCCNC(C)C 34a_100000700922_100000210206 [0,2,0,0,0,0|1,0,1]=4 2877 B9R0.2 C#CCOCCNC(C)C 34a_100138425928_100010402529 [0,2,0,0,0,0|1,0,1]=4 2878 B9R0.2 C#CCOCCOC(C)C 34a_100000054580_100000210206 [0,2,0,0,0,0|1,0,1]=4 2879 B9R0.2 C#CCOCCOC(C)C 34a_100000210247_100000211751 [0,2,0,0,0,0|1,0,1]=4 2880 B9R0.2 C#CCOCCOC(C)C 34a_100000211219_100000184674 [0,2,0,0,0,0|1,0,1]=4 2881 B9R0.2 C#CCOCCOC(C)C 34a_100000212225_100010402529 [0,2,0,0,0,0|1,0,1]=4 2882 B9R0.2 C#CCOCCOC(C)C 7a_100000054580_100000210206 [0,2,0,0,0,0|1,0,1]=4 2883 B9R0.2 C#CCOCCOC(C)C 7a_100000211219_100000038162 [0,2,0,0,0,0|1,0,1]=4 2884 B9R0.2 C#CCOCCSC(C)C 34a_100000210247_100000730970 [0,2,0,0,0,0|1,0,1]=4 2885 B9R0.2 C#CCOCCSC(C)C 34a_200011212901_100000184674 [0,2,0,0,0,0|1,0,1]=4 2886 B9R0.2 C#CCOCCSC(C)C 62a_100000210206_100010402529 [0,2,0,0,0,0|1,0,1]=4 2887 B9R0.2 C#CCOCCSC(C)C 62a_100010402529_100000210206 [0,2,0,0,0,0|1,0,1]=4 2888 B9R0.2 C#CCOCCSC(C)C 7a_200011212901_100000038162 [0,2,0,0,0,0|1,0,1]=4 2889 B9R0.2 C/C=C/CCOCC(C)C 34a_100016278192_100000210624 [0,2,0,0,0,0|2,0,0]=4 2890 B9R0.2 C/C=C/COCCC(C)Br 34a_100009893172_100102629194 [0,2,0,0,0,0|2,0,0]=4 2891 B9R0.2 C/C=C/COCCC(C)C 34a_100000210254_100102629194 [0,2,0,0,0,0|1,0,0]=3 2892 B9R0.2 C/C=C/COCCC(C)C 34a_100016270725_100000210312 [0,2,0,0,0,0|1,0,0]=3 2893 B9R0.2 C/C=C/COCCC(C)C 7a_100000210254_100102629194 [0,2,0,0,0,0|1,0,0]=3 2894 B9R0.2 C/C=C/COCCC(C)O 34a_100016270725_100012276601 [0,2,0,0,0,0|2,0,0]=4 2895 B9R0.2 C/C=C/COCC[C@@H](C)N 34a_100000706166_100102629194 [0,2,0,0,0,0|2,0,0]=4 2896 B9R0.2 C/C=C/COCOC(C)C 34a_100016270725_100000709892 [0,2,0,0,0,0|2,0,0]=4 2897 B9R0.2 C/C=C/CSCCC(C)C 62a_100000210312_100102629194 [0,2,0,0,0,0|1,1,0]=4 2898 B9R0.2 C/C=C/CSCCC(C)C 62a_100102629194_100000210312 [0,2,0,0,0,0|1,1,0]=4 2899 B9R0.2 C/C=C/CSCOC(C)C 62a_100000709892_100102629194 [0,2,0,0,0,0|2,0,0]=4 2900 B9R0.2 C/C=C/CSCOC(C)C 62a_100102629194_100000709892 [0,2,0,0,0,0|2,0,0]=4 2901 B9R0.2 C=CCCCCNC(C)C 2230a_100000703577_100000210206 [0,2,0,0,0,0|2,0,0]=4 2902 B9R0.2 C=CCCCCNC(C)C 2230a_100138425928_100011215482 [0,2,0,0,0,0|2,0,0]=4 2903 B9R0.2 C=CCCCCNC(C)C 34a_100000703577_100000210206 [0,2,0,0,0,0|2,0,0]=4 2904 B9R0.2 C=CCCCCNC(C)C 34a_100138425928_100011215482 [0,2,0,0,0,0|2,0,0]=4 2905 B9R0.2 C=CCCCCOC(C)C 34a_100000212225_100011215482 [0,2,0,0,0,0|2,0,0]=4 2906 B9R0.2 C=CCCCCOC(C)C 34a_100000766645_100000210206 [0,2,0,0,0,0|2,0,0]=4 2907 B9R0.2 C=CCCCCOC(C)C 7a_100000766645_100000210206 [0,2,0,0,0,0|2,0,0]=4 2908 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [0,2,0,0,0,0|2,0,0]=4 2909 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [0,2,0,0,0,0|2,0,0]=4 2910 B9R0.2 C=CCCCNCC(C)C 2230a_100000210953_100011713584 [0,2,0,0,0,0|2,0,0]=4 2911 B9R0.2 C=CCCCNCC(C)C 2230a_100000700776_100000210760 [0,2,0,0,0,0|2,0,0]=4 2912 B9R0.2 C=CCCCNCC(C)C 270004a_100000700776_100000210432 [0,2,0,0,0,0|2,0,0]=4 2913 B9R0.2 C=CCCCNCC(C)C 34a_100000210953_100000757094 [0,2,0,0,0,0|2,0,0]=4 2914 B9R0.2 C=CCCCNCC(C)C 34a_100000700776_100000210624 [0,2,0,0,0,0|2,0,0]=4 2915 B9R0.2 C=CCCCOCC(C)C 34a_100000210257_100000757094 [0,2,0,0,0,0|2,0,0]=4 2916 B9R0.2 C=CCCCOCC(C)C 34a_100000758997_100000210624 [0,2,0,0,0,0|2,0,0]=4 2917 B9R0.2 C=CCCCOCC(C)C 7a_100000758997_100000210760 [0,2,0,0,0,0|2,0,0]=4 2918 B9R0.2 C=CCCCSCC(C)C 62a_100000210624_100000757094 [0,2,0,0,0,0|2,0,0]=4 2919 B9R0.2 C=CCCCSCC(C)C 62a_100011713584_100000210760 [0,2,0,0,0,0|2,0,0]=4 2920 B9R0.2 C=CCCNCCC(C)C 2230a_100015191253_100000210312 [0,2,0,0,0,0|2,0,0]=4 2921 B9R0.2 C=CCCNCCC(C)C 269862a_100015191253_100000185833 [0,2,0,0,0,0|2,0,0]=4 2922 B9R0.2 C=CCCNCOC(C)C 2230a_100015191253_100000709892 [0,2,0,0,0,0|2,0,0]=4 2923 B9R0.2 C=CCCOCCC(C)Br 34a_100009893172_100000754431 [0,2,0,0,0,0|2,0,0]=4 2924 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [0,2,0,0,0,0|1,0,0]=3 2925 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [0,2,0,0,0,0|1,0,0]=3 2926 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [0,2,0,0,0,0|1,0,0]=3 2927 B9R0.2 C=CCCOCCC(C)O 34a_100011205117_100012276601 [0,2,0,0,0,0|2,0,0]=4 2928 B9R0.2 C=CCCOCC[C@@H](C)N 34a_100000706166_100000754431 [0,2,0,0,0,0|2,0,0]=4 2929 B9R0.2 C=CCCOCOC(C)C 34a_100011205117_100000709892 [0,2,0,0,0,0|2,0,0]=4 2930 B9R0.2 C=CCCSCCC(C)C 62a_100000210312_100000754431 [0,2,0,0,0,0|1,1,0]=4 2931 B9R0.2 C=CCCSCCC(C)C 62a_100000754431_100000210312 [0,2,0,0,0,0|1,1,0]=4 2932 B9R0.2 C=CCCSCOC(C)C 62a_100000709892_100000754431 [0,2,0,0,0,0|2,0,0]=4 2933 B9R0.2 C=CCCSCOC(C)C 62a_100000754431_100000709892 [0,2,0,0,0,0|2,0,0]=4 2934 B9R0.2 C=CCNCCCC(C)C 2230a_100020586998_100011214892 [0,2,0,0,0,0|2,0,0]=4 2935 B9R0.2 C=CCNCCCC(C)C 2230a_200000737386_100000210623 [0,2,0,0,0,0|2,0,0]=4 2936 B9R0.2 C=CCNCCCC(C)C 34a_200000737386_100015514636 [0,2,0,0,0,0|2,0,0]=4 2937 B9R0.2 C=CCNCCOC(C)C 2230a_100000701111_100000210623 [0,2,0,0,0,0|2,0,0]=4 2938 B9R0.2 C=CCNCCOC(C)C 2230a_100020586998_100000211751 [0,2,0,0,0,0|2,0,0]=4 2939 B9R0.2 C=CCNCCOC(C)C 34a_100000701111_100015514636 [0,2,0,0,0,0|2,0,0]=4 2940 B9R0.2 C=CCNCCSC(C)C 2230a_100000731138_100000210623 [0,2,0,0,0,0|2,0,0]=4 2941 B9R0.2 C=CCNCCSC(C)C 2230a_100020586998_100000730970 [0,2,0,0,0,0|2,0,0]=4 2942 B9R0.2 C=CCNCCSC(C)C 34a_100000731138_100015514636 [0,2,0,0,0,0|2,0,0]=4 2943 B9R0.2 C=CCOCCC=C(C)C 34a_200000210373_100011217483 [0,2,0,0,0,0|1,0,1]=4 2944 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [0,2,0,0,0,0|1,0,0]=3 2945 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [0,2,0,0,0,0|1,0,0]=3 2946 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [0,2,0,0,0,0|1,0,0]=3 2947 B9R0.2 C=CCOCCCC(C)O 34a_200000210373_200000718107 [0,2,0,0,0,0|2,0,0]=4 2948 B9R0.2 C=CCOCCNC(C)C 34a_100000224655_100015514636 [0,2,0,0,0,0|1,0,0]=3 2949 B9R0.2 C=CCOCCOC(C)C 34a_100000037705_100000210206 [0,2,0,0,0,0|1,0,0]=3 2950 B9R0.2 C=CCOCCOC(C)C 34a_100000211219_100015514636 [0,2,0,0,0,0|1,0,0]=3 2951 B9R0.2 C=CCOCCOC(C)C 34a_200000210373_100000211751 [0,2,0,0,0,0|1,0,0]=3 2952 B9R0.2 C=CCOCCOC(C)C 7a_100000037705_100000210206 [0,2,0,0,0,0|1,0,0]=3 2953 B9R0.2 C=CCOCCOC(C)C 7a_100000211219_100015514636 [0,2,0,0,0,0|1,0,0]=3 2954 B9R0.2 C=CCOCCSC(C)C 34a_200000210373_100000730970 [0,2,0,0,0,0|1,0,0]=3 2955 B9R0.2 C=CCOCCSC(C)C 34a_200011212901_100015514636 [0,2,0,0,0,0|1,0,0]=3 2956 B9R0.2 C=CCOCCSC(C)C 7a_200011212901_100015514636 [0,2,0,0,0,0|1,0,0]=3 2957 B9R0.2 C=CCSCCCC(C)C 62a_100000210623_100011214892 [0,2,0,0,0,0|1,1,0]=4 2958 B9R0.2 C=CCSCCCC(C)C 62a_100011214892_100000210623 [0,2,0,0,0,0|1,1,0]=4 2959 B9R0.2 C=CCSCCOC(C)C 62a_100000210623_100000211751 [0,2,0,0,0,0|1,1,0]=4 2960 B9R0.2 C=CCSCCOC(C)C 62a_100000211751_100000210623 [0,2,0,0,0,0|1,1,0]=4 2961 B9R0.2 C=CCSCCSC(C)C 62a_100000210623_100000730970 [0,2,0,0,0,0|1,1,0]=4 2962 B9R0.2 C=CCSCCSC(C)C 62a_100000730970_100000210623 [0,2,0,0,0,0|1,1,0]=4 2963 B9R0.2 C=COCCCNC(C)C 2230a_100000210767_100000210206 [0,2,0,0,0,0|1,0,0]=3 2964 B9R0.2 C=COCCCNC(C)C 34a_100000210767_100000210206 [0,2,0,0,0,0|1,0,0]=3 2965 B9R0.2 C=COCCNCC(C)C 2230a_100000210953_100000039644 [0,2,0,0,0,0|1,0,0]=3 2966 B9R0.2 C=COCCNCC(C)C 34a_100000210953_100000039644 [0,2,0,0,0,0|1,0,0]=3 2967 B9R0.2 C=COCCNCC(C)O 2230a_100000210904_100000039644 [0,2,0,0,0,0|2,0,0]=4 2968 B9R0.2 C=COCCNCC(C)O 34a_100000210904_100000039644 [0,2,0,0,0,0|2,0,0]=4 2969 B9R0.2 C=COCCOCC(C)Br 34a_100012180447_100000039644 [0,2,0,0,0,0|2,0,0]=4 2970 B9R0.2 C=COCCOCC(C)C 34a_100000033082_100000210624 [0,2,0,0,0,0|1,0,0]=3 2971 B9R0.2 C=COCCOCC(C)C 34a_100000210257_100000039644 [0,2,0,0,0,0|1,0,0]=3 2972 B9R0.2 C=COCCOCC(C)F 34a_100015925927_100000039644 [0,2,0,0,0,0|2,0,0]=4 2973 B9R0.2 C=COCCOCC(C)O 34a_100000033082_100011218427 [0,2,0,0,0,0|2,0,0]=4 2974 B9R0.2 C=COCCOC[C@@H](C)Cl 34a_100016084084_100000039644 [0,2,0,0,0,0|2,0,0]=4 2975 B9R0.2 C=COCCOC[C@@H](C)N 34a_100000737577_100000039644 [0,2,0,0,0,0|2,0,0]=4 2976 B9R0.2 C=COCCOC[C@@H](C)O 34a_100000033082_100009817552 [0,2,0,0,0,0|2,0,0]=4 2977 B9R0.2 C=COCCSCC(C)C 62a_100000039644_100000210760 [0,2,0,0,0,0|1,0,0]=3 2978 B9R0.2 C=COCCSCC(C)C 62a_100000210624_100000039644 [0,2,0,0,0,0|1,0,0]=3 2979 B9R0.2 C=COCCSCC(C)O 62a_100000039644_100011218427 [0,2,0,0,0,0|2,0,0]=4 2980 B9R0.2 C=COCCSCC(C)O 62a_100011218427_100000039644 [0,2,0,0,0,0|2,0,0]=4 2981 B9R0.2 C=COCCSC[C@@H](C)O 62a_100000039644_100009817552 [0,2,0,0,0,0|2,0,0]=4 2982 B9R0.2 C=COCCSC[C@@H](C)O 62a_100009817552_100000039644 [0,2,0,0,0,0|2,0,0]=4 2983 B9R0.2 CC#CCOCCC(C)C 34a_100000210254_100000748600 [0,2,0,0,0,0|1,0,1]=4 2984 B9R0.2 CC#CCOCCC(C)C 34a_100000761923_100000210312 [0,2,0,0,0,0|1,0,1]=4 2985 B9R0.2 CC#CCOCCC(C)C 7a_100000210254_100000748600 [0,2,0,0,0,0|1,0,1]=4 2986 B9R0.2 CC(=CCCSCC=O)C 62a_100011217483_200015260668 [0,2,0,0,0,0|0,1,1]=4 2987 B9R0.2 CC(=CCCSCC=O)C 62a_200015260668_100011217483 [0,2,0,0,0,0|0,1,1]=4 2988 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,2,0,0,0,0|1,0,1]=4 2989 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,2,0,0,0,0|1,0,1]=4 2990 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [0,2,0,0,0,0|1,0,1]=4 2991 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [0,2,0,0,0,0|1,0,1]=4 2992 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [0,2,0,0,0,0|1,0,1]=4 2993 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [0,2,0,0,0,0|1,0,0]=3 2994 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [0,2,0,0,0,0|1,0,0]=3 2995 B9R0.2 CC(C)CCCOCC#N 7a_100000210774_100011215382 [0,2,0,0,0,0|1,0,1]=4 2996 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [0,2,0,0,0,0|0,0,0]=2 2997 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [0,2,0,0,0,0|0,0,0]=2 2998 B9R0.2 CC(C)CCCOCCBr 34a_100000211926_100011214892 [0,2,0,0,0,0|1,0,1]=4 2999 B9R0.2 CC(C)CCCOCCF 34a_100000210774_100011217306 [0,2,0,0,0,0|1,0,1]=4 3000 B9R0.2 CC(C)CCCOCCF 7a_100000210774_100011217306 [0,2,0,0,0,0|1,0,1]=4 3001 B9R0.2 CC(C)CCCOCCN 34a_100000210304_100011214892 [0,2,0,0,0,0|1,0,1]=4 3002 B9R0.2 CC(C)CCCOCCO 34a_100000210774_100000211926 [0,2,0,0,0,0|0,0,2]=4 3003 B9R0.2 CC(C)CCCOCCO 7a_100000210774_100000211926 [0,2,0,0,0,0|0,0,2]=4 3004 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [0,2,0,0,0,0|0,1,0]=3 3005 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [0,2,0,0,0,0|0,1,0]=3 3006 B9R0.2 CC(C)CCOCCC#N 7a_100000210254_100000184422 [0,2,0,0,0,0|1,0,1]=4 3007 B9R0.2 CC(C)CCOCCCBr 34a_100011217188_100000210312 [0,2,0,0,0,0|1,0,1]=4 3008 B9R0.2 CC(C)CCOCCCCl 34a_100000230001_100000210312 [0,2,0,0,0,0|1,0,1]=4 3009 B9R0.2 CC(C)CCOCCCF 34a_100000210254_100011934791 [0,2,0,0,0,0|1,0,1]=4 3010 B9R0.2 CC(C)CCOCCCF 34a_100000759539_100000210312 [0,2,0,0,0,0|1,0,1]=4 3011 B9R0.2 CC(C)CCOCCCF 7a_100000210254_100011934791 [0,2,0,0,0,0|1,0,1]=4 3012 B9R0.2 CC(C)CCOCCCN 34a_100000182051_100000210312 [0,2,0,0,0,0|1,0,1]=4 3013 B9R0.2 CC(C)CCOCCCO 34a_100000210254_100000230001 [0,2,0,0,0,0|0,0,2]=4 3014 B9R0.2 CC(C)CCOCCCO 7a_100000210254_100011215043 [0,2,0,0,0,0|0,0,2]=4 3015 B9R0.2 CC(C)CCOCCON 34a_100000700252_100000210312 [0,2,0,0,0,0|0,0,2]=4 3016 B9R0.2 CC(C)CNCCCC=O 2230a_100000210953_200011292268 [0,2,0,0,0,0|1,0,0]=3 3017 B9R0.2 CC(C)CNCCOCF 34a_100015185251_100015361967 [0,2,0,0,0,0|1,0,1]=4 3018 B9R0.2 CC(C)COCCOCF 34a_100000703358_100015361967 [0,2,0,0,0,0|1,0,1]=4 3019 B9R0.2 CC(C)COCCOCF 7a_100000703358_100015361967 [0,2,0,0,0,0|1,0,1]=4 3020 B9R0.2 CC(C)CSCCCC=O 62a_100000210624_200011292268 [0,2,0,0,0,0|1,0,0]=3 3021 B9R0.2 CC(C)CSCCCC=O 62a_200011292268_100000210760 [0,2,0,0,0,0|1,0,0]=3 3022 B9R0.2 CC(C)CSCCOCF 34a_200000230437_100015361967 [0,2,0,0,0,0|1,0,1]=4 3023 B9R0.2 CC(C)CSCCOCF 7a_200000230437_100015361967 [0,2,0,0,0,0|1,0,1]=4 3024 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [0,2,0,0,0,0|1,0,0]=3 3025 B9R0.2 CC(C)NCCCOCF 34a_100000182298_100015361967 [0,2,0,0,0,0|1,0,1]=4 3026 B9R0.2 CC(C)NCCOCC#N 2230a_100138425928_200000047693 [0,2,0,0,0,0|1,0,1]=4 3027 B9R0.2 CC(C)NCCOCC=O 34a_100000224655_200009817547 [0,2,0,0,0,0|0,0,0]=2 3028 B9R0.2 CC(C)NCCOCCF 34a_100000224655_100011217306 [0,2,0,0,0,0|1,0,1]=4 3029 B9R0.2 CC(C)NCCOCCO 2230a_100000211614_100000210206 [0,2,0,0,0,0|0,0,2]=4 3030 B9R0.2 CC(C)NCCOCCO 2230a_100138425928_100011215305 [0,2,0,0,0,0|0,0,2]=4 3031 B9R0.2 CC(C)NCCOCCO 34a_100000211614_100000210206 [0,2,0,0,0,0|0,0,2]=4 3032 B9R0.2 CC(C)NCCOCCO 34a_100000224655_100000211926 [0,2,0,0,0,0|0,0,2]=4 3033 B9R0.2 CC(C)NCCOCCO 