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|3,0,1]=4 16 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.4 CC#CCNC(C)C 2230a_100000685387_100000210206 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.4 CC#CCNC(C)C 2230a_100138425928_100000748600 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.4 CC#CCNC(C)C 34a_100000685387_100000210206 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.4 CC#CCNC(C)C 34a_100138425928_100000748600 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.4 CC#CCOC(C)C 34a_100000212225_100000748600 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.4 CC#CCOC(C)C 34a_100000761923_100000210206 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.4 CC#CCSC(C)C 62a_100000210206_100000748600 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.4 CC#CCSC(C)C 62a_100000748600_100000210206 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,0,0,0,0,0|3,0,0]=3 50 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,0,0,0,0,0|3,0,0]=3 51 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [0,0,0,0,0,0|3,0,0]=3 52 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [0,0,0,0,0,0|3,0,0]=3 54 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [0,0,0,0,0,0|2,0,1]=3 56 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [0,0,0,0,0,0|2,0,1]=3 57 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [0,0,0,0,0,0|2,0,1]=3 58 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [0,0,0,0,0,0|2,0,1]=3 59 B7R0.4 CC(C)CNCC#N 2230a_100000210953_100011215382 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,0,0,0,0,0|2,1,1]=4 61 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,0,0,0,0,0|2,1,1]=4 62 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,0,0,0,0,0|2,1,1]=4 66 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,0,0,0,0,0|2,1,1]=4 67 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,0,0,0,0,0|2,1,1]=4 68 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,0,0,0,0,0|2,1,1]=4 69 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,0,0,0,0,0|2,1,1]=4 70 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,0,0,0,0,0|2,1,1]=4 71 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [0,0,0,0,0,0|3,0,1]=4 73 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [0,0,0,0,0,0|3,0,1]=4 74 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,0,0,0,0,0|2,1,1]=4 75 B7R0.4 CC(C)CSCC#N 62a_100000210624_100011215382 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.4 CC(C)CSCC#N 62a_100011215382_100000210760 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,0,0,0,0,0|2,1,1]=4 78 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,0,0,0,0,0|2,1,1]=4 79 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,0,0,0,0,0|2,1,1]=4 82 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,0,0,0,0,0|2,1,1]=4 83 B7R0.4 CC(C)NCCC#N 2230a_100138425928_100011215226 [0,0,0,0,0,0|3,0,1]=4 84 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [0,0,0,0,0,0|3,0,1]=4 85 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [0,0,0,0,0,0|3,0,1]=4 87 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [0,0,0,0,0,0|3,0,1]=4 88 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,0,0,0,0,0|2,1,1]=4 89 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,0,0,0,0,0|2,1,1]=4 90 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [0,0,0,0,0,0|4,0,0]=4 91 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [0,0,0,0,0,0|3,0,1]=4 92 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [0,0,0,0,0,0|3,0,1]=4 93 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [0,0,0,0,0,0|3,0,1]=4 94 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [0,0,0,0,0,0|3,0,1]=4 95 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [0,0,0,0,0,0|3,0,1]=4 96 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [0,0,0,0,0,0|2,1,1]=4 97 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [0,0,0,0,0,0|4,0,0]=4 98 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [0,0,0,0,0,0|4,0,0]=4 99 B7R0.4 CC(C)OCCON 34a_100000700252_100000210206 [0,0,0,0,0,0|4,0,0]=4 100 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [0,0,0,0,0,0|4,0,0]=4 101 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [0,0,0,0,0,0|4,0,0]=4 102 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [0,0,0,0,0,0|4,0,0]=4 103 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [0,0,0,0,0,0|4,0,0]=4 104 B7R0.4 CC(C)OCSCF 62a_100000709892_100015361967 [0,0,0,0,0,0|3,0,1]=4 105 B7R0.4 CC(C)OCSCF 62a_100015361967_100000709892 [0,0,0,0,0,0|3,0,1]=4 106 B7R0.4 CC(C)SCCC#N 62a_100000210206_100011215226 [0,0,0,0,0,0|3,0,1]=4 107 B7R0.4 CC(C)SCCC#N 62a_100011215226_100000210206 [0,0,0,0,0,0|3,0,1]=4 108 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [0,0,0,0,0,0|3,0,1]=4 109 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [0,0,0,0,0,0|3,0,1]=4 110 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [0,0,0,0,0,0|2,1,1]=4 111 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [0,0,0,0,0,0|2,1,1]=4 112 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [0,0,0,0,0,0|4,0,0]=4 113 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [0,0,0,0,0,0|4,0,0]=4 114 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [0,0,0,0,0,0|4,0,0]=4 115 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [0,0,0,0,0,0|4,0,0]=4 116 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [0,0,0,0,0,0|4,0,0]=4 117 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [0,0,0,0,0,0|4,0,0]=4 118 B7R0.4 CC(C)SCSC#N 62a_100000210206_100000211825 [0,0,0,0,0,0|3,0,1]=4 119 B7R0.4 CC(C)SCSC#N 62a_100000211825_100000210206 [0,0,0,0,0,0|3,0,1]=4 120 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,0,0,0,0,0|4,0,0]=4 121 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,0,0,0,0,0|4,0,0]=4 