34a_100138425928_100000692535 [0,2,0,0,0,0|0,0,2]=4 3034 B9R0.2 CC(C)OCCNCC=O 2230a_100000701111_200015260668 [0,2,0,0,0,0|1,0,0]=3 3035 B9R0.2 CC(C)OCCNCC=O 34a_100000701111_200009817547 [0,2,0,0,0,0|1,0,0]=3 3036 B9R0.2 CC(C)OCCOCC#N 7a_100000211219_100011215382 [0,2,0,0,0,0|1,0,1]=4 3037 B9R0.2 CC(C)OCCOCC=O 34a_100000211219_200009817547 [0,2,0,0,0,0|0,0,0]=2 3038 B9R0.2 CC(C)OCCOCC=O 7a_100000211219_200015260668 [0,2,0,0,0,0|0,0,0]=2 3039 B9R0.2 CC(C)OCCOCCBr 34a_100000211926_100000211751 [0,2,0,0,0,0|1,0,1]=4 3040 B9R0.2 CC(C)OCCOCCBr 34a_100000692535_100000210206 [0,2,0,0,0,0|1,0,1]=4 3041 B9R0.2 CC(C)OCCOCCBr 7a_100000692535_100000210206 [0,2,0,0,0,0|1,0,1]=4 3042 B9R0.2 CC(C)OCCOCCCl 34a_100011215305_100000210206 [0,2,0,0,0,0|1,0,1]=4 3043 B9R0.2 CC(C)OCCOCCCl 7a_100011215305_100000210206 [0,2,0,0,0,0|1,0,1]=4 3044 B9R0.2 CC(C)OCCOCCF 34a_100000211219_100011217306 [0,2,0,0,0,0|1,0,1]=4 3045 B9R0.2 CC(C)OCCOCCF 34a_200015357709_100000210206 [0,2,0,0,0,0|1,0,1]=4 3046 B9R0.2 CC(C)OCCOCCF 7a_100000211219_100011217306 [0,2,0,0,0,0|1,0,1]=4 3047 B9R0.2 CC(C)OCCOCCF 7a_200015357709_100000210206 [0,2,0,0,0,0|1,0,1]=4 3048 B9R0.2 CC(C)OCCOCCI 34a_100012149058_100000210206 [0,2,0,0,0,0|1,0,1]=4 3049 B9R0.2 CC(C)OCCOCCI 7a_100012149058_100000210206 [0,2,0,0,0,0|1,0,1]=4 3050 B9R0.2 CC(C)OCCOCCN 34a_100000210304_100000211751 [0,2,0,0,0,0|1,0,1]=4 3051 B9R0.2 CC(C)OCCOCCN 34a_100000211614_100000210206 [0,2,0,0,0,0|1,0,1]=4 3052 B9R0.2 CC(C)OCCOCCO 34a_100000211219_100000211926 [0,2,0,0,0,0|0,0,2]=4 3053 B9R0.2 CC(C)OCCOCCO 34a_100000212225_100000692535 [0,2,0,0,0,0|0,0,2]=4 3054 B9R0.2 CC(C)OCCOCCO 7a_100000211219_100000211926 [0,2,0,0,0,0|0,0,2]=4 3055 B9R0.2 CC(C)OCCSCC=O 62a_100000211751_200015260668 [0,2,0,0,0,0|0,1,0]=3 3056 B9R0.2 CC(C)OCCSCC=O 62a_200015260668_100000211751 [0,2,0,0,0,0|0,1,0]=3 3057 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [0,2,0,0,0,0|1,0,0]=3 3058 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [0,2,0,0,0,0|1,0,0]=3 3059 B9R0.2 CC(C)SCCNCC=O 2230a_100000731138_200015260668 [0,2,0,0,0,0|1,0,0]=3 3060 B9R0.2 CC(C)SCCNCC=O 34a_100000731138_200009817547 [0,2,0,0,0,0|1,0,0]=3 3061 B9R0.2 CC(C)SCCOCC#N 62a_100000210206_200000047693 [0,2,0,0,0,0|1,0,1]=4 3062 B9R0.2 CC(C)SCCOCC#N 62a_200000047693_100000210206 [0,2,0,0,0,0|1,0,1]=4 3063 B9R0.2 CC(C)SCCOCC#N 7a_200011212901_100011215382 [0,2,0,0,0,0|1,0,1]=4 3064 B9R0.2 CC(C)SCCOCC=O 34a_200011212901_200009817547 [0,2,0,0,0,0|0,0,0]=2 3065 B9R0.2 CC(C)SCCOCC=O 7a_200011212901_200015260668 [0,2,0,0,0,0|0,0,0]=2 3066 B9R0.2 CC(C)SCCOCCBr 34a_100000211926_100000730970 [0,2,0,0,0,0|1,0,1]=4 3067 B9R0.2 CC(C)SCCOCCF 34a_200011212901_100011217306 [0,2,0,0,0,0|1,0,1]=4 3068 B9R0.2 CC(C)SCCOCCF 7a_200011212901_100011217306 [0,2,0,0,0,0|1,0,1]=4 3069 B9R0.2 CC(C)SCCOCCN 34a_100000210304_100000730970 [0,2,0,0,0,0|1,0,1]=4 3070 B9R0.2 CC(C)SCCOCCO 34a_200011212901_100000211926 [0,2,0,0,0,0|0,0,2]=4 3071 B9R0.2 CC(C)SCCOCCO 62a_100000210206_100011215305 [0,2,0,0,0,0|0,0,2]=4 3072 B9R0.2 CC(C)SCCOCCO 62a_100011215305_100000210206 [0,2,0,0,0,0|0,0,2]=4 3073 B9R0.2 CC(C)SCCOCCO 7a_200011212901_100000211926 [0,2,0,0,0,0|0,0,2]=4 3074 B9R0.2 CC(C)SCCSCC=O 62a_100000730970_200015260668 [0,2,0,0,0,0|0,1,0]=3 3075 B9R0.2 CC(C)SCCSCC=O 62a_200015260668_100000730970 [0,2,0,0,0,0|0,1,0]=3 3076 B9R0.2 CC(O)CCCSCC=O 62a_200000718107_200015260668 [0,2,0,0,0,0|1,1,0]=4 3077 B9R0.2 CC(O)CCCSCC=O 62a_200015260668_200000718107 [0,2,0,0,0,0|1,1,0]=4 3078 B9R0.2 CC(O)CNCCCC=O 2230a_100000210904_200011292268 [0,2,0,0,0,0|2,0,0]=4 3079 B9R0.2 CC(O)CSCCCC=O 62a_100011218427_200011292268 [0,2,0,0,0,0|2,0,0]=4 3080 B9R0.2 CC(O)CSCCCC=O 62a_200011292268_100011218427 [0,2,0,0,0,0|2,0,0]=4 3081 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [0,2,0,0,0,0|2,0,0]=4 3082 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [0,2,0,0,0,0|2,0,0]=4 3083 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [0,2,0,0,0,0|2,0,0]=4 3084 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [0,2,0,0,0,0|2,0,0]=4 3085 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [0,2,0,0,0,0|2,0,0]=4 3086 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [0,2,0,0,0,0|2,0,0]=4 3087 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [0,2,0,0,0,0|2,0,0]=4 3088 B9R0.2 CC/C=C\CNCC(C)C 2230a_100000210953_100103147603 [0,2,0,0,0,0|2,0,0]=4 3089 B9R0.2 CC/C=C\CNCC(C)C 34a_100000210953_100103147603 [0,2,0,0,0,0|2,0,0]=4 3090 B9R0.2 CC/C=C\COCC(C)C 34a_100000210257_100103147603 [0,2,0,0,0,0|2,0,0]=4 3091 B9R0.2 CC/C=C\COCC(C)C 34a_100016268518_100000210624 [0,2,0,0,0,0|2,0,0]=4 3092 B9R0.2 CC/C=C\CSCC(C)C 62a_100000210624_100103147603 [0,2,0,0,0,0|2,0,0]=4 3093 B9R0.2 CC/C=C\CSCC(C)C 62a_100103147603_100000210760 [0,2,0,0,0,0|2,0,0]=4 3094 B9R0.2 CC=C=CCCOC(C)C 34a_100011020354_100000210206 [0,2,0,0,0,0|2,0,0]=4 3095 B9R0.2 CC=CCCCOC(C)C 34a_100020645299_100000210206 [0,2,0,0,0,0|2,0,0]=4 3096 B9R0.2 CC=CCOCCC(C)Br 34a_100009893172_100000070051 [0,2,0,0,0,0|2,0,0]=4 3097 B9R0.2 CC=CCOCCC(C)C 34a_100000210254_100000070051 [0,2,0,0,0,0|1,0,0]=3 3098 B9R0.2 CC=CCOCCC(C)C 7a_100000210254_100000070051 [0,2,0,0,0,0|1,0,0]=3 3099 B9R0.2 CC=CCOCC[C@@H](C)N 34a_100000706166_100000070051 [0,2,0,0,0,0|2,0,0]=4 3100 B9R0.2 CC=CCSCCC(C)C 62a_100000070051_100000210312 [0,2,0,0,0,0|1,1,0]=4 3101 B9R0.2 CC=CCSCCC(C)C 62a_100000210312_100000070051 [0,2,0,0,0,0|1,1,0]=4 3102 B9R0.2 CC=CCSCOC(C)C 62a_100000070051_100000709892 [0,2,0,0,0,0|2,0,0]=4 3103 B9R0.2 CC=CCSCOC(C)C 62a_100000709892_100000070051 [0,2,0,0,0,0|2,0,0]=4 3104 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [0,2,0,0,0,0|1,0,1]=4 3105 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [0,2,0,0,0,0|1,0,1]=4 3106 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [0,2,0,0,0,0|1,0,1]=4 3107 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [0,2,0,0,0,0|1,0,1]=4 3108 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [0,2,0,0,0,0|1,0,1]=4 3109 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [0,2,0,0,0,0|1,0,1]=4 3110 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [0,2,0,0,0,0|1,0,1]=4 3111 B9R0.2 CCCOCCNC(C)C 2230a_100138425928_100011215938 [0,2,0,0,0,0|1,0,1]=4 3112 B9R0.2 CCCOCCNC(C)C 2230a_100161115042_100000210206 [0,2,0,0,0,0|1,0,1]=4 3113 B9R0.2 CCCOCCNC(C)C 34a_100000224655_100000210303 [0,2,0,0,0,0|1,0,1]=4 3114 B9R0.2 CCCOCCNC(C)C 34a_100138425928_100011215938 [0,2,0,0,0,0|1,0,1]=4 3115 B9R0.2 CCCOCCNC(C)C 34a_100161115042_100000210206 [0,2,0,0,0,0|1,0,1]=4 3116 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [0,2,0,0,0,0|1,0,1]=4 3117 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [0,2,0,0,0,0|1,0,1]=4 3118 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [0,2,0,0,0,0|1,0,1]=4 3119 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [0,2,0,0,0,0|1,0,1]=4 3120 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [0,2,0,0,0,0|1,0,1]=4 3121 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [0,2,0,0,0,0|1,0,1]=4 3122 B9R0.2 CCCOCCSC(C)C 34a_100000210258_100000730970 [0,2,0,0,0,0|1,0,1]=4 3123 B9R0.2 CCCOCCSC(C)C 34a_200011212901_100000210303 [0,2,0,0,0,0|1,0,1]=4 3124 B9R0.2 CCCOCCSC(C)C 62a_100000210206_100011215938 [0,2,0,0,0,0|1,0,1]=4 3125 B9R0.2 CCCOCCSC(C)C 62a_100011215938_100000210206 [0,2,0,0,0,0|1,0,1]=4 3126 B9R0.2 CCCOCCSC(C)C 7a_200011212901_100000210303 [0,2,0,0,0,0|1,0,1]=4 3127 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [0,2,0,0,0,0|1,0,1]=4 3128 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [0,2,0,0,0,0|1,0,1]=4 3129 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [0,2,0,0,0,0|1,0,1]=4 3130 B9R0.2 CCOCCCNC(C)C 2230a_100000210961_100000210206 [0,2,0,0,0,0|1,0,1]=4 3131 B9R0.2 CCOCCCNC(C)C 2230a_100138425928_100012232248 [0,2,0,0,0,0|1,0,1]=4 3132 B9R0.2 CCOCCCNC(C)C 34a_100000182298_100000210202 [0,2,0,0,0,0|1,0,1]=4 3133 B9R0.2 CCOCCCNC(C)C 34a_100000210961_100000210206 [0,2,0,0,0,0|1,0,1]=4 3134 B9R0.2 CCOCCCNC(C)C 34a_100138425928_100012232248 [0,2,0,0,0,0|1,0,1]=4 3135 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [0,2,0,0,0,0|1,0,1]=4 3136 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [0,2,0,0,0,0|1,0,1]=4 3137 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [0,2,0,0,0,0|1,0,1]=4 3138 B9R0.2 CCOCCCSC(C)C 62a_100000210206_100012232248 [0,2,0,0,0,0|1,0,1]=4 3139 B9R0.2 CCOCCCSC(C)C 62a_100012232248_100000210206 [0,2,0,0,0,0|1,0,1]=4 3140 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [0,2,0,0,0,0|1,0,1]=4 3141 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [0,2,0,0,0,0|1,0,1]=4 3142 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [0,2,0,0,0,0|1,0,1]=4 3143 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [0,2,0,0,0,0|1,0,1]=4 3144 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [0,2,0,0,0,0|1,0,1]=4 3145 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [0,2,0,0,0,0|1,0,1]=4 3146 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [0,2,0,0,0,0|1,0,1]=4 3147 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [0,2,0,0,0,0|1,0,1]=4 3148 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [0,2,0,0,0,0|1,0,1]=4 3149 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [0,2,0,0,0,0|1,0,1]=4 3150 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [0,2,0,0,0,0|1,0,1]=4 3151 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [0,2,0,0,0,0|1,0,1]=4 3152 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [0,2,0,0,0,0|1,0,1]=4 3153 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [0,2,0,0,0,0|1,0,1]=4 3154 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [0,2,0,0,0,0|1,0,1]=4 3155 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [0,2,0,0,0,0|1,0,1]=4 3156 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [0,2,0,0,0,0|1,0,1]=4 3157 B9R0.2 CCOCSCOC(C)C 62a_100000709892_100000739092 [0,2,0,0,0,0|1,0,1]=4 3158 B9R0.2 CCOCSCOC(C)C 62a_100000739092_100000709892 [0,2,0,0,0,0|1,0,1]=4 3159 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [0,2,0,0,0,0|2,0,0]=4 3160 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [0,2,0,0,0,0|2,0,0]=4 3161 B9R0.2 CN(C)CCCSCC=O 62a_200015260668_100000757444 [0,2,0,0,0,0|1,1,0]=4 3162 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [0,2,0,0,0,0|0,0,2]=4 3163 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [0,2,0,0,0,0|0,0,2]=4 3164 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [0,2,0,0,0,0|0,0,2]=4 3165 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [0,2,0,0,0,0|0,1,1]=4 3166 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [0,2,0,0,0,0|0,1,1]=4 3167 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [0,2,0,0,0,0|0,1,1]=4 3168 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [0,2,0,0,0,0|0,1,1]=4 3169 B9R0.2 CSCOCCCC(C)C 34a_100000210774_100011218213 [0,2,0,0,0,0|0,1,1]=4 3170 B9R0.2 CSCOCCNC(C)C 34a_100000224655_100011218213 [0,2,0,0,0,0|0,1,1]=4 3171 B9R0.2 CSCOCCOC(C)C 34a_100000211219_100011218213 [0,2,0,0,0,0|0,1,1]=4 3172 B9R0.2 CSCOCCSC(C)C 34a_200011212901_100011218213 [0,2,0,0,0,0|0,1,1]=4 3173 B9R0.2 C[C@@H](O)CSCCCC=O 62a_100009817552_200011292268 [0,2,0,0,0,0|2,0,0]=4 3174 B9R0.2 C[C@@H](O)CSCCCC=O 62a_200011292268_100009817552 [0,2,0,0,0,0|2,0,0]=4 3175 B9R0.38 C#CCOCCC(C)(C)C 34a_100000210247_100000755188 [0,2,0,0,0,0|1,0,1]=4 3176 B9R0.38 C#CCOCCC(C)(C)C 7a_100000765024_100000038162 [0,2,0,0,0,0|1,0,1]=4 3177 B9R0.38 C#CCOCCC(C)(C)O 34a_100000210247_100000702414 [0,2,0,0,0,0|1,0,1]=4 3178 B9R0.38 C/C=C/CCOC(C)(C)C 34a_100016278192_100000210625 [0,2,0,0,0,0|2,0,0]=4 3179 B9R0.38 C/C=C/COCC(C)(C)C 34a_100016270725_100011219605 [0,2,0,0,0,0|2,0,0]=4 3180 B9R0.38 C/C=C/COCC(C)(C)F 34a_100000716592_100102629194 [0,2,0,0,0,0|2,0,0]=4 3181 B9R0.38 C/C=C/COCC(C)(C)F 34a_100016270725_100011997219 [0,2,0,0,0,0|2,0,0]=4 3182 B9R0.38 C/C=C/COCC(C)(C)O 34a_100016270725_100000764493 [0,2,0,0,0,0|2,0,0]=4 3183 B9R0.38 C/C=C/CSCC(C)(C)C 62a_100011219605_100102629194 [0,2,0,0,0,0|2,0,0]=4 3184 B9R0.38 C/C=C/CSCC(C)(C)C 62a_100102629194_100011219605 [0,2,0,0,0,0|2,0,0]=4 3185 B9R0.38 C/C=C/CSCC(C)(C)F 62a_100011997219_100102629194 [0,2,0,0,0,0|2,0,0]=4 3186 B9R0.38 C/C=C/CSCC(C)(C)F 62a_100102629194_100011997219 [0,2,0,0,0,0|2,0,0]=4 3187 B9R0.38 C/C=C/CSCC(C)(C)O 62a_100000764493_100102629194 [0,2,0,0,0,0|2,0,0]=4 3188 B9R0.38 C/C=C/CSCC(C)(C)O 62a_100102629194_100000764493 [0,2,0,0,0,0|2,0,0]=4 3189 B9R0.38 C=CCCCNC(C)(C)C 2230a_100000715429_100011713584 [0,2,0,0,0,0|2,0,0]=4 3190 B9R0.38 C=CCCCNC(C)(C)C 34a_100000700776_100000210625 [0,2,0,0,0,0|2,0,0]=4 3191 B9R0.38 C=CCCCOC(C)(C)C 34a_100000758997_100000210625 [0,2,0,0,0,0|2,0,0]=4 3192 B9R0.38 C=CCCCOC(C)(C)C 34a_100015890283_100000757094 [0,2,0,0,0,0|2,0,0]=4 3193 B9R0.38 C=CCCCOC(C)(C)C 7a_100015890283_100000757094 [0,2,0,0,0,0|2,0,0]=4 3194 B9R0.38 C=CCCCSC(C)(C)C 62a_100000211941_100000757094 [0,2,0,0,0,0|2,0,0]=4 3195 B9R0.38 C=CCCCSC(C)(C)C 62a_100011713584_100000211941 [0,2,0,0,0,0|2,0,0]=4 3196 B9R0.38 C=CCCNCC(C)(C)C 2230a_100000743828_100000754431 [0,2,0,0,0,0|2,0,0]=4 3197 B9R0.38 C=CCCNCC(C)(C)C 270004a_100015191253_100011204126 [0,2,0,0,0,0|2,0,0]=4 3198 B9R0.38 C=CCCNCC(C)(C)F 2230a_100020643315_100000754431 [0,2,0,0,0,0|2,0,0]=4 3199 B9R0.38 C=CCCNCC(C)(C)O 2230a_100000751335_100000754431 [0,2,0,0,0,0|2,0,0]=4 3200 B9R0.38 C=CCCOCC(C)(C)C 34a_100011205117_100011219605 [0,2,0,0,0,0|2,0,0]=4 3201 B9R0.38 C=CCCOCC(C)(C)F 34a_100000716592_100000754431 [0,2,0,0,0,0|2,0,0]=4 3202 B9R0.38 C=CCCOCC(C)(C)F 34a_100011205117_100011997219 [0,2,0,0,0,0|2,0,0]=4 3203 B9R0.38 C=CCCOCC(C)(C)O 34a_100011205117_100000764493 [0,2,0,0,0,0|2,0,0]=4 3204 B9R0.38 C=CCCSCC(C)(C)C 62a_100000754431_100011219605 [0,2,0,0,0,0|2,0,0]=4 3205 B9R0.38 C=CCCSCC(C)(C)C 62a_100011219605_100000754431 [0,2,0,0,0,0|2,0,0]=4 3206 B9R0.38 C=CCCSCC(C)(C)F 62a_100000754431_100011997219 [0,2,0,0,0,0|2,0,0]=4 3207 B9R0.38 C=CCCSCC(C)(C)F 62a_100011997219_100000754431 [0,2,0,0,0,0|2,0,0]=4 3208 B9R0.38 C=CCCSCC(C)(C)O 62a_100000754431_100000764493 [0,2,0,0,0,0|2,0,0]=4 3209 B9R0.38 C=CCCSCC(C)(C)O 62a_100000764493_100000754431 [0,2,0,0,0,0|2,0,0]=4 3210 B9R0.38 C=CCNCCC(C)(C)C 2230a_100000738805_100000210623 [0,2,0,0,0,0|2,0,0]=4 3211 B9R0.38 C=CCNCCC(C)(C)C 2230a_100020586998_100000755188 [0,2,0,0,0,0|2,0,0]=4 3212 B9R0.38 C=CCNCCC(C)(C)F 2230a_100016253952_100000210623 [0,2,0,0,0,0|2,0,0]=4 3213 B9R0.38 C=CCNCCC(C)(C)O 2230a_100020586998_100000702414 [0,2,0,0,0,0|2,0,0]=4 3214 B9R0.38 C=CCOCCC(C)(C)C 34a_200000210373_100000755188 [0,2,0,0,0,0|1,0,0]=3 3215 B9R0.38 C=CCOCCC(C)(C)C 7a_100000765024_100015514636 [0,2,0,0,0,0|1,0,0]=3 3216 B9R0.38 C=CCOCCC(C)(C)O 34a_200000210373_100000702414 [0,2,0,0,0,0|1,0,0]=3 3217 B9R0.38 C=CCOCC[N+](C)(C)C 34a_200000210373_100000085578 [0,2,0,0,0,0|2,0,0]=4 3218 B9R0.38 C=CCOCC[N+](C)(C)C 7a_200020618287_100015514636 [0,2,0,0,0,0|2,0,0]=4 3219 B9R0.38 C=CCOCC[Si](C)(C)C 34a_200000210373_200000733723 [0,2,0,0,0,0|1,1,0]=4 3220 B9R0.38 C=CCOCC[Si](C)(C)C 7a_100000039746_100015514636 [0,2,0,0,0,0|1,1,0]=4 3221 B9R0.38 C=CCSCCC(C)(C)C 62a_100000210623_100000755188 [0,2,0,0,0,0|1,1,0]=4 3222 B9R0.38 C=CCSCCC(C)(C)C 62a_100000755188_100000210623 [0,2,0,0,0,0|1,1,0]=4 3223 B9R0.38 C=CCSCCC(C)(C)O 62a_100000210623_100000702414 [0,2,0,0,0,0|1,1,0]=4 3224 B9R0.38 C=CCSCCC(C)(C)O 62a_100000702414_100000210623 [0,2,0,0,0,0|1,1,0]=4 3225 B9R0.38 C=COCCNC(C)(C)C 2230a_100000715429_100000039644 [0,2,0,0,0,0|1,0,0]=3 3226 B9R0.38 C=COCCOC(C)(C)C 34a_100000033082_100000210625 [0,2,0,0,0,0|1,0,0]=3 3227 B9R0.38 C=COCCOC(C)(C)C 34a_100015890283_100000039644 [0,2,0,0,0,0|1,0,0]=3 3228 B9R0.38 C=COCCOC(C)(C)C 7a_100015890283_100000039644 [0,2,0,0,0,0|1,0,0]=3 3229 B9R0.38 C=COCCSC(C)(C)C 62a_100000039644_100000211941 [0,2,0,0,0,0|1,0,0]=3 3230 B9R0.38 C=COCCSC(C)(C)C 62a_100000211941_100000039644 [0,2,0,0,0,0|1,0,0]=3 3231 B9R0.38 CC(C)(C)CCNCC=O 2230a_100000738805_200015260668 [0,2,0,0,0,0|1,0,0]=3 3232 B9R0.38 CC(C)(C)CCOCC#N 7a_100000765024_100011215382 [0,2,0,0,0,0|1,0,1]=4 3233 B9R0.38 CC(C)(C)CCOCC=O 7a_100000765024_200015260668 [0,2,0,0,0,0|0,0,0]=2 3234 B9R0.38 CC(C)(C)CCOCCBr 34a_100000211926_100000755188 [0,2,0,0,0,0|1,0,1]=4 3235 B9R0.38 CC(C)(C)CCOCCF 7a_100000765024_100011217306 [0,2,0,0,0,0|1,0,1]=4 3236 B9R0.38 CC(C)(C)CCOCCN 34a_100000210304_100000755188 [0,2,0,0,0,0|1,0,1]=4 3237 B9R0.38 CC(C)(C)CCOCCO 7a_100000765024_100000211926 [0,2,0,0,0,0|0,0,2]=4 3238 B9R0.38 CC(C)(C)CCSCC=O 62a_100000755188_200015260668 [0,2,0,0,0,0|0,1,0]=3 3239 B9R0.38 CC(C)(C)CCSCC=O 62a_200015260668_100000755188 [0,2,0,0,0,0|0,1,0]=3 3240 B9R0.38 CC(C)(C)NCCCC=O 2230a_100000715429_200011292268 [0,2,0,0,0,0|1,0,0]=3 3241 B9R0.38 CC(C)(C)OCCCC=O 7a_100015890283_200011292268 [0,2,0,0,0,0|1,0,0]=3 3242 B9R0.38 CC(C)(C)OCCOCF 34a_100000693234_100015361967 [0,2,0,0,0,0|1,0,1]=4 3243 B9R0.38 CC(C)(C)OCCOCF 7a_100000693234_100015361967 [0,2,0,0,0,0|1,0,1]=4 3244 B9R0.38 CC(C)(C)SCCCC=O 62a_100000211941_200011292268 [0,2,0,0,0,0|1,0,0]=3 3245 B9R0.38 CC(C)(C)SCCCC=O 62a_200011292268_100000211941 [0,2,0,0,0,0|1,0,0]=3 3246 B9R0.38 CC(C)(F)CCNCC=O 2230a_100016253952_200015260668 [0,2,0,0,0,0|1,0,0]=3 3247 B9R0.38 CC(C)(O)CCOCCBr 34a_100000211926_100000702414 [0,2,0,0,0,0|1,0,1]=4 3248 B9R0.38 CC(C)(O)CCOCCN 34a_100000210304_100000702414 [0,2,0,0,0,0|1,0,1]=4 3249 B9R0.38 CC(C)(O)CCSCC=O 62a_100000702414_200015260668 [0,2,0,0,0,0|0,1,0]=3 3250 B9R0.38 CC(C)(O)CCSCC=O 62a_200015260668_100000702414 [0,2,0,0,0,0|0,1,0]=3 3251 B9R0.38 CC=CCNCC(C)(C)C 2230a_100000743828_100000070051 [0,2,0,0,0,0|2,0,0]=4 3252 B9R0.38 CC=CCNCC(C)(C)F 2230a_100020643315_100000070051 [0,2,0,0,0,0|2,0,0]=4 3253 B9R0.38 CC=CCNCC(C)(C)O 2230a_100000751335_100000070051 [0,2,0,0,0,0|2,0,0]=4 3254 B9R0.38 CC=CCOCC(C)(C)F 34a_100000716592_100000070051 [0,2,0,0,0,0|2,0,0]=4 3255 B9R0.38 CC=CCSCC(C)(C)C 62a_100000070051_100011219605 [0,2,0,0,0,0|2,0,0]=4 3256 B9R0.38 CC=CCSCC(C)(C)C 62a_100011219605_100000070051 [0,2,0,0,0,0|2,0,0]=4 3257 B9R0.38 CC=CCSCC(C)(C)F 62a_100000070051_100011997219 [0,2,0,0,0,0|2,0,0]=4 3258 B9R0.38 CC=CCSCC(C)(C)F 62a_100011997219_100000070051 [0,2,0,0,0,0|2,0,0]=4 3259 B9R0.38 CC=CCSCC(C)(C)O 62a_100000070051_100000764493 [0,2,0,0,0,0|2,0,0]=4 3260 B9R0.38 CC=CCSCC(C)(C)O 62a_100000764493_100000070051 [0,2,0,0,0,0|2,0,0]=4 3261 B9R0.38 CCCOCCC(C)(C)C 34a_100000210258_100000755188 [0,2,0,0,0,0|1,0,1]=4 3262 B9R0.38 CCCOCCC(C)(C)C 7a_100000765024_100000210303 [0,2,0,0,0,0|1,0,1]=4 3263 B9R0.38 CCCOCCC(C)(C)O 34a_100000210258_100000702414 [0,2,0,0,0,0|1,0,1]=4 3264 B9R0.38 CCOCCCC(C)(C)O 34a_100121572206_100009888830 [0,2,0,0,0,0|1,0,1]=4 3265 B9R0.38 CCOCCNC(C)(C)C 2230a_100000715429_100011215890 [0,2,0,0,0,0|1,0,1]=4 3266 B9R0.38 CCOCCNC(C)(C)C 34a_102516460346_100000210625 [0,2,0,0,0,0|1,0,1]=4 3267 B9R0.38 CCOCCOC(C)(C)C 34a_100000210136_100000210625 [0,2,0,0,0,0|1,0,1]=4 3268 B9R0.38 CCOCCOC(C)(C)C 34a_100000693234_100000210202 [0,2,0,0,0,0|1,0,1]=4 3269 B9R0.38 CCOCCOC(C)(C)C 34a_100015890283_100000210147 [0,2,0,0,0,0|1,0,1]=4 3270 B9R0.38 CCOCCOC(C)(C)C 7a_100000693234_100000210202 [0,2,0,0,0,0|1,0,1]=4 3271 B9R0.38 CCOCCOC(C)(C)C 7a_100015890283_100011215890 [0,2,0,0,0,0|1,0,1]=4 3272 B9R0.38 CCOCCSC(C)(C)C 62a_100000210147_100000211941 [0,2,0,0,0,0|1,0,1]=4 3273 B9R0.38 CCOCCSC(C)(C)C 62a_100000211941_100011215890 [0,2,0,0,0,0|1,0,1]=4 3274 B9R0.38 CCOCSCC(C)(C)C 62a_100000739092_100011219605 [0,2,0,0,0,0|1,0,1]=4 3275 B9R0.38 CCOCSCC(C)(C)C 62a_100011219605_100000739092 [0,2,0,0,0,0|1,0,1]=4 3276 B9R0.38 CCOCSCC(C)(C)F 62a_100000739092_100011997219 [0,2,0,0,0,0|1,0,1]=4 3277 B9R0.38 CCOCSCC(C)(C)F 62a_100011997219_100000739092 [0,2,0,0,0,0|1,0,1]=4 3278 B9R0.38 CCOCSCC(C)(C)O 62a_100000739092_100000764493 [0,2,0,0,0,0|1,0,1]=4 3279 B9R0.38 CCOCSCC(C)(C)O 62a_100000764493_100000739092 [0,2,0,0,0,0|1,0,1]=4 3280 B9R0.38 CS(=O)(=O)CCOCC=O 34a_100000211924_200009817547 [0,2,0,0,0,0|2,0,0]=4 3281 B9R0.38 CS(=O)(=O)CCOCC=O 7a_100000211924_200015260668 [0,2,0,0,0,0|2,0,0]=4 3282 B9R0.38 C[N+](C)(C)CCOCC=O 7a_200020618287_200015260668 [0,2,0,0,0,0|1,0,0]=3 3283 B9R0.38 C[N+](C)(C)CCSCC=O 62a_100000085578_200015260668 [0,2,0,0,0,0|1,1,0]=4 3284 B9R0.38 C[N+](C)(C)CCSCC=O 62a_200015260668_100000085578 [0,2,0,0,0,0|1,1,0]=4 3285 B9R0.38 C[Si](C)(C)CCOCC=O 7a_100000039746_200015260668 [0,2,0,0,0,0|0,1,0]=3 3286 B9R0.38 C[Si](C)(C)CCSCC=O 62a_200000733723_200015260668 [0,2,0,0,0,0|0,2,0]=4 3287 B9R0.38 C[Si](C)(C)CCSCC=O 62a_200015260668_200000733723 [0,2,0,0,0,0|0,2,0]=4 3288 B9R0.38 O=CCOCCC(F)(F)F 34a_100000752437_200009817547 [0,2,0,0,0,0|2,0,0]=4 3289 B9R0.48 C/C=C/C(C)OCC(C)C 34a_200102604097_100000210624 [0,2,0,0,0,0|2,0,0]=4 3290 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [0,2,0,0,0,0|2,0,0]=4 3291 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [0,2,0,0,0,0|2,0,0]=4 3292 B9R0.48 C=CCC(C)COC(C)C 34a_100009832082_100000210206 [0,2,0,0,0,0|2,0,0]=4 3293 B9R0.48 C=CCC(C)COC(C)C 7a_100009832082_100000210206 [0,2,0,0,0,0|2,0,0]=4 3294 B9R0.48 C=CCN(C)CCC(C)C 2230a_100000225617_100000210312 [0,2,0,0,0,0|2,0,0]=4 3295 B9R0.48 C=CCN(C)CCC(C)C 2230a_100000742789_100000210623 [0,2,0,0,0,0|2,0,0]=4 3296 B9R0.48 C=CCN(C)CCC(C)C 269982a_100000225617_100000210312 [0,2,0,0,0,0|2,0,0]=4 3297 B9R0.48 C=CCN(C)CCC(C)C 269982a_100000742789_100000210623 [0,2,0,0,0,0|2,0,0]=4 3298 B9R0.48 C=CC[C@@H](C)OCC(C)C 34a_100000731007_100000210624 [0,2,0,0,0,0|2,0,0]=4 3299 B9R0.48 C=CC[C@@H](C)OCC(C)C 7a_100000731007_100000210760 [0,2,0,0,0,0|2,0,0]=4 3300 B9R0.48 C=CC[C@@H](N)COC(C)C 34a_100020615467_100000210206 [0,2,0,0,0,0|2,0,0]=4 3301 B9R0.48 C=COC(=O)CNC(C)C 2230a_100138425928_100000036128 [0,2,0,0,0,0|1,0,1]=4 3302 B9R0.48 C=COC(=O)CNC(C)C 34a_100138425928_100000036128 [0,2,0,0,0,0|1,0,1]=4 3303 B9R0.48 C=COC(=O)COC(C)C 34a_100000212225_100000036128 [0,2,0,0,0,0|1,0,1]=4 3304 B9R0.48 C=COC(=O)CSC(C)C 62a_100000036128_100000210206 [0,2,0,0,0,0|1,0,1]=4 3305 B9R0.48 C=COC(=O)CSC(C)C 62a_100000210206_100000036128 [0,2,0,0,0,0|1,0,1]=4 3306 B9R0.48 CC(C)CCC(=O)C=CBr 1458a_100016273825_100000210312 [0,2,0,0,0,0|2,0,0]=4 3307 B9R0.48 CC(C)CCC(=O)C=CCl 1458a_200016279998_100000210312 [0,2,0,0,0,0|2,0,0]=4 3308 B9R0.48 CC(C)CCC(=O)C=CI 1458a_100016256311_100000210312 [0,2,0,0,0,0|2,0,0]=4 3309 B9R0.48 CC(C)CCC(C)OCF 34a_100011215350_100015361967 [0,2,0,0,0,0|1,0,1]=4 3310 B9R0.48 CC(C)CCC(C)OCF 7a_100011215350_100015361967 [0,2,0,0,0,0|1,0,1]=4 3311 B9R0.48 CC(C)CCN(C)CC=O 2230a_100000742789_200015260668 [0,2,0,0,0,0|1,0,0]=3 3312 B9R0.48 CC(C)CCN(C)CC=O 269982a_100000742789_200015260668 [0,2,0,0,0,0|1,0,0]=3 3313 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [0,2,0,0,0,0|2,0,0]=4 3314 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [0,2,0,0,0,0|1,0,1]=4 3315 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [0,2,0,0,0,0|1,0,1]=4 3316 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [0,2,0,0,0,0|1,0,1]=4 3317 B9R0.48 CN(C)CCN(C)CC=O 269982a_100000225618_200015260668 [0,2,0,0,0,0|2,0,0]=4 3318 B9R0.55 C=C(Br)CCOCC(C)C 34a_100009813270_100000210624 [0,2,0,0,0,0|2,0,0]=4 3319 B9R0.55 C=C(C)CCNCC(C)C 2230a_100000210953_100000730704 [0,2,0,0,0,0|2,0,0]=4 3320 B9R0.55 C=C(C)CCNCC(C)C 34a_100000210953_100000730704 [0,2,0,0,0,0|2,0,0]=4 3321 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [0,2,0,0,0,0|0,0,2]=4 3322 B9R0.55 C=C(C)CCOCC(=O)N 34a_100000764851_100000187820 [0,2,0,0,0,0|0,0,2]=4 3323 B9R0.55 C=C(C)CCOCC(=O)[O-] 34a_100000764851_100020667443 [0,2,0,0,0,0|0,0,2]=4 3324 B9R0.55 C=C(C)CCOCC(C)C 34a_100000210257_100000730704 [0,2,0,0,0,0|2,0,0]=4 3325 B9R0.55 C=C(C)CCOCC(C)C 34a_100000764851_100000210624 [0,2,0,0,0,0|2,0,0]=4 3326 B9R0.55 C=C(C)CCSCC(C)C 62a_100000210624_100000730704 [0,2,0,0,0,0|2,0,0]=4 3327 B9R0.55 C=C(C)CCSCC(C)C 62a_100000730704_100000210760 [0,2,0,0,0,0|2,0,0]=4 3328 B9R0.55 C=C(C)COCCC(C)Br 34a_100009893172_100000748629 [0,2,0,0,0,0|2,0,0]=4 3329 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [0,2,0,0,0,0|1,0,0]=3 3330 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [0,2,0,0,0,0|1,0,0]=3 3331 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [0,2,0,0,0,0|1,0,0]=3 3332 B9R0.55 C=C(C)COCCC(C)O 34a_100000210245_100012276601 [0,2,0,0,0,0|2,0,0]=4 3333 B9R0.55 C=C(C)COCC[C@@H](C)N 34a_100000706166_100000748629 [0,2,0,0,0,0|2,0,0]=4 3334 B9R0.55 C=C(C)COCOC(=O)C 34a_100000210245_100009813279 [0,2,0,0,0,0|0,0,2]=4 3335 B9R0.55 C=C(C)COCOC(C)C 34a_100000210245_100000709892 [0,2,0,0,0,0|2,0,0]=4 3336 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [0,2,0,0,0,0|1,1,0]=4 3337 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [0,2,0,0,0,0|1,1,0]=4 3338 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000076356_100000211660 [0,2,0,0,0,0|0,0,2]=4 3339 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000748629_100000076356 [0,2,0,0,0,0|0,0,2]=4 3340 B9R0.55 C=C(F)COCCC(C)Br 34a_100009893172_100009893438 [0,2,0,0,0,0|2,0,0]=4 3341 B9R0.55 C=C(F)COCCC(C)C 34a_100000210254_100009893438 [0,2,0,0,0,0|1,0,0]=3 3342 B9R0.55 C=C(F)COCCC(C)C 34a_200010262243_100000210312 [0,2,0,0,0,0|1,0,0]=3 3343 B9R0.55 C=C(F)COCCC(C)C 7a_100000210254_100000042424 [0,2,0,0,0,0|1,0,0]=3 3344 B9R0.55 C=C(F)COCCC(C)O 34a_200010262243_100012276601 [0,2,0,0,0,0|2,0,0]=4 3345 B9R0.55 C=C(F)COCC[C@@H](C)N 34a_100000706166_100009893438 [0,2,0,0,0,0|2,0,0]=4 3346 B9R0.55 C=C(F)COCOC(C)C 34a_200010262243_100000709892 [0,2,0,0,0,0|2,0,0]=4 3347 B9R0.55 C=C(F)CSCCC(C)C 62a_100000042424_100000210312 [0,2,0,0,0,0|1,1,0]=4 3348 B9R0.55 C=C(F)CSCCC(C)C 62a_100000210312_100000042424 [0,2,0,0,0,0|1,1,0]=4 3349 B9R0.55 CC(=CCCNC(C)C)C 2230a_100138425928_100011217483 [0,2,0,0,0,0|2,0,0]=4 3350 B9R0.55 CC(=CCCNC(C)C)C 34a_100138425928_100011217483 [0,2,0,0,0,0|2,0,0]=4 3351 B9R0.55 CC(=CCCOC(C)C)C 34a_100000212225_100011217483 [0,2,0,0,0,0|2,0,0]=4 3352 B9R0.55 CC(=CCCSC(C)C)C 62a_100000210206_100011217483 [0,2,0,0,0,0|2,0,0]=4 3353 B9R0.55 CC(=CCCSC(C)C)C 62a_100011217483_100000210206 [0,2,0,0,0,0|2,0,0]=4 3354 B9R0.55 CC(=CCNCC(C)C)C 2230a_100000210953_100000761012 [0,2,0,0,0,0|2,0,0]=4 3355 B9R0.55 CC(=CCNCC(C)C)C 270004a_100000718196_100000210432 [0,2,0,0,0,0|2,0,0]=4 3356 B9R0.55 CC(=CCNCC(C)C)C 34a_100000210953_100000761012 [0,2,0,0,0,0|2,0,0]=4 3357 B9R0.55 CC(=CCNCC(C)C)C 34a_100000718196_100000210624 [0,2,0,0,0,0|2,0,0]=4 3358 B9R0.55 CC(=CCOCC(=O)N)C 34a_100000753907_100000187820 [0,2,0,0,0,0|0,0,2]=4 3359 B9R0.55 CC(=CCOCC(=O)[O-])C 34a_100000753907_100020667443 [0,2,0,0,0,0|0,0,2]=4 3360 B9R0.55 CC(=CCOCC(C)C)C 34a_100000210257_100000761012 [0,2,0,0,0,0|2,0,0]=4 3361 B9R0.55 CC(=CCOCC(C)C)C 34a_100000753907_100000210624 [0,2,0,0,0,0|2,0,0]=4 3362 B9R0.55 CC(=CCSCC(C)C)C 62a_100000210624_100000761012 [0,2,0,0,0,0|2,0,0]=4 3363 B9R0.55 CC(=CCSCC(C)C)C 62a_100000761012_100000210760 [0,2,0,0,0,0|2,0,0]=4 3364 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,2,0,0,0,0|1,0,0]=3 3365 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,2,0,0,0,0|1,0,0]=3 3366 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,2,0,0,0,0|2,0,0]=4 3367 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,2,0,0,0,0|1,0,0]=3 3368 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,2,0,0,0,0|1,0,1]=4 3369 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,2,0,0,0,0|1,0,0]=3 3370 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,2,0,0,0,0|1,0,0]=3 3371 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,2,0,0,0,0|1,0,0]=3 3372 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,2,0,0,0,0|1,0,0]=3 3373 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,2,0,0,0,0|1,0,0]=3 3374 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,2,0,0,0,0|1,0,1]=4 3375 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,2,0,0,0,0|1,0,1]=4 3376 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,2,0,0,0,0|1,0,1]=4 3377 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,2,0,0,0,0|1,0,1]=4 3378 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,2,0,0,0,0|1,0,0]=3 3379 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,2,0,0,0,0|1,0,0]=3 3380 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,2,0,0,0,0|2,0,0]=4 3381 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,2,0,0,0,0|2,0,0]=4 3382 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,2,0,0,0,0|2,0,0]=4 3383 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,2,0,0,0,0|2,0,0]=4 3384 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,2,0,0,0,0|1,0,0]=3 3385 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,2,0,0,0,0|1,0,0]=3 3386 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,2,0,0,0,0|2,0,0]=4 3387 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,2,0,0,0,0|2,0,0]=4 3388 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,2,0,0,0,0|2,0,0]=4 3389 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,2,0,0,0,0|2,0,0]=4 3390 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [0,2,0,0,0,0|0,0,2]=4 3391 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,2,0,0,0,0|0,0,0]=2 3392 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,2,0,0,0,0|1,0,0]=3 3393 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [0,2,0,0,0,0|1,0,1]=4 3394 B9R0.55 CC(=O)COCOC(C)C 34a_100000211253_100000709892 [0,2,0,0,0,0|1,0,0]=3 3395 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,2,0,0,0,0|1,0,0]=3 3396 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,2,0,0,0,0|1,0,0]=3 3397 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,2,0,0,0,0|1,0,0]=3 3398 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,2,0,0,0,0|1,0,0]=3 3399 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [0,2,0,0,0,0|2,0,0]=4 3400 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [0,2,0,0,0,0|2,0,0]=4 3401 B9R0.55 CC(=O)NCCNC(C)C 2230a_100000209853_100000210206 [0,2,0,0,0,0|1,0,0]=3 3402 B9R0.55 CC(=O)NCCNC(C)C 2230a_100138425928_100000189650 [0,2,0,0,0,0|1,0,0]=3 3403 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [0,2,0,0,0,0|1,0,1]=4 3404 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [0,2,0,0,0,0|1,0,1]=4 3405 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [0,2,0,0,0,0|1,0,1]=4 3406 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [0,2,0,0,0,0|1,0,0]=3 3407 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [0,2,0,0,0,0|1,0,0]=3 3408 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [0,2,0,0,0,0|1,0,0]=3 3409 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [0,2,0,0,0,0|1,0,0]=3 3410 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [0,2,0,0,0,0|1,0,0]=3 3411 B9R0.55 CC(=O)NCCSC(C)C 11a_100000731138_100015343762 [0,2,0,0,0,0|1,0,0]=3 3412 B9R0.55 CC(=O)NCCSC(C)C 1626a_100000731138_100015343762 [0,2,0,0,0,0|1,0,0]=3 3413 B9R0.55 CC(=O)NCCSC(C)C 240690a_100000731138_100015343762 [0,2,0,0,0,0|1,0,0]=3 3414 B9R0.55 CC(=O)NCCSC(C)C 527a_100000731138_100103153847 [0,2,0,0,0,0|1,0,0]=3 3415 B9R0.55 CC(=O)NCCSC(C)C 62a_100000189650_100000210206 [0,2,0,0,0,0|1,0,0]=3 3416 B9R0.55 CC(=O)NCCSC(C)C 62a_100000210206_100000189650 [0,2,0,0,0,0|1,0,0]=3 3417 B9R0.55 CC(=O)NN=CCC(C)C 4a_100000189765_100000185833 [0,2,0,0,0,0|1,0,1]=4 3418 B9R0.55 CC(=O)NNCCN(C)C 22a_100000738145_100000070787 [0,2,0,0,0,0|2,0,0]=4 3419 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,2,0,0,0,0|1,0,0]=3 3420 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [0,2,0,0,0,0|0,0,0]=2 3421 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [0,2,0,0,0,0|0,0,0]=2 3422 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [0,2,0,0,0,0|0,0,0]=2 3423 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [0,2,0,0,0,0|0,0,0]=2 3424 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [0,2,0,0,0,0|0,0,0]=2 3425 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,2,0,0,0,0|1,0,0]=3 3426 B9R0.55 CC(=O)OCNCC(F)F 34a_100000765723_100009813279 [0,2,0,0,0,0|2,0,0]=4 3427 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [0,2,0,0,0,0|1,0,0]=3 3428 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [0,2,0,0,0,0|0,0,0]=2 3429 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [0,2,0,0,0,0|1,0,0]=3 3430 B9R0.55 CC(=O)OCOCC(F)F 34a_100000743014_100009813279 [0,2,0,0,0,0|2,0,0]=4 3431 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [0,2,0,0,0,0|1,0,0]=3 3432 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [0,2,0,0,0,0|1,0,0]=3 3433 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [0,2,0,0,0,0|0,0,0]=2 3434 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [0,2,0,0,0,0|0,0,0]=2 3435 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [0,2,0,0,0,0|1,0,0]=3 3436 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [0,2,0,0,0,0|1,0,0]=3 3437 B9R0.55 CC(=O)OCSCC(F)F 62a_100000076356_100011934356 [0,2,0,0,0,0|2,0,0]=4 3438 B9R0.55 CC(=O)OCSCC(F)F 62a_100011934356_100000076356 [0,2,0,0,0,0|2,0,0]=4 3439 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [0,2,0,0,0,0|1,0,0]=3 3440 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [0,2,0,0,0,0|1,0,0]=3 3441 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [0,2,0,0,0,0|1,1,0]=4 3442 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [0,2,0,0,0,0|1,1,0]=4 3443 B9R0.55 CC(=S)OCCCN(C)C 2230a_100102631434_200135323944 [0,2,0,0,0,0|1,1,0]=4 3444 B9R0.55 CC(=S)OCCCN(C)C 269982a_100102631434_200135323944 [0,2,0,0,0,0|1,1,0]=4 3445 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [0,2,0,0,0,0|1,0,0]=3 3446 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [0,2,0,0,0,0|1,0,0]=3 3447 B9R0.55 CC(Br)CCOC[N+](=O)[O-] 34a_100009893172_100000761209 [0,2,0,0,0,0|1,0,1]=4 3448 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [0,2,0,0,0,0|2,0,0]=4 3449 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,2,0,0,0,0|1,0,0]=3 3450 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [0,2,0,0,0,0|1,0,1]=4 3451 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [0,2,0,0,0,0|1,0,1]=4 3452 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [0,2,0,0,0,0|1,0,1]=4 3453 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [0,2,0,0,0,0|1,0,0]=3 3454 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,2,0,0,0,0|1,0,0]=3 3455 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,2,0,0,0,0|0,0,0]=2 3456 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,2,0,0,0,0|0,0,0]=2 3457 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [0,2,0,0,0,0|0,0,0]=2 3458 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [0,2,0,0,0,0|1,0,1]=4 3459 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [0,2,0,0,0,0|1,0,1]=4 3460 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [0,2,0,0,0,0|1,0,1]=4 3461 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [0,2,0,0,0,0|1,0,1]=4 3462 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [0,2,0,0,0,0|1,0,1]=4 3463 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [0,2,0,0,0,0|0,0,2]=4 3464 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [0,2,0,0,0,0|0,0,2]=4 3465 B9R0.55 CC(C)CCOCC(F)F 34a_100000210254_100011934356 [0,2,0,0,0,0|1,0,1]=4 3466 B9R0.55 CC(C)CCOCC(F)F 34a_100000743014_100000210312 [0,2,0,0,0,0|1,0,1]=4 3467 B9R0.55 CC(C)CCOCC(F)F 7a_100000210254_100011934356 [0,2,0,0,0,0|1,0,1]=4 3468 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [0,2,0,0,0,0|1,0,1]=4 3469 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [0,2,0,0,0,0|1,0,1]=4 3470 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [0,2,0,0,0,0|0,0,2]=4 3471 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [0,2,0,0,0,0|0,0,2]=4 3472 B9R0.55 CC(C)CCOC[N+](=O)[O-] 34a_100000210254_100000761209 [0,2,0,0,0,0|0,0,1]=3 3473 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,2,0,0,0,0|0,1,0]=3 3474 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,2,0,0,0,0|0,1,0]=3 3475 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,2,0,0,0,0|0,1,0]=3 3476 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,2,0,0,0,0|0,1,0]=3 3477 B9R0.55 CC(C)CCSC[N+](=O)[O-] 62a_100000210312_100000761209 [0,2,0,0,0,0|0,1,1]=4 3478 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [0,2,0,0,0,0|1,0,0]=3 3479 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [0,2,0,0,0,0|1,0,0]=3 3480 B9R0.55 CC(C)CNCOC(C)C 2230a_100000210953_100000709892 [0,2,0,0,0,0|1,0,1]=4 3481 B9R0.55 CC(C)CNCOC(C)C 34a_100000210953_100000709892 [0,2,0,0,0,0|1,0,1]=4 3482 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,2,0,0,0,0|1,0,0]=3 3483 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [0,2,0,0,0,0|1,0,0]=3 3484 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [0,2,0,0,0,0|1,0,0]=3 3485 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [0,2,0,0,0,0|1,0,0]=3 3486 B9R0.55 CC(C)COCOC(C)C 34a_100000210257_100000709892 [0,2,0,0,0,0|1,0,1]=4 3487 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,2,0,0,0,0|1,0,0]=3 3488 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,2,0,0,0,0|1,0,0]=3 3489 B9R0.55 CC(C)CSCOC(C)C 62a_100000210624_100000709892 [0,2,0,0,0,0|1,0,1]=4 3490 B9R0.55 CC(C)CSCOC(C)C 62a_100000709892_100000210760 [0,2,0,0,0,0|1,0,1]=4 3491 B9R0.55 CC(C)NCCC=C(F)F 2230a_100138425928_200009816681 [0,2,0,0,0,0|2,0,0]=4 3492 B9R0.55 CC(C)NCCC=C(F)F 34a_100138425928_200009816681 [0,2,0,0,0,0|2,0,0]=4 3493 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [0,2,0,0,0,0|1,0,0]=3 3494 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [0,2,0,0,0,0|1,0,0]=3 3495 B9R0.55 