122 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,0,0,0,0,0|3,0,1]=4 123 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,0,0,0,0,0|3,0,1]=4 124 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [0,0,0,0,0,0|3,0,1]=4 125 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [0,0,0,0,0,0|3,0,1]=4 126 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [0,0,0,0,0,0|3,0,1]=4 127 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [0,0,0,0,0,0|3,0,1]=4 128 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [0,0,0,0,0,0|3,0,1]=4 129 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,0,0,0,0,0|3,0,1]=4 131 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,0,0,0,0,0|3,0,1]=4 132 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,0,0,0,0,0|3,0,1]=4 133 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,0,0,0,0,0|3,0,1]=4 134 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,0,0,0,0,0|3,0,1]=4 135 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,0,0,0,0,0|3,0,1]=4 136 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [0,0,0,0,0,0|3,0,1]=4 137 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [0,0,0,0,0,0|3,0,1]=4 138 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [0,0,0,0,0,0|3,0,1]=4 139 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [0,0,0,0,0,0|3,0,1]=4 140 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,0,0,0,0,0|3,0,1]=4 141 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,0,0,0,0,0|3,0,1]=4 142 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,0,0,0,0,0|3,0,1]=4 143 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [0,0,0,0,0,0|3,0,1]=4 144 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [0,0,0,0,0,0|3,0,1]=4 145 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,0,0,0,0,0|3,0,1]=4 146 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,0,0,0,0,0|3,0,1]=4 147 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,0,0,0,0,0|3,0,1]=4 148 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,0,0,0,0,0|3,0,1]=4 149 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,0,0,0,0,0|3,0,1]=4 150 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,0,0,0,0,0|3,0,1]=4 151 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,0,0,0,0,0|3,0,1]=4 152 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [0,0,0,0,0,0|1,0,2]=3 153 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [0,0,0,0,0,0|1,0,2]=3 154 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,0,0,0,0,0|2,0,2]=4 155 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,0,0,0,0,0|2,0,2]=4 156 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [0,0,0,0,0,0|2,0,2]=4 157 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [0,0,0,0,0,0|3,0,1]=4 158 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [0,0,0,0,0,0|2,0,1]=3 159 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [0,0,0,0,0,0|2,0,1]=3 160 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [0,0,0,0,0,0|2,0,1]=3 161 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,0,0,0,0,0|3,0,1]=4 162 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [0,0,0,0,0,0|3,0,1]=4 163 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [0,0,0,0,0,0|3,0,1]=4 164 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,0,0,0,0,0|3,0,1]=4 165 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [0,0,0,0,0,0|3,0,1]=4 166 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [0,0,0,0,0,0|3,0,1]=4 167 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [0,0,0,0,0,0|3,0,1]=4 168 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [0,0,0,0,0,0|2,0,1]=3 169 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [0,0,0,0,0,0|2,0,1]=3 170 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,0,0,0,0,0|3,0,1]=4 171 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,0,0,0,0,0|3,0,1]=4 172 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [0,0,0,0,0,0|3,0,1]=4 173 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [0,0,0,0,0,0|3,0,1]=4 174 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [0,0,0,0,0,0|3,0,1]=4 175 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [0,0,0,0,0,0|3,0,1]=4 176 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [0,0,0,0,0,0|3,0,1]=4 177 B7R0.4 CN(C)CCCC#N 2230a_100102631434_100000687738 [0,0,0,0,0,0|3,0,1]=4 178 B7R0.4 CN(C)CCCC#N 269982a_100102631434_100000687738 [0,0,0,0,0,0|3,0,1]=4 179 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,0,0,0,0,0|2,1,1]=4 180 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,0,0,0,0,0|2,1,1]=4 181 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [0,0,0,0,0,0|3,0,1]=4 182 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [0,0,0,0,0,0|3,0,1]=4 183 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [0,0,0,0,0,0|2,1,1]=4 184 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [0,0,0,0,0,0|2,1,1]=4 185 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [0,0,0,0,0,0|2,1,1]=4 186 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [0,0,0,0,0,0|2,1,1]=4 187 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [0,0,0,0,0,0|4,0,0]=4 188 B7R0.4 CN(C)CCSC#N 269982a_100102631434_100000034367 [0,0,0,0,0,0|3,0,1]=4 189 B7R0.4 CN(C)CCSCF 62a_100015361967_100000755713 [0,0,0,0,0,0|3,0,1]=4 190 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [0,0,0,0,0,0|2,1,1]=4 191 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [0,0,0,0,0,0|2,1,1]=4 192 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,0,0,0,0,0|3,0,0]=3 193 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,0,0,0,0,0|3,0,0]=3 194 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,0,0,0,0,0|3,0,0]=3 195 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,0,0,0,0,0|3,0,0]=3 