CC(C)NCCCS(=O)C 2230a_200000753449_100000210206 [0,2,0,0,0,0|2,0,0]=4 3496 B9R0.55 CC(C)NCCNC(=O)N 2230a_100138425928_200000034859 [0,2,0,0,0,0|1,0,0]=3 3497 B9R0.55 CC(C)NCCNC(=O)N 34a_100020590234_100000210206 [0,2,0,0,0,0|1,0,0]=3 3498 B9R0.55 CC(C)NCCOC(=O)N 34a_100138425928_200011214921 [0,2,0,0,0,0|0,0,0]=2 3499 B9R0.55 CC(C)NCCOC(C)C 2230a_100000701111_100000210206 [0,2,0,0,0,0|1,0,1]=4 3500 B9R0.55 CC(C)NCCOC(C)C 2230a_100138425928_100000211751 [0,2,0,0,0,0|1,0,1]=4 3501 B9R0.55 CC(C)NCCOC(C)C 34a_100000224655_100000210206 [0,2,0,0,0,0|1,0,1]=4 3502 B9R0.55 CC(C)NCCOC(C)C 34a_100000701111_100000210206 [0,2,0,0,0,0|1,0,1]=4 3503 B9R0.55 CC(C)NCCOC(C)C 34a_100138425928_100000211751 [0,2,0,0,0,0|1,0,1]=4 3504 B9R0.55 CC(C)OCCC=C(F)F 34a_100000212225_200009816681 [0,2,0,0,0,0|2,0,0]=4 3505 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [0,2,0,0,0,0|1,0,0]=3 3506 B9R0.55 CC(C)OCCC[N+](=O)[O-] 34a_200000037920_100000210206 [0,2,0,0,0,0|2,0,0]=4 3507 B9R0.55 CC(C)OCCNC(=O)N 34a_100000181757_100000210206 [0,2,0,0,0,0|1,0,0]=3 3508 B9R0.55 CC(C)OCCOC(=O)N 34a_100000212225_200011214921 [0,2,0,0,0,0|0,0,0]=2 3509 B9R0.55 CC(C)OCCOC(=O)N 7a_100000766696_100000210206 [0,2,0,0,0,0|0,0,0]=2 3510 B9R0.55 CC(C)OCCOC(C)C 34a_100000211219_100000210206 [0,2,0,0,0,0|1,0,1]=4 3511 B9R0.55 CC(C)OCCOC(C)C 34a_100000212225_100000211751 [0,2,0,0,0,0|1,0,1]=4 3512 B9R0.55 CC(C)OCCOC(C)C 7a_100000211219_100000210206 [0,2,0,0,0,0|1,0,1]=4 3513 B9R0.55 CC(C)OCCSC(C)C 34a_100000212225_100000730970 [0,2,0,0,0,0|1,0,1]=4 3514 B9R0.55 CC(C)OCCSC(C)C 34a_200011212901_100000210206 [0,2,0,0,0,0|1,0,1]=4 3515 B9R0.55 CC(C)OCCSC(C)C 62a_100000210206_100000211751 [0,2,0,0,0,0|1,0,1]=4 3516 B9R0.55 CC(C)OCCSC(C)C 62a_100000211751_100000210206 [0,2,0,0,0,0|1,0,1]=4 3517 B9R0.55 CC(C)OCCSC(C)C 7a_200011212901_100000210206 [0,2,0,0,0,0|1,0,1]=4 3518 B9R0.55 CC(C)OCNCC(=O)N 2230a_100000711301_100000709892 [0,2,0,0,0,0|2,0,0]=4 3519 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,2,0,0,0,0|2,0,0]=4 3520 B9R0.55 CC(C)OCSCC(=O)N 62a_100000709892_100000747473 [0,2,0,0,0,0|1,1,0]=4 3521 B9R0.55 CC(C)OCSCC(=O)N 62a_100000747473_100000709892 [0,2,0,0,0,0|1,1,0]=4 3522 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100000709892_100020667443 [0,2,0,0,0,0|1,1,0]=4 3523 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100020667443_100000709892 [0,2,0,0,0,0|1,1,0]=4 3524 B9R0.55 CC(C)SCCC=C(F)F 62a_100000210206_200009816681 [0,2,0,0,0,0|2,0,0]=4 3525 B9R0.55 CC(C)SCCC=C(F)F 62a_200009816681_100000210206 [0,2,0,0,0,0|2,0,0]=4 3526 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [0,2,0,0,0,0|1,0,0]=3 3527 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [0,2,0,0,0,0|1,0,0]=3 3528 B9R0.55 CC(C)SCCNC(=O)N 62a_100000210206_200000034859 [0,2,0,0,0,0|1,0,0]=3 3529 B9R0.55 CC(C)SCCNC(=O)N 62a_200000034859_100000210206 [0,2,0,0,0,0|1,0,0]=3 3530 B9R0.55 CC(C)SCCOC(=O)N 62a_100000210206_200011214921 [0,2,0,0,0,0|0,0,0]=2 3531 B9R0.55 CC(C)SCCOC(=O)N 62a_200011214921_100000210206 [0,2,0,0,0,0|0,0,0]=2 3532 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [0,2,0,0,0,0|2,0,0]=4 3533 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,2,0,0,0,0|2,0,0]=4 3534 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,2,0,0,0,0|2,0,0]=4 3535 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,2,0,0,0,0|2,0,0]=4 3536 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,2,0,0,0,0|1,1,0]=4 3537 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,2,0,0,0,0|1,1,0]=4 3538 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,2,0,0,0,0|1,1,0]=4 3539 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,2,0,0,0,0|1,1,0]=4 3540 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,2,0,0,0,0|2,0,0]=4 3541 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,2,0,0,0,0|2,0,0]=4 3542 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,2,0,0,0,0|2,0,0]=4 3543 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,2,0,0,0,0|2,0,0]=4 3544 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,2,0,0,0,0|2,0,0]=4 3545 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,2,0,0,0,0|2,0,0]=4 3546 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,2,0,0,0,0|2,0,0]=4 3547 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,2,0,0,0,0|2,0,0]=4 3548 B9R0.55 CN(C)CCOCC(=O)N 2230a_100102631434_100000076697 [0,2,0,0,0,0|1,0,0]=3 3549 B9R0.55 CN(C)CCOCC(=O)N 269982a_100102631434_100000076697 [0,2,0,0,0,0|1,0,0]=3 3550 B9R0.55 CN(C)CCSCC(=O)N 62a_100000747473_100000755713 [0,2,0,0,0,0|1,1,0]=4 3551 B9R0.55 CN(C)CCSCC(=O)[O-] 62a_100020667443_100000755713 [0,2,0,0,0,0|1,1,0]=4 3552 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [0,2,0,0,0,0|2,0,0]=4 3553 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [0,2,0,0,0,0|1,0,0]=3 3554 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [0,2,0,0,0,0|1,0,0]=3 3555 B9R0.55 C[C@@H](N)CCOC[N+](=O)[O-] 34a_100000706166_100000761209 [0,2,0,0,0,0|1,0,1]=4 3556 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [0,2,0,0,0,0|2,0,0]=4 3557 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,2,0,0,0,0|2,0,0]=4 3558 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,2,0,0,0,0|2,0,0]=4 3559 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,2,0,0,0,0|2,0,0]=4 3560 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,2,0,0,0,0|2,0,0]=4 3561 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,2,0,0,0,0|2,0,0]=4 3562 B9R0.55 NC(=O)COCCC(F)F 34a_100103093639_100000187820 [0,2,0,0,0,0|2,0,0]=4 3563 B9R0.55 O=C([O-])COCCC(F)F 34a_100103093639_100020667443 [0,2,0,0,0,0|2,0,0]=4 3564 B9R0.3 C[C@@H](NCC=O)C(C)(C)C 2230a_100025703359_200015260668 [0,2,0,0,0,0|2,0,0]=4 3565 B9R0.3 C[C@H](NCC=O)C(C)(C)O 2230a_100025708725_200015260668 [0,2,0,0,0,0|2,0,0]=4 3566 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,2,0,0,0,0|2,0,0]=4 3567 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,2,0,0,0,0|2,0,0]=4 3568 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,2,0,0,0,0|2,0,0]=4 3569 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,2,0,0,0,0|2,0,0]=4 3570 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,2,0,0,0,0|2,0,0]=4 3571 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,2,0,0,0,0|2,0,0]=4 3572 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,2,0,0,0,0|1,0,0]=3 3573 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,2,0,0,0,0|2,0,0]=4 3574 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,2,0,0,0,0|2,0,0]=4 3575 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,2,0,0,0,0|2,0,0]=4 3576 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,2,0,0,0,0|2,0,0]=4 3577 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,2,0,0,0,0|2,0,0]=4 3578 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,2,0,0,0,0|2,0,0]=4 3579 B9R0.7 CC(=O)CCN(C)C(C)C 1458a_100015184040_200000210301 [0,2,0,0,0,0|2,0,0]=4 3580 B9R0.7 CC(=O)CCN(C)C(C)C 269982a_200000211004_100000053229 [0,2,0,0,0,0|2,0,0]=4 3581 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,2,0,0,0,0|1,0,0]=3 3582 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,2,0,0,0,0|1,0,0]=3 3583 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,2,0,0,0,0|1,0,0]=3 3584 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,2,0,0,0,0|1,0,0]=3 3585 B9R0.7 CC(=O)N(C)CCN(C)C 240690a_100000225618_100015343762 [0,2,0,0,0,0|2,0,0]=4 3586 B9R0.7 CC(=O)N(C)CCN(C)C 527a_100000225618_100103153847 [0,2,0,0,0,0|2,0,0]=4 3587 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [0,2,0,0,0,0|1,0,1]=4 3588 B9R0.7 CC(=O)NCC(O)C(C)C 11a_100000759067_100015343762 [0,2,0,0,0,0|1,0,0]=3 3589 B9R0.7 CC(=O)NCC(O)C(C)C 240690a_100000759067_100015343762 [0,2,0,0,0,0|1,0,0]=3 3590 B9R0.7 CC(=O)NCC(O)C(C)C 527a_100000759067_100103153847 [0,2,0,0,0,0|1,0,0]=3 3591 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,2,0,0,0,0|0,0,1]=3 3592 B9R0.7 CC(=O)OCC(=O)N(C)C 1626a_100102631434_100000183556 [0,2,0,0,0,0|1,0,1]=4 3593 B9R0.7 CC(=O)OCC(=O)N(C)C 240690a_100102631434_100000183556 [0,2,0,0,0,0|1,0,1]=4 3594 B9R0.7 CC(=O)OCC(=O)N(C)C 527a_100102631434_100000183556 [0,2,0,0,0,0|1,0,1]=4 3595 B9R0.7 CC(=O)OCC(C)N(C)C 270004a_100102631434_100000000629 [0,2,0,0,0,0|1,0,0]=3 3596 B9R0.7 CC(=O)OCN(C)C(C)C 269982a_200000211004_100000076356 [0,2,0,0,0,0|1,0,0]=3 3597 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [0,2,0,0,0,0|0,1,1]=4 3598 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,2,0,0,0,0|1,0,1]=4 3599 B9R0.7 CC(C)C(=O)CNC(=O)N 1458a_100000184981_100000210206 [0,2,0,0,0,0|1,0,1]=4 3600 B9R0.7 CC(C)C(C)NCC(=O)N 2230a_100000211541_100000747473 [0,2,0,0,0,0|2,0,0]=4 3601 B9R0.7 CC(C)C(C)OCC(=O)N 7a_100000748068_100000187820 [0,2,0,0,0,0|2,0,0]=4 3602 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,2,0,0,0,0|2,0,0]=4 3603 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,2,0,0,0,0|2,0,0]=4 3604 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,2,0,0,0,0|2,0,0]=4 3605 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,2,0,0,0,0|2,0,0]=4 3606 B9R0.7 CC(C)CNC(F)C(=O)N 2230a_100000210953_100009813875 [0,2,0,0,0,0|2,0,0]=4 3607 B9R0.7 CC(C)CNC(F)C(=O)N 34a_100000210953_100009813875 [0,2,0,0,0,0|2,0,0]=4 3608 B9R0.7 CC(C)CNC(F)C(=O)[O-] 34a_100000210953_100020610796 [0,2,0,0,0,0|2,0,0]=4 3609 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,2,0,0,0,0|2,0,0]=4 3610 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,2,0,0,0,0|2,0,0]=4 3611 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,2,0,0,0,0|2,0,0]=4 3612 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,2,0,0,0,0|2,0,0]=4 3613 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,2,0,0,0,0|2,0,0]=4 3614 B9R0.7 CC(C)COC(F)C(=O)N 34a_100000210257_100009813875 [0,2,0,0,0,0|2,0,0]=4 3615 B9R0.7 CC(C)COC(F)C(=O)[O-] 34a_100000210257_100020610796 [0,2,0,0,0,0|2,0,0]=4 3616 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,2,0,0,0,0|2,0,0]=4 3617 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,2,0,0,0,0|2,0,0]=4 3618 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,2,0,0,0,0|2,0,0]=4 3619 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,2,0,0,0,0|2,0,0]=4 3620 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,2,0,0,0,0|2,0,0]=4 3621 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100000210624_100009813875 [0,2,0,0,0,0|2,0,0]=4 3622 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100009813875_100000210760 [0,2,0,0,0,0|2,0,0]=4 3623 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100000210624_100020610796 [0,2,0,0,0,0|2,0,0]=4 3624 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000210760 [0,2,0,0,0,0|2,0,0]=4 3625 B9R0.7 CC(C)N(C)CCC(=O)N 2230a_100000730477_100000210206 [0,2,0,0,0,0|2,0,0]=4 3626 B9R0.7 CC(C)N(C)CCC(=O)N 2230a_100011191440_200000210301 [0,2,0,0,0,0|2,0,0]=4 3627 B9R0.7 CC(C)N(C)CCC(=O)N 269982a_100011191440_200000210301 [0,2,0,0,0,0|2,0,0]=4 3628 B9R0.7 CC(C)N(C)CCC(=O)N 269982a_200000211004_100000744528 [0,2,0,0,0,0|2,0,0]=4 3629 B9R0.7 CC(C)N(C)CCC(=O)[13CH3] 1458a_100015184040_200025704644 [0,2,0,0,0,0|2,0,0]=4 3630 B9R0.7 CC(C)N([13CH3])CCC(=O)N 2230a_100011191440_200025704644 [0,2,0,0,0,0|2,0,0]=4 3631 B9R0.7 CC(C)N([13CH3])CCC(=O)N 269982a_100011191440_200025704644 [0,2,0,0,0,0|2,0,0]=4 3632 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,2,0,0,0,0|2,0,0]=4 3633 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,2,0,0,0,0|2,0,0]=4 3634 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,2,0,0,0,0|2,0,0]=4 3635 B9R0.7 CC(C)OC[C@H](N)C(C)C 34a_100011830312_100000210206 [0,2,0,0,0,0|1,0,1]=4 3636 B9R0.13 C#CC(OCC=O)C(C)C 34a_100011217124_200009817547 [0,2,0,0,0,0|2,0,0]=4 3637 B9R0.13 C#CC(OCC=O)C(C)C 7a_100011217124_200015260668 [0,2,0,0,0,0|2,0,0]=4 3638 B9R0.13 C=CC(OCC=O)C(C)C 34a_100000732651_200009817547 [0,2,0,0,0,0|2,0,0]=4 3639 B9R0.13 C=CC(OCC=O)C(C)C 7a_100000732651_200015260668 [0,2,0,0,0,0|2,0,0]=4 3640 B9R0.13 CC(C)C(C#N)OCC=O 34a_100000748901_200009817547 [0,2,0,0,0,0|2,0,0]=4 3641 B9R0.13 CC(C)C(C#N)OCC=O 7a_100000748901_200015260668 [0,2,0,0,0,0|2,0,0]=4 3642 B9R0.13 CC(C)C(CN)COCF 34a_100000692819_100015361967 [0,2,0,0,0,0|1,0,1]=4 3643 B9R0.13 CC(C)C(CN)OCC=O 34a_100000759067_200009817547 [0,2,0,0,0,0|2,0,0]=4 3644 B9R0.13 CC(C)[C@H](CO)NCC=O 2230a_100011830312_200015260668 [0,2,0,0,0,0|2,0,0]=4 3645 B9R0.13 CC(C)[C@H](CO)NCC=O 34a_100011830312_200009817547 [0,2,0,0,0,0|2,0,0]=4 3646 B9R0.13 CCC(COCF)C(C)C 34a_100011995916_100015361967 [0,2,0,0,0,0|1,0,1]=4 3647 B9R0.13 CCC(COCF)C(C)C 7a_100011995916_100015361967 [0,2,0,0,0,0|1,0,1]=4 3648 B9R0.13 CCC(OCC=O)C(C)C 34a_100011218073_200009817547 [0,2,0,0,0,0|2,0,0]=4 3649 B9R0.13 CCC(OCC=O)C(C)C 7a_100011218073_200015260668 [0,2,0,0,0,0|2,0,0]=4 3650 B9R0.13 CCOCC(CC)C(C)C 34a_100011995916_100000210202 [0,2,0,0,0,0|1,0,1]=4 3651 B9R0.13 CCOCC(CC)C(C)C 7a_100011995916_100000210202 [0,2,0,0,0,0|1,0,1]=4 3652 B9R0.13 CCOCC(CN)C(C)C 34a_100000692819_100000210202 [0,2,0,0,0,0|1,0,1]=4 3653 B9R0.51 CC(C)C(C)(C)NCC=O 2230a_200160471154_200015260668 [0,2,0,0,0,0|2,0,0]=4 3654 B9R0.51 CC(C)C(C)(C)OCC=O 7a_100011215261_200015260668 [0,2,0,0,0,0|2,0,0]=4 3655 B9R0.21 C=CC(=O)CCC(C)(C)C 1458a_100000185746_100000755188 [0,2,0,0,0,0|2,0,0]=4 3656 B9R0.43 CC(C)CNC(C=O)C=O 2230a_100000210953_100000736813 [0,2,0,0,0,0|2,0,0]=4 3657 B9R0.43 CC(C)CNC(C=O)C=O 34a_100000210953_100000736813 [0,2,0,0,0,0|2,0,0]=4 3658 B9R0.43 CC(C)COC(C=O)C=O 34a_100000210257_100000736813 [0,2,0,0,0,0|2,0,0]=4 3659 B9R0.43 CC(C)CSC(C=O)C=O 62a_100000210624_100000736813 [0,2,0,0,0,0|2,0,0]=4 3660 B9R0.43 CC(C)CSC(C=O)C=O 62a_100000736813_100000210760 [0,2,0,0,0,0|2,0,0]=4 3661 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000070787_100016990835 [0,2,0,0,0,0|2,0,0]=4 3662 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000085584_200000210301 [0,2,0,0,0,0|2,0,0]=4 3663 B9R0.56 CC(=O)CCC[Si](C)(C)C 1458a_100000070787_100011219597 [0,2,0,0,0,0|1,1,0]=4 3664 B9R0.56 CC(=O)CCOC(C)(C)C 34a_100000759926_100000210625 [0,2,0,0,0,0|2,0,0]=4 3665 B9R0.56 CC(=O)CCOC(C)(C)C 7a_100015890283_100000053229 [0,2,0,0,0,0|2,0,0]=4 3666 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000053229_100000211941 [0,2,0,0,0,0|2,0,0]=4 3667 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000211941_100000053229 [0,2,0,0,0,0|2,0,0]=4 3668 B9R0.56 CC(=O)COCC(C)(C)C 34a_100000211253_100011219605 [0,2,0,0,0,0|2,0,0]=4 3669 B9R0.56 CC(=O)COCC(C)(C)F 34a_100000211253_100011997219 [0,2,0,0,0,0|2,0,0]=4 3670 B9R0.56 CC(=O)COCC(C)(C)O 34a_100000211253_100000764493 [0,2,0,0,0,0|2,0,0]=4 3671 B9R0.56 CC(=O)NCCC(C)(C)C 11a_100000738805_100015343762 [0,2,0,0,0,0|1,0,0]=3 3672 B9R0.56 CC(=O)NCCC(C)(C)C 1626a_100000738805_100015343762 [0,2,0,0,0,0|1,0,0]=3 3673 B9R0.56 CC(=O)NCCC(C)(C)C 240690a_100000738805_100015343762 [0,2,0,0,0,0|1,0,0]=3 3674 B9R0.56 CC(=O)NCCC(C)(C)C 527a_100000738805_100103153847 [0,2,0,0,0,0|1,0,0]=3 3675 B9R0.56 CC(=O)NCCC(C)(C)F 11a_100016253952_100015343762 [0,2,0,0,0,0|1,0,0]=3 3676 B9R0.56 CC(=O)NCCC(C)(C)F 1626a_100016253952_100015343762 [0,2,0,0,0,0|1,0,0]=3 3677 B9R0.56 CC(=O)NCCC(C)(C)F 240690a_100016253952_100015343762 [0,2,0,0,0,0|1,0,0]=3 3678 B9R0.56 CC(=O)NCCC(C)(C)F 527a_100016253952_100103153847 [0,2,0,0,0,0|1,0,0]=3 3679 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [0,2,0,0,0,0|1,0,0]=3 3680 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [0,2,0,0,0,0|1,0,0]=3 3681 B9R0.56 CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100015343762 [0,2,0,0,0,0|2,0,0]=4 3682 B9R0.56 CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100015343762 [0,2,0,0,0,0|2,0,0]=4 3683 B9R0.56 CC(=O)NCC[N+](C)(C)C 527a_100000106457_100103153847 [0,2,0,0,0,0|2,0,0]=4 3684 B9R0.56 CC(=O)OCOC(C)(C)C 34a_100015890283_100009813279 [0,2,0,0,0,0|1,0,0]=3 3685 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000076356_100000211941 [0,2,0,0,0,0|1,0,0]=3 3686 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000211941_100000076356 [0,2,0,0,0,0|1,0,0]=3 3687 B9R0.56 CC(C)(C)CNCC(=O)N 2230a_100000743828_100000747473 [0,2,0,0,0,0|2,0,0]=4 3688 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [0,2,0,0,0,0|2,0,0]=4 3689 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100000747473_100011219605 [0,2,0,0,0,0|2,0,0]=4 3690 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100011219605_100000747473 [0,2,0,0,0,0|2,0,0]=4 3691 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100011219605_100020667443 [0,2,0,0,0,0|2,0,0]=4 3692 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100020667443_100011219605 [0,2,0,0,0,0|2,0,0]=4 3693 B9R0.56 CC(C)(C)NCCC(=O)N 2230a_100000715429_100000744528 [0,2,0,0,0,0|2,0,0]=4 3694 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100000757172_100000210625 [0,2,0,0,0,0|2,0,0]=4 3695 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100015890283_100000731001 [0,2,0,0,0,0|2,0,0]=4 3696 B9R0.56 CC(C)(C)OCCC(=O)N 7a_100015890283_100000744528 [0,2,0,0,0,0|2,0,0]=4 3697 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000211941_100000744528 [0,2,0,0,0,0|2,0,0]=4 3698 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000744528_100000211941 [0,2,0,0,0,0|2,0,0]=4 3699 B9R0.56 CC(C)(F)CNCC(=O)N 2230a_100020643315_100000747473 [0,2,0,0,0,0|2,0,0]=4 3700 B9R0.56 CC(C)(F)CNCC(=O)O 269956a_100016091260_100011997219 [0,2,0,0,0,0|2,0,0]=4 3701 B9R0.56 CC(C)(F)COCC(=O)N 34a_100000716592_100000187820 [0,2,0,0,0,0|2,0,0]=4 3702 B9R0.56 CC(C)(F)COCC(=O)[O-] 34a_100000716592_100020667443 [0,2,0,0,0,0|2,0,0]=4 3703 B9R0.56 CC(C)(F)CSCC(=O)N 62a_100000747473_100011997219 [0,2,0,0,0,0|2,0,0]=4 3704 B9R0.56 CC(C)(F)CSCC(=O)N 62a_100011997219_100000747473 [0,2,0,0,0,0|2,0,0]=4 3705 B9R0.56 CC(C)(F)CSCC(=O)[O-] 62a_100011997219_100020667443 [0,2,0,0,0,0|2,0,0]=4 3706 B9R0.56 CC(C)(F)CSCC(=O)[O-] 62a_100020667443_100011997219 [0,2,0,0,0,0|2,0,0]=4 3707 B9R0.56 CC(C)(O)CNCC(=O)N 2230a_100000751335_100000747473 [0,2,0,0,0,0|2,0,0]=4 3708 B9R0.56 CC(C)(O)CNCC(=O)O 269956a_100016091260_100000764493 [0,2,0,0,0,0|2,0,0]=4 3709 B9R0.56 CC(C)(O)CSCC(=O)N 62a_100000747473_100000764493 [0,2,0,0,0,0|2,0,0]=4 3710 B9R0.56 CC(C)(O)CSCC(=O)N 62a_100000764493_100000747473 [0,2,0,0,0,0|2,0,0]=4 3711 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100000764493_100020667443 [0,2,0,0,0,0|2,0,0]=4 3712 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100020667443_100000764493 [0,2,0,0,0,0|2,0,0]=4 3713 B9R0.56 CC(C)CCNS(=O)(=O)C 40a_100000210545_100000738038 [0,2,0,0,0,0|2,0,0]=4 3714 B9R0.56 CC(C)CCOC(C)(C)C 34a_100000210254_100000210625 [0,2,0,0,0,0|1,0,1]=4 3715 B9R0.56 CC(C)CCOC(C)(C)C 34a_100015890283_100000210312 [0,2,0,0,0,0|1,0,1]=4 3716 B9R0.56 CC(C)CCOC(C)(C)C 7a_100015890283_100000210626 [0,2,0,0,0,0|1,0,1]=4 3717 B9R0.56 CC(C)CCOC(F)(F)F 34a_100000210254_200103152311 [0,2,0,0,0,0|1,0,1]=4 3718 B9R0.56 CC(C)CCOC(F)(F)F 7a_100000210254_200000243211 [0,2,0,0,0,0|1,0,1]=4 3719 B9R0.56 CC(C)OCCC(C)(C)C 34a_100000212225_100000755188 [0,2,0,0,0,0|1,0,1]=4 3720 B9R0.56 CC(C)OCCC(C)(C)C 7a_100000765024_100000210206 [0,2,0,0,0,0|1,0,1]=4 3721 B9R0.56 CC(C)OCCC(C)(C)O 34a_100000212225_100000702414 [0,2,0,0,0,0|1,0,1]=4 3722 B9R0.56 CN(C)CCOS(=O)(=O)C 2230a_100102631434_200000036756 [0,2,0,0,0,0|2,0,0]=4 3723 B9R0.56 CN(C)CCOS(=O)(=O)C 269982a_100102631434_200000036756 [0,2,0,0,0,0|2,0,0]=4 3724 B9R0.56 C[N+](C)(C)CCCC(=O)[13CH3] 1458a_100000085584_200025704644 [0,2,0,0,0,0|2,0,0]=4 3725 B7R1.2 CN1CNC(=O)C1 2230a_200000708111_200000210301 [1,0,0,1,0,0|2,0,0]=4 3726 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,1,0,0|1,0,1]=4 3727 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,1,0,0|1,0,1]=4 3728 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,1,0,0|1,0,1]=4 3729 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,1,0,0|1,0,1]=4 3730 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,1,0,0|1,0,1]=4 3731 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,1,0,0|1,0,1]=4 3732 B7R1.2 [13CH3]N1CNC(=O)C1 2230a_200000708111_200025704644 [1,0,0,1,0,0|2,0,0]=4 3733 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [1,0,0,1,0,0|2,0,0]=4 3734 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [1,0,0,1,0,0|2,0,0]=4 3735 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [1,0,0,1,0,0|2,0,0]=4 3736 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [1,0,0,1,0,0|1,0,1]=4 3737 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [1,0,0,1,0,0|1,0,1]=4 3738 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [1,0,0,1,0,0|1,0,1]=4 3739 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [1,0,0,1,0,0|2,0,0]=4 3740 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [1,0,0,1,0,0|2,0,0]=4 3741 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [1,0,0,1,0,0|2,0,0]=4 3742 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [1,0,0,1,0,0|1,0,1]=4 3743 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [1,0,0,1,0,0|1,0,1]=4 3744 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [1,0,0,1,0,0|1,0,1]=4 3745 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [1,0,0,1,0,0|0,0,1]=3 3746 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [1,0,0,1,0,0|0,0,1]=3 3747 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [1,0,0,1,0,0|0,0,1]=3 3748 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [1,0,0,1,0,0|0,0,1]=3 3749 B7R1.7 C=CCNC1CC1 34a_100000212008_100015514636 [1,0,0,1,0,0|2,0,0]=4 3750 B7R1.7 C=CCOC1CC1 34a_200000210373_100000211595 [1,0,0,1,0,0|2,0,0]=4 3751 B7R1.7 C=CCSC1CC1 62a_100000210623_100000211595 [1,0,0,1,0,0|2,0,0]=4 3752 B7R1.7 CCOCC1CC1 34a_100000211283_100000210202 [1,0,0,1,0,0|1,0,1]=4 3753 B7R1.7 CCOCC1CC1 34a_100121572206_100000742324 [1,0,0,1,0,0|1,0,1]=4 3754 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [1,0,0,1,0,0|1,0,1]=4 3755 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [1,0,0,1,0,0|1,0,1]=4 3756 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [1,0,0,1,0,0|1,0,1]=4 3757 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [1,0,0,1,0,0|1,0,1]=4 3758 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [1,0,0,1,0,0|0,0,1]=3 3759 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [1,0,0,1,0,0|0,0,1]=3 3760 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [1,0,0,1,0,0|0,0,1]=3 3761 B7R1.7 COCCC1CO1 34a_100138415774_100000732470 [1,0,0,1,0,0|1,0,1]=4 3762 B7R1.7 COCC[C@@H]1CO1 34a_100009820653_200000210301 [1,0,0,1,0,0|1,0,1]=4 3763 B7R1.7 COCSC1CC1 62a_100000766300_100000211595 [1,0,0,1,0,0|1,0,1]=4 3764 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [1,0,0,1,0,0|0,1,1]=4 3765 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [1,0,0,1,0,0|0,1,1]=4 3766 B7R1.7 FCOCC1CC1 34a_100000211283_100015361967 [1,0,0,1,0,0|1,0,1]=4 3767 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [1,0,0,1,0,0|1,0,0]=3 3768 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [1,0,0,1,0,0|1,0,0]=3 3769 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [1,0,0,1,0,0|1,0,1]=4 3770 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [1,0,0,1,0,0|0,0,1]=3 3771 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [1,0,0,1,0,0|0,0,1]=3 3772 B7R1.7 [13CH3]OCC[C@@H]1CO1 34a_100009820653_200025704644 [1,0,0,1,0,0|1,0,1]=4 3773 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [1,0,0,1,0,0|0,1,1]=4 3774 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [1,0,0,1,0,0|0,1,1]=4 3775 B7R1.10 COC1CN(C1)C 269982a_100000755009_200000210301 [1,0,0,1,0,0|1,0,1]=4 3776 B7R1.10 COC1CN(C1)[13CH3] 269982a_100000755009_200025704644 [1,0,0,1,0,0|1,0,1]=4 3777 B7R1.18 CN(C)C1COC1 2230a_100102693430_200000210301 [1,0,0,1,0,0|1,0,1]=4 3778 B7R1.18 CN(C)C1COC1 269982a_100102631434_100000687716 [1,0,0,1,0,0|1,0,1]=4 3779 B7R1.18 CN(C)C1COC1 269982a_100102693430_200000210301 [1,0,0,1,0,0|1,0,1]=4 3780 B7R1.18 CN([13CH3])C1COC1 2230a_100102693430_200025704644 [1,0,0,1,0,0|1,0,1]=4 3781 B7R1.18 CN([13CH3])C1COC1 269982a_100102693430_200025704644 [1,0,0,1,0,0|1,0,1]=4 3782 B7R1.20 CN(C)CC1CO1 2230a_100102631434_100011216344 [1,0,0,1,0,0|1,0,1]=4 3783 B7R1.20 CN(C)CC1CO1 269982a_100102631434_102125554688 [1,0,0,1,0,0|1,0,1]=4 3784 B7R1.20 CN(C)C[C@@H]1CO1 269982a_100102631434_100000745022 [1,0,0,1,0,0|1,0,1]=4 3785 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [1,0,0,1,0,0|1,0,1]=4 3786 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [1,0,0,1,0,0|1,0,1]=4 3787 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [1,0,0,1,0,0|1,0,1]=4 3788 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [1,0,0,1,0,0|2,0,0]=4 3789 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,1,0,0|2,0,0]=4 3790 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,1,0,0|2,0,0]=4 3791 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,1,0,0|2,0,0]=4 3792 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|2,0,0]=4 3793 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|2,0,0]=4 3794 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|2,0,0]=4 3795 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|2,0,0]=4 3796 B9R1.7 C=CCN1CC[C@H](C1)C 2230a_100016987628_100000210623 [0,1,0,1,0,0|2,0,0]=4 3797 B9R1.7 C=CCN1CC[C@H](C1)C 269982a_100016987628_100000210623 [0,1,0,1,0,0|2,0,0]=4 3798 B9R1.7 C=CCN1CC[C@H](C1)C 34a_100016987628_100015514636 [0,1,0,1,0,0|2,0,0]=4 3799 B9R1.7 CC1CCC(C1)OCF 34a_100000698185_100015361967 [0,1,0,1,0,0|1,0,1]=4 3800 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,1,0,1,0,0|1,0,1]=4 3801 B9R1.7 C[C@@H]1CCN(C1)CC=O 2230a_100016987628_200015260668 [0,1,0,1,0,0|1,0,0]=3 3802 B9R1.7 C[C@@H]1CCN(C1)CC=O 269982a_100016987628_200015260668 [0,1,0,1,0,0|1,0,0]=3 3803 B9R1.7 C[C@@H]1CCN(C1)CC=O 34a_100016987628_200009817547 [0,1,0,1,0,0|1,0,0]=3 3804 B9R1.7 O=CCN1CCC(C1)O 2230a_100011215560_200015260668 [0,1,0,1,0,0|2,0,0]=4 3805 B9R1.7 O=CCN1CCC(C1)O 269982a_100011215560_200015260668 [0,1,0,1,0,0|2,0,0]=4 3806 B9R1.7 O=CCN1CC[C@@H](C1)F 2230a_100015203821_200015260668 [0,1,0,1,0,0|2,0,0]=4 3807 B9R1.7 O=CCN1CC[C@@H](C1)F 269982a_100015203821_200015260668 [0,1,0,1,0,0|2,0,0]=4 3808 B9R1.7 O=CCN1CC[C@@H](C1)F 34a_100015203821_200009817547 [0,1,0,1,0,0|2,0,0]=4 3809 B9R1.13 CC(C)CN1CC=CC1 269982a_100015195280_100000210624 [0,1,0,1,0,0|2,0,0]=4 3810 B9R1.13 CC(C)NC1CC=CC1 2230a_100015188752_100000210206 [0,1,0,1,0,0|2,0,0]=4 3811 B9R1.13 CC(C)NC1CCOC1 2230a_100138425928_100000731011 [0,1,0,1,0,0|1,0,1]=4 3812 B9R1.13 CC(C)NC1CCOC1 34a_100138425928_100000690089 [0,1,0,1,0,0|1,0,1]=4 3813 B9R1.13 CC(C)N[C@@H]1CCOC1 2230a_200015188469_100000210206 [0,1,0,1,0,0|1,0,1]=4 3814 B9R1.13 CC(C)N[C@H]1CCOC1 2230a_100015188467_100000210206 [0,1,0,1,0,0|1,0,1]=4 3815 B9R1.13 CC(C)N[C@H]1CCOC1 34a_100015188467_100000210206 [0,1,0,1,0,0|1,0,1]=4 3816 B9R1.13 CC(C)OC1CCOC1 34a_100000212225_100000690089 [0,1,0,1,0,0|1,0,1]=4 3817 B9R1.13 CC(C)O[C@H]1CCOC1 34a_100000717292_100000210206 [0,1,0,1,0,0|1,0,1]=4 3818 B9R1.13 CC(C)SC1CCOC1 62a_100000210206_100000690089 [0,1,0,1,0,0|1,0,1]=4 3819 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,1,0,1,0,0|1,0,1]=4 3820 B9R1.41 CN(C)C1CCCC1=O 2230a_100102631434_100000211823 [0,1,0,1,0,0|2,0,0]=4 3821 B9R1.41 CN(C)C1CCCC1=O 269982a_100102631434_100000211823 [0,1,0,1,0,0|2,0,0]=4 3822 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,1,0,1,0,0|1,0,0]=3 3823 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,1,0,1,0,0|1,0,0]=3 3824 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,1,0,1,0,0|2,0,0]=4 3825 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,1,0,1,0,0|2,0,0]=4 3826 B9R1.53 CC(=O)NC1CC(C1)F 11a_100016993743_100015343762 [0,1,0,1,0,0|2,0,0]=4 3827 B9R1.53 CC(=O)NC1CC(C1)F 1626a_100016993743_100015343762 [0,1,0,1,0,0|2,0,0]=4 3828 B9R1.53 CC(=O)NC1CC(C1)F 240690a_100016993743_100015343762 [0,1,0,1,0,0|2,0,0]=4 3829 B9R1.53 CC(=O)NC1CC(C1)F 527a_100016993743_100103153847 [0,1,0,1,0,0|2,0,0]=4 3830 B9R1.53 CC(=O)NC1CN(C1)C 240690a_100015196640_100015343762 [0,1,0,1,0,0|2,0,0]=4 3831 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100015343762 [0,1,0,1,0,0|2,0,0]=4 3832 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100015343762 [0,1,0,1,0,0|2,0,0]=4 3833 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100015343762 [0,1,0,1,0,0|2,0,0]=4 3834 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100103153847 [0,1,0,1,0,0|2,0,0]=4 3835 B9R1.53 CC(=O)OC1CN(C1)C 269982a_100016994906_200000210301 [0,1,0,1,0,0|1,0,0]=3 3836 B9R1.53 CC(=O)OC1CN(C1)[13CH3] 269982a_100016994906_200025704644 [0,1,0,1,0,0|1,0,0]=3 3837 B9R1.53 CC(C)SC1CC(=O)C1 62a_100009894365_100000210206 [0,1,0,1,0,0|2,0,0]=4 3838 B9R1.53 CC1CN(C1)CC(=O)N 2230a_100000702820_100000747473 [0,1,0,1,0,0|2,0,0]=4 3839 B9R1.53 CC1CN(C1)CC(=O)N 269982a_100000702820_100000187820 [0,1,0,1,0,0|2,0,0]=4 3840 B9R1.53 CC1CN(C1)CC(=O)N 34a_100000702820_100000187820 [0,1,0,1,0,0|2,0,0]=4 3841 B9R1.53 CC1CN(C1)CC(=O)[O-] 269982a_100000702820_100020667443 [0,1,0,1,0,0|2,0,0]=4 3842 B9R1.53 CC1CN(C1)CC(=O)[O-] 34a_100000702820_100020667443 [0,1,0,1,0,0|2,0,0]=4 3843 B9R1.53 CN(C)CC1CC(=O)C1 2230a_100102631434_100009874392 [0,1,0,1,0,0|2,0,0]=4 3844 B9R1.53 CN(C)CC1CC(=O)C1 269982a_100102631434_100009874392 [0,1,0,1,0,0|2,0,0]=4 3845 B9R1.53 CN1CC(C1)CC(=O)O 269956a_100016993960_200000210301 [0,1,0,1,0,0|2,0,0]=4 3846 B9R1.53 [13CH3]N1CC(C1)CC(=O)O 269956a_100016993960_200025704644 [0,1,0,1,0,0|2,0,0]=4 3847 B9R1.75 CN(CC=O)CC1CC1 2230a_100000741881_200015260668 [0,1,0,1,0,0|2,0,0]=4 3848 B9R1.75 CN(CC=O)CC1CC1 269982a_100000741881_200015260668 [0,1,0,1,0,0|2,0,0]=4 3849 B9R1.136 CC1(CN(C1)CC=O)C 2230a_100000753659_200015260668 [0,1,0,1,0,0|2,0,0]=4 3850 B9R1.136 CC1(CN(C1)CC=O)C 269982a_100000753659_200015260668 [0,1,0,1,0,0|2,0,0]=4 3851 B9R1.136 CC1(CN(C1)CC=O)F 2230a_100000696199_200015260668 [0,1,0,1,0,0|2,0,0]=4 3852 B9R1.136 CC1(CN(C1)CC=O)F 269982a_100000696199_200015260668 [0,1,0,1,0,0|2,0,0]=4 3853 B9R1.136 CC1(CN(C1)CC=O)O 2230a_100000718560_200015260668 [0,1,0,1,0,0|2,0,0]=4 3854 B9R1.136 CC1(CN(C1)CC=O)O 269982a_100000718560_200015260668 [0,1,0,1,0,0|2,0,0]=4 3855 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,1,0,1,0,0|1,0,1]=4 3856 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,1,0,1,0,0|1,0,1]=4 3857 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,1,0,1,0,0|2,0,0]=4 3858 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,1,0,0|1,0,0]=3 3859 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,1,0,1,0,0|1,0,0]=3 3860 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,1,0,1,0,0|1,0,0]=3 3861 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [0,1,0,1,0,0|1,0,1]=4 3862 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,1,0,1,0,0|1,0,0]=3 3863 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,1,0,1,0,0|1,0,1]=4 3864 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,1,0,1,0,0|1,0,1]=4 3865 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,1,0,1,0,0|1,0,0]=3 3866 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,1,0,1,0,0|1,0,0]=3 3867 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,1,0,1,0,0|1,0,0]=3 3868 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,1,0,1,0,0|1,0,0]=3 3869 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,1,0,1,0,0|1,0,0]=3 3870 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 3871 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 3872 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [0,1,0,1,0,0|2,0,0]=4 3873 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 3874 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 3875 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [0,1,0,1,0,0|2,0,0]=4 3876 B9R1.16 C#CCOCC1CC1C 34a_100000744939_100000184674 [0,1,0,1,0,0|1,0,1]=4 3877 B9R1.16 C#CCOCC1CC1C 7a_100000744939_100000038162 [0,1,0,1,0,0|1,0,1]=4 3878 B9R1.16 C=CCOCC1CC1C 34a_100000744939_100015514636 [0,1,0,1,0,0|1,0,0]=3 3879 B9R1.16 C=CCOCC1CC1C 7a_100000744939_100015514636 [0,1,0,1,0,0|1,0,0]=3 3880 B9R1.16 CC1CC1COCC#N 7a_100000744939_100011215382 [0,1,0,1,0,0|1,0,1]=4 3881 B9R1.16 CC1CC1COCC=O 34a_100000744939_200009817547 [0,1,0,1,0,0|0,0,0]=2 3882 B9R1.16 CC1CC1COCC=O 7a_100000744939_200015260668 [0,1,0,1,0,0|0,0,0]=2 3883 B9R1.16 CC1CC1COCCF 34a_100000744939_100011217306 [0,1,0,1,0,0|1,0,1]=4 3884 B9R1.16 CC1CC1COCCF 7a_100000744939_100011217306 [0,1,0,1,0,0|1,0,1]=4 3885 B9R1.16 CC1CC1COCCO 34a_100000744939_100000211926 [0,1,0,1,0,0|0,0,2]=4 3886 B9R1.16 CC1CC1COCCO 7a_100000744939_100000211926 [0,1,0,1,0,0|0,0,2]=4 3887 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [0,1,0,1,0,0|1,0,1]=4 3888 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [0,1,0,1,0,0|1,0,1]=4 3889 B9R1.16 CSCOCC1CC1C 34a_100000744939_100011218213 [0,1,0,1,0,0|0,1,1]=4 3890 B9R1.17 C=COCCN1CCC1 269982a_100000754969_100000039644 [0,1,0,1,0,0|2,0,0]=4 3891 B9R1.17 CCOCCC1COC1 34a_100009855314_100000210202 [0,1,0,1,0,0|1,0,1]=4 3892 B9R1.17 FCOCCC1COC1 34a_100009855314_100015361967 [0,1,0,1,0,0|1,0,1]=4 3893 B9R1.17 O=CCCCN1CCC1 269982a_100000754969_200011292268 [0,1,0,1,0,0|2,0,0]=4 3894 B9R1.17 O=CCNCC1CCC1 2230a_100000738700_200015260668 [0,1,0,1,0,0|2,0,0]=4 3895 B9R1.17 O=CCNCC1CCC1 34a_100000738700_200009817547 [0,1,0,1,0,0|2,0,0]=4 3896 B9R1.17 O=CCNCC1COC1 2230a_100015281925_200015260668 [0,1,0,1,0,0|2,0,0]=4 3897 B9R1.17 O=CCNCC1COC1 34a_100015281925_200009817547 [0,1,0,1,0,0|2,0,0]=4 3898 B9R1.17 O=CCNC[C@@H]1CCO1 2230a_100020831831_200015260668 [0,1,0,1,0,0|2,0,0]=4 3899 B9R1.17 O=CCNC[C@@H]1CCO1 34a_100020831831_200009817547 [0,1,0,1,0,0|2,0,0]=4 3900 B9R1.17 O=CCOCC1CCC1 34a_100000760304_200009817547 [0,1,0,1,0,0|2,0,0]=4 3901 B9R1.17 O=CCOCC1CCO1 34a_100000039022_200009817547 [0,1,0,1,0,0|2,0,0]=4 3902 B9R1.17 O=CCOCC1CNC1 34a_100016987283_200009817547 [0,1,0,1,0,0|2,0,0]=4 3903 B9R1.17 O=CCOCC1COC1 34a_100000060846_200009817547 [0,1,0,1,0,0|2,0,0]=4 3904 B9R1.17 O=CCSCC1CCC1 62a_100000763275_200015260668 [0,1,0,1,0,0|2,0,0]=4 3905 B9R1.17 O=CCSCC1CCC1 62a_200015260668_100000763275 [0,1,0,1,0,0|2,0,0]=4 3906 B9R1.17 O=CCSCC1CCO1 62a_100000103362_200015260668 [0,1,0,1,0,0|2,0,0]=4 3907 B9R1.17 O=CCSCC1CCO1 62a_200015260668_100000103362 [0,1,0,1,0,0|2,0,0]=4 3908 B9R1.17 O=CCSCC1COC1 62a_100010264016_200015260668 [0,1,0,1,0,0|2,0,0]=4 3909 B9R1.17 O=CCSCC1COC1 62a_200015260668_100010264016 [0,1,0,1,0,0|2,0,0]=4 3910 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,1,0,1,0,0|2,0,0]=4 3911 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,1,0,1,0,0|2,0,0]=4 3912 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,1,0,1,0,0|2,0,0]=4 3913 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,1,0,1,0,0|2,0,0]=4 3914 B9R1.58 CCC1CN(C1)CC=O 2230a_100015205115_200015260668 [0,1,0,1,0,0|2,0,0]=4 3915 B9R1.58 CCC1CN(C1)CC=O 269982a_100015205115_200015260668 [0,1,0,1,0,0|2,0,0]=4 3916 B9R1.58 COC1CN(C1)CC=O 269982a_100000755009_200015260668 [0,1,0,1,0,0|2,0,0]=4 3917 B9R1.58 CSC1CN(C1)CC=O 269982a_100016990038_200015260668 [0,1,0,1,0,0|2,0,0]=4 3918 B9R1.58 O=CCN1CC(C1)CF 269982a_100010363649_200015260668 [0,1,0,1,0,0|2,0,0]=4 3919 B9R1.58 O=CCN1CC(C1)CF 34a_100010363649_200009817547 [0,1,0,1,0,0|2,0,0]=4 3920 B9R1.58 O=CCN1CC(C1)CO 269982a_100016987283_200015260668 [0,1,0,1,0,0|2,0,0]=4 3921 B9R1.58 O=CCN1CC(C1)CO 34a_100016987283_200009817547 [0,1,0,1,0,0|2,0,0]=4 3922 B9R1.80 C=CC(=O)CCC1CC1 1458a_100000185746_100000694398 [0,1,0,1,0,0|2,0,0]=4 3923 B9R1.81 CCN(C)C1CCC1=O 269982a_100000225621_100009892977 [0,1,0,1,0,0|2,0,0]=4 3924 B9R1.99 CC1(CC1)CNCC=O 2230a_100000766693_200015260668 [0,1,0,1,0,0|2,0,0]=4 3925 B9R1.99 CC1(CC1)COCC=O 7a_100000698024_200015260668 [0,1,0,1,0,0|2,0,0]=4 3926 B9R1.99 CC1(CO1)CSCC=O 62a_100000760498_200015260668 [0,1,0,1,0,0|2,0,0]=4 3927 B9R1.99 CC1(CO1)CSCC=O 62a_200015260668_100000760498 [0,1,0,1,0,0|2,0,0]=4 3928 B9R1.99 O=CCNCC1(CC1)O 2230a_100011936951_200015260668 [0,1,0,1,0,0|2,0,0]=4 3929 B9R1.99 O=CCOCC1(CC1)F 34a_200000703853_200009817547 [0,1,0,1,0,0|2,0,0]=4 3930 B9R1.99 O=CCOCC1(CC1)F 7a_200000703853_200015260668 [0,1,0,1,0,0|2,0,0]=4 3931 B9R1.118 CC1(CCOCC1)N[13CH3] 2230a_100000692449_200025704644 [0,1,0,1,0,0|1,0,1]=4 3932 B9R1.118 CC1(CCOCC1)N[13CH3] 34a_100000692449_200025704644 [0,1,0,1,0,0|1,0,1]=4 3933 B9R1.118 CC1(CCOCC1)O[13CH3] 34a_100011827762_200025704644 [0,1,0,1,0,0|1,0,1]=4 3934 B9R1.118 CC1(CCOCC1)O[13CH3] 7a_100011827762_200025704644 [0,1,0,1,0,0|1,0,1]=4 3935 B9R1.118 CNC1(CCOCC1)C 2230a_100000692449_200000210301 [0,1,0,1,0,0|1,0,1]=4 3936 B9R1.118 CNC1(CCOCC1)C 34a_100000692449_200000210301 [0,1,0,1,0,0|1,0,1]=4 3937 B9R1.118 COC1(CCOCC1)C 34a_100011827762_200000210301 [0,1,0,1,0,0|1,0,1]=4 3938 B9R1.118 COC1(CCOCC1)C 7a_100011827762_200000210301 [0,1,0,1,0,0|1,0,1]=4 3939 B9R1.6 CC(C)N1CC=CCC1 2230a_100000698166_100000210206 [0,1,0,1,0,0|2,0,0]=4 3940 B9R1.6 CC(C)N1CC=CCC1 269982a_100000698166_100000210206 [0,1,0,1,0,0|2,0,0]=4 3941 B9R1.6 CC(C)N1CC=CCC1 34a_100000698166_100000210206 [0,1,0,1,0,0|2,0,0]=4 3942 B9R1.6 CC(C)N1CCOCC1 2230a_100015191051_100000210206 [0,1,0,1,0,0|1,0,1]=4 3943 B9R1.6 CC(C)N1CCOCC1 269982a_100015191051_100000210206 [0,1,0,1,0,0|1,0,1]=4 3944 B9R1.6 CC(C)N1CCOCC1 34a_100015191051_100000210206 [0,1,0,1,0,0|1,0,1]=4 3945 B9R1.9 C/C=C/CN1CC(C1)C 269982a_100000702820_100102629194 [0,1,0,1,0,0|2,0,0]=4 3946 B9R1.9 C/C=C/CN1CC(C1)C 34a_100000702820_100102629194 [0,1,0,1,0,0|2,0,0]=4 3947 B9R1.9 C=CCCN1CC(C1)C 2230a_100000702820_100000754431 [0,1,0,1,0,0|2,0,0]=4 3948 B9R1.9 C=CCCN1CC(C1)C 269982a_100000702820_100000754431 [0,1,0,1,0,0|2,0,0]=4 3949 B9R1.9 C=CCCN1CC(C1)C 34a_100000702820_100000754431 [0,1,0,1,0,0|2,0,0]=4 3950 B9R1.9 CC=CCN1CC(C1)C 2230a_100000702820_100000070051 [0,1,0,1,0,0|2,0,0]=4 3951 B9R1.9 CC=CCN1CC(C1)C 34a_100000702820_100000070051 [0,1,0,1,0,0|2,0,0]=4 3952 B9R1.9 CCOCN1CC(C1)C 269982a_100000702820_100000739092 [0,1,0,1,0,0|1,0,1]=4 3953 B9R1.9 O=CCNC1CC(C1)F 2230a_100016993743_200015260668 [0,1,0,1,0,0|2,0,0]=4 3954 B9R1.9 O=CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_200015260668 [0,1,0,1,0,0|2,0,0]=4 3955 B9R1.46 CC(C)OCC1CC1C 34a_100000744939_100000210206 [0,1,0,1,0,0|1,0,1]=4 3956 B9R1.46 CC(C)OCC1CC1C 7a_100000744939_100000210206 [0,1,0,1,0,0|1,0,1]=4 3957 B9R1.67 CC(C)NC1CCC1=O 34a_100138425928_100009892977 [0,1,0,1,0,0|1,0,0]=3 3958 B9R1.67 CC(C)OC1CCC1=O 34a_100000212225_100009892977 [0,1,0,1,0,0|1,0,0]=3 3959 B9R1.67 CC(C)SC1CCC1=O 62a_100000210206_100009892977 [0,1,0,1,0,0|1,0,0]=3 3960 B9R1.67 CC(C)SC1CCC1=O 62a_100009892977_100000210206 [0,1,0,1,0,0|1,0,0]=3 3961 B9R1.77 CC1(CC1COCF)C 34a_100000728257_100015361967 [0,1,0,1,0,0|1,0,1]=4 3962 B9R1.77 CC1(CC1COCF)C 7a_100000728257_100015361967 [0,1,0,1,0,0|1,0,1]=4 3963 B9R1.77 CC1(OC1COCF)C 34a_200010283642_100015361967 [0,1,0,1,0,0|1,0,1]=4 3964 B9R1.77 CC1(OC1COCF)C 7a_200010283642_100015361967 [0,1,0,1,0,0|1,0,1]=4 3965 B9R1.77 CCOCC1CC1(C)C 34a_100000728257_100000210202 [0,1,0,1,0,0|1,0,1]=4 3966 B9R1.77 CCOCC1CC1(C)C 7a_100000728257_100000210202 [0,1,0,1,0,0|1,0,1]=4 3967 B9R1.77 CCOCC1OC1(C)C 34a_200010283642_100000210202 [0,1,0,1,0,0|1,0,1]=4 3968 B9R1.77 CCOCC1OC1(C)C 7a_200010283642_100000210202 [0,1,0,1,0,0|1,0,1]=4 3969 B9R1.83 BrCCOCCC1CC1 34a_100000211926_100000694398 [0,1,0,1,0,0|1,0,1]=4 3970 B9R1.83 C#CCOCCC1CC1 34a_100000210247_100000694398 [0,1,0,1,0,0|1,0,1]=4 3971 B9R1.83 C#CCOCCC1CC1 34a_100000754188_100000184674 [0,1,0,1,0,0|1,0,1]=4 3972 B9R1.83 C#CCOCCC1CC1 7a_100000754188_100000038162 [0,1,0,1,0,0|1,0,1]=4 3973 B9R1.83 C/C=C/CCOC1CC1 34a_100016278192_100000211595 [0,1,0,1,0,0|2,0,0]=4 3974 B9R1.83 C/C=C/CNCC1CC1 34a_100000735609_100102629194 [0,1,0,1,0,0|2,0,0]=4 3975 B9R1.83 C/C=C/COCC1CC1 34a_100000211283_100102629194 [0,1,0,1,0,0|2,0,0]=4 3976 B9R1.83 C/C=C/COCC1CC1 34a_100016270725_100000742324 [0,1,0,1,0,0|2,0,0]=4 3977 B9R1.83 C/C=C/CSCC1CC1 62a_100000756562_100102629194 [0,1,0,1,0,0|2,0,0]=4 3978 B9R1.83 C/C=C/CSCC1CC1 62a_100102629194_100000742324 [0,1,0,1,0,0|2,0,0]=4 3979 B9R1.83 C=CCCCNC1CC1 34a_100000212008_100000757094 [0,1,0,1,0,0|2,0,0]=4 3980 B9R1.83 C=CCCCNC1CC1 34a_100000700776_100000211595 [0,1,0,1,0,0|2,0,0]=4 3981 B9R1.83 C=CCCCOC1CC1 34a_100000758997_100000211595 [0,1,0,1,0,0|2,0,0]=4 3982 B9R1.83 C=CCCCSC1CC1 62a_100011713584_100000211595 [0,1,0,1,0,0|2,0,0]=4 3983 B9R1.83 C=CCCNCC1CC1 2230a_100000735609_100000754431 [0,1,0,1,0,0|2,0,0]=4 3984 B9R1.83 C=CCCNCC1CC1 2230a_100015191253_100000742324 [0,1,0,1,0,0|2,0,0]=4 3985 B9R1.83 C=CCCNCC1CC1 269862a_100015191253_100000741477 [0,1,0,1,0,0|2,0,0]=4 3986 B9R1.83 C=CCCNCC1CC1 34a_100000735609_100000754431 [0,1,0,1,0,0|2,0,0]=4 3987 B9R1.83 C=CCCOCC1CC1 34a_100000211283_100000754431 [0,1,0,1,0,0|2,0,0]=4 3988 B9R1.83 C=CCCOCC1CC1 34a_100011205117_100000742324 [0,1,0,1,0,0|2,0,0]=4 3989 B9R1.83 C=CCCSCC1CC1 62a_100000754431_100000742324 [0,1,0,1,0,0|2,0,0]=4 3990 B9R1.83 C=CCCSCC1CC1 62a_100000756562_100000754431 [0,1,0,1,0,0|2,0,0]=4 3991 B9R1.83 C=CCNCCC1CC1 2230a_100020586998_100000694398 [0,1,0,1,0,0|2,0,0]=4 3992 B9R1.83 C=CCNCCC1CC1 34a_100000764129_100015514636 [0,1,0,1,0,0|2,0,0]=4 3993 B9R1.83 C=CCOCCC1CC1 34a_100000754188_100015514636 [0,1,0,1,0,0|1,0,0]=3 3994 B9R1.83 C=CCOCCC1CC1 34a_200000210373_100000694398 [0,1,0,1,0,0|1,0,0]=3 3995 B9R1.83 C=CCOCCC1CC1 7a_100000754188_100015514636 [0,1,0,1,0,0|1,0,0]=3 3996 B9R1.83 C=CCOCCC1CO1 34a_200000210373_100000732470 [0,1,0,1,0,0|2,0,0]=4 3997 B9R1.83 C=CCOCC[C@@H]1CO1 34a_100009820653_100015514636 [0,1,0,1,0,0|2,0,0]=4 3998 B9R1.83 C=CCSCCC1CC1 62a_100000210623_100000764125 [0,1,0,1,0,0|1,1,0]=4 3999 B9R1.83 C=CCSCCC1CC1 62a_100000764125_100000210623 [0,1,0,1,0,0|1,1,0]=4 4000 B9R1.83 C=COCCNC1CC1 34a_100000212008_100000039644 [0,1,0,1,0,0|1,0,0]=3 4001 B9R1.83 C=COCCOC1CC1 34a_100000033082_100000211595 [0,1,0,1,0,0|1,0,0]=3 4002 B9R1.83 C=COCCSC1CC1 62a_100000039644_100000211595 [0,1,0,1,0,0|1,0,0]=3 4003 B9R1.83 CC=CCNCC1CC1 2230a_100000735609_100000070051 [0,1,0,1,0,0|2,0,0]=4 4004 B9R1.83 CC=CCNCC1CC1 34a_100000735609_100000070051 [0,1,0,1,0,0|2,0,0]=4 4005 B9R1.83 CC=CCOCC1CC1 34a_100000211283_100000070051 [0,1,0,1,0,0|2,0,0]=4 4006 B9R1.83 CC=CCSCC1CC1 62a_100000070051_100000742324 [0,1,0,1,0,0|2,0,0]=4 4007 B9R1.83 CC=CCSCC1CC1 62a_100000756562_100000070051 [0,1,0,1,0,0|2,0,0]=4 4008 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [0,1,0,1,0,0|1,0,1]=4 4009 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [0,1,0,1,0,0|1,0,1]=4 4010 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [0,1,0,1,0,0|1,0,1]=4 4011 B9R1.83 CCOCCNC1CC1 34a_100000212008_100000210147 [0,1,0,1,0,0|1,0,1]=4 4012 B9R1.83 CCOCCNC1CC1 34a_100000738766_100000210202 [0,1,0,1,0,0|1,0,1]=4 4013 B9R1.83 CCOCCNC1CC1 34a_102516460346_100000211595 [0,1,0,1,0,0|1,0,1]=4 4014 B9R1.83 CCOCCOC1CC1 34a_100000210136_100000211595 [0,1,0,1,0,0|1,0,1]=4 4015 B9R1.83 CCOCCSC1CC1 62a_100000210147_100000211595 [0,1,0,1,0,0|1,0,1]=4 4016 B9R1.83 CCOCSCC1CC1 62a_100000739092_100000742324 [0,1,0,1,0,0|1,0,1]=4 4017 B9R1.83 CCOCSCC1CC1 62a_100000756562_100000739092 [0,1,0,1,0,0|1,0,1]=4 4018 B9R1.83 CSCOCCC1CC1 34a_100000754188_100011218213 [0,1,0,1,0,0|0,1,1]=4 4019 B9R1.83 FCCOCCC1CC1 34a_100000754188_100011217306 [0,1,0,1,0,0|1,0,1]=4 4020 B9R1.83 FCCOCCC1CC1 7a_100000754188_100011217306 [0,1,0,1,0,0|1,0,1]=4 4021 B9R1.83 FCOCCNC1CC1 34a_100000738766_100015361967 [0,1,0,1,0,0|1,0,1]=4 4022 B9R1.83 N#CCOCCC1CC1 7a_100000754188_100011215382 [0,1,0,1,0,0|1,0,1]=4 4023 B9R1.83 NCCOCCC1CC1 34a_100000210304_100000694398 [0,1,0,1,0,0|1,0,1]=4 4024 B9R1.83 O=CCCCSC1CC1 62a_200011292268_100000211595 [0,1,0,1,0,0|1,0,0]=3 4025 B9R1.83 O=CCNCCC1CC1 34a_100000764129_200009817547 [0,1,0,1,0,0|1,0,0]=3 4026 B9R1.83 O=CCOCCC1CC1 34a_100000754188_200009817547 [0,1,0,1,0,0|0,0,0]=2 4027 B9R1.83 O=CCOCCC1CC1 7a_100000754188_200015260668 [0,1,0,1,0,0|0,0,0]=2 4028 B9R1.83 O=CCOCC[C@@H]1CO1 34a_100009820653_200009817547 [0,1,0,1,0,0|1,0,0]=3 4029 B9R1.83 O=CCSCCC1CC1 62a_100000764125_200015260668 [0,1,0,1,0,0|0,1,0]=3 4030 B9R1.83 O=CCSCCC1CC1 62a_200015260668_100000764125 [0,1,0,1,0,0|0,1,0]=3 4031 B9R1.83 O=CCSCCC1CO1 62a_100000732470_200015260668 [0,1,0,1,0,0|1,1,0]=4 4032 B9R1.83 O=CCSCCC1CO1 62a_200015260668_100000732470 [0,1,0,1,0,0|1,1,0]=4 4033 B9R1.83 OCCOCCC1CC1 34a_100000754188_100000211926 [0,1,0,1,0,0|0,0,2]=4 4034 B9R1.83 OCCOCCC1CC1 7a_100000754188_100000211926 [0,1,0,1,0,0|0,0,2]=4 4035 B9R1.84 CC(C)NCC1CCO1 2230a_100138425928_100000103362 [0,1,0,1,0,0|1,0,1]=4 4036 B9R1.84 CC(C)NCC1CCO1 34a_100138425928_100000103362 [0,1,0,1,0,0|1,0,1]=4 4037 B9R1.84 CC(C)NC[C@@H]1CCO1 2230a_100020831831_100000210206 [0,1,0,1,0,0|1,0,1]=4 4038 B9R1.84 CC(C)NC[C@@H]1CCO1 34a_100020831831_100000210206 [0,1,0,1,0,0|1,0,1]=4 4039 B9R1.84 CC(C)OCC1CCO1 34a_100000039022_100000210206 [0,1,0,1,0,0|1,0,1]=4 4040 B9R1.84 CC(C)OCC1CCO1 34a_100000212225_100000103362 [0,1,0,1,0,0|1,0,1]=4 4041 B9R1.84 CC(C)SCC1CCO1 62a_100000103362_100000210206 [0,1,0,1,0,0|1,0,1]=4 4042 B9R1.84 CC(C)SCC1CCO1 62a_100000210206_100000103362 [0,1,0,1,0,0|1,0,1]=4 4043 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,1,0,1,0,0|2,0,0]=4 4044 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,1,0,1,0,0|2,0,0]=4 4045 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,1,0,1,0,0|2,0,0]=4 4046 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [0,1,0,1,0,0|2,0,0]=4 4047 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,1,0,1,0,0|2,0,0]=4 4048 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,1,0,1,0,0|1,0,0]=3 4049 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,1,0,1,0,0|1,0,0]=3 4050 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,1,0,1,0,0|1,0,0]=3 4051 B9R1.85 CC(=O)NNCC1CC1 22a_100000736359_100000070787 [0,1,0,1,0,0|2,0,0]=4 4052 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [0,1,0,1,0,0|1,0,0]=3 4053 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [0,1,0,1,0,0|1,0,0]=3 4054 B9R1.85 CC(C)CCOC1CC1 34a_100000210254_100000211595 [0,1,0,1,0,0|1,0,1]=4 4055 B9R1.85 CC(C)OCCC1CC1 34a_100000212225_100000694398 [0,1,0,1,0,0|1,0,1]=4 4056 B9R1.85 CC(C)OCCC1CC1 34a_100000754188_100000210206 [0,1,0,1,0,0|1,0,1]=4 4057 B9R1.85 CC(C)OCCC1CC1 7a_100000754188_100000210206 [0,1,0,1,0,0|1,0,1]=4 4058 B9R1.85 NC(=O)CCNC1CC1 34a_100000212008_100000731001 [0,1,0,1,0,0|2,0,0]=4 4059 B9R1.85 NC(=O)CCOC1CC1 34a_100000757172_100000211595 [0,1,0,1,0,0|2,0,0]=4 4060 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [0,1,0,1,0,0|2,0,0]=4 4061 B9R1.85 NC(=O)CNCC1CC1 2230a_100000711301_100000742324 [0,1,0,1,0,0|2,0,0]=4 4062 B9R1.85 NC(=O)CNCC1CC1 2230a_100000735609_100000747473 [0,1,0,1,0,0|2,0,0]=4 4063 B9R1.85 NC(=O)CNCC1CC1 34a_100000735609_100000187820 [0,1,0,1,0,0|2,0,0]=4 4064 B9R1.85 NC(=O)COCC1CC1 34a_100000211283_100000187820 [0,1,0,1,0,0|2,0,0]=4 4065 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [0,1,0,1,0,0|2,0,0]=4 4066 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [0,1,0,1,0,0|2,0,0]=4 4067 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,1,0,1,0,0|2,0,0]=4 4068 B9R1.85 O=C([O-])CNCC1CC1 34a_100000735609_100020667443 [0,1,0,1,0,0|2,0,0]=4 4069 B9R1.85 O=C([O-])COCC1CC1 34a_100000211283_100020667443 [0,1,0,1,0,0|2,0,0]=4 4070 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [0,1,0,1,0,0|2,0,0]=4 4071 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [0,1,0,1,0,0|2,0,0]=4 4072 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,1,0,1,0,0|2,0,0]=4 4073 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,1,0,1,0,0|2,0,0]=4 4074 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,1,0,1,0,0|2,0,0]=4 4075 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,1,0,1,0,0|2,0,0]=4 4076 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,1,0,1,0,0|2,0,0]=4 4077 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,1,0,1,0,0|2,0,0]=4 4078 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,1,0,1,0,0|2,0,0]=4 4079 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,1,0,1,0,0|2,0,0]=4 4080 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,1,0,1,0,0|2,0,0]=4 4081 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,1,0,1,0,0|1,0,0]=3 4082 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,1,0,1,0,0|1,0,0]=3 4083 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,1,0,1,0,0|1,0,0]=3 4084 B9R1.35 CC(C)N1CNC(=O)C1 2230a_200000708111_100000210206 [0,1,0,1,0,0|2,0,0]=4 4085 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,1,0,1,0,0|2,0,0]=4 4086 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,1,0,1,0,0|2,0,0]=4 4087 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,1,0,1,0,0|2,0,0]=4 4088 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,1,0,1,0,0|2,0,0]=4 4089 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,1,0,1,0,0|2,0,0]=4 4090 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,1,0,1,0,0|2,0,0]=4 4091 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,1,0,1,0,0|2,0,0]=4 4092 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,1,0,1,0,0|2,0,0]=4 4093 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,1,0,1,0,0|2,0,0]=4 4094 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,1,0,1,0,0|2,0,0]=4 4095 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,1,0,1,0,0|2,0,0]=4 4096 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,1,0,1,0,0|2,0,0]=4 4097 B9R1.100 CC(NCC=O)C1CC1 2230a_100000700016_200015260668 [0,1,0,1,0,0|2,0,0]=4 4098 B9R1.100 CC(NCC=O)C1CC1 34a_100000700016_200009817547 [0,1,0,1,0,0|2,0,0]=4 4099 B9R1.100 CC(OCC=O)C1CC1 34a_100000744524_200009817547 [0,1,0,1,0,0|2,0,0]=4 4100 B9R1.100 CC(OCC=O)C1CC1 7a_100000744524_200015260668 [0,1,0,1,0,0|2,0,0]=4 4101 B9R1.100 CCOC[C@H](N)C1CC1 34a_100020623730_100000210202 [0,1,0,1,0,0|1,0,1]=4 4102 B9R1.100 N[C@@H](COCF)C1CC1 34a_100020623730_100015361967 [0,1,0,1,0,0|1,0,1]=4