196 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,0,0,0,0,0|3,0,0]=3 197 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,0,0,0,0,0|4,0,0]=4 198 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,0,0,0,0,0|4,0,0]=4 199 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,0,0,0,0,0|4,0,0]=4 200 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [0,0,0,0,0,0|4,0,0]=4 201 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [0,0,0,0,0,0|4,0,0]=4 202 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [0,0,0,0,0,0|4,0,0]=4 203 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [0,0,0,0,0,0|4,0,0]=4 204 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [0,0,0,0,0,0|4,0,0]=4 205 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [0,0,0,0,0,0|4,0,0]=4 206 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [0,0,0,0,0,0|4,0,0]=4 207 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [0,0,0,0,0,0|4,0,0]=4 208 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [0,0,0,0,0,0|4,0,0]=4 209 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [0,0,0,0,0,0|4,0,0]=4 210 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [0,0,0,0,0,0|4,0,0]=4 211 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [0,0,0,0,0,0|3,0,0]=3 212 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [0,0,0,0,0,0|3,0,0]=3 213 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [0,0,0,0,0,0|3,0,0]=3 214 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,0,0,0,0,0|4,0,0]=4 215 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [0,0,0,0,0,0|4,0,0]=4 216 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [0,0,0,0,0,0|4,0,0]=4 217 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [0,0,0,0,0,0|4,0,0]=4 218 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [0,0,0,0,0,0|4,0,0]=4 219 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [0,0,0,0,0,0|4,0,0]=4 220 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [0,0,0,0,0,0|4,0,0]=4 221 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [0,0,0,0,0,0|4,0,0]=4 222 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [0,0,0,0,0,0|4,0,0]=4 223 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [0,0,0,0,0,0|4,0,0]=4 224 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [0,0,0,0,0,0|4,0,0]=4 225 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [0,0,0,0,0,0|4,0,0]=4 226 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [0,0,0,0,0,0|4,0,0]=4 227 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [0,0,0,0,0,0|4,0,0]=4 228 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [0,0,0,0,0,0|4,0,0]=4 229 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [0,0,0,0,0,0|4,0,0]=4 230 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [0,0,0,0,0,0|4,0,0]=4 231 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [0,0,0,0,0,0|4,0,0]=4 232 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [0,0,0,0,0,0|4,0,0]=4 233 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [0,0,0,0,0,0|4,0,0]=4 234 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [0,0,0,0,0,0|4,0,0]=4 235 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,0,0,0,0,0|4,0,0]=4 236 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [0,0,0,0,0,0|4,0,0]=4 237 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [0,0,0,0,0,0|4,0,0]=4 238 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [0,0,0,0,0,0|3,0,0]=3 239 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [0,0,0,0,0,0|3,0,0]=3 240 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,0,0,0,0,0|4,0,0]=4 241 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,0,0,0,0,0|4,0,0]=4 242 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [0,0,0,0,0,0|4,0,0]=4 243 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [0,0,0,0,0,0|4,0,0]=4 244 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [0,0,0,0,0,0|4,0,0]=4 245 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [0,0,0,0,0,0|4,0,0]=4 246 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [0,0,0,0,0,0|4,0,0]=4 247 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [0,0,0,0,0,0|4,0,0]=4 248 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [0,0,0,0,0,0|4,0,0]=4 249 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [0,0,0,0,0,0|4,0,0]=4 250 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [0,0,0,0,0,0|4,0,0]=4 251 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [0,0,0,0,0,0|4,0,0]=4 252 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [0,0,0,0,0,0|4,0,0]=4 253 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [0,0,0,0,0,0|4,0,0]=4 254 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [0,0,0,0,0,0|4,0,0]=4 255 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,0,0,0,0,0|4,0,0]=4 256 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,0,0,0,0,0|4,0,0]=4 257 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [0,0,0,0,0,0|4,0,0]=4 258 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [0,0,0,0,0,0|4,0,0]=4 259 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [0,0,0,0,0,0|4,0,0]=4 260 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [0,0,0,0,0,0|3,0,1]=4 261 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [0,0,0,0,0,0|3,0,1]=4 262 B6R0.4 C#CCCN(C)C 2230a_100102631434_100000688953 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.4 C#CCCN(C)C 269982a_100102631434_100000730999 [1,0,0,0,0,0|2,0,1]=4 264 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [1,0,0,0,0,0|2,0,1]=4 265 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [1,0,0,0,0,0|2,0,1]=4 266 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [1,0,0,0,0,0|2,0,1]=4 267 B6R0.4 C#CCOC(C)C 34a_100000210247_100000210206 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.4 C#CCOC(C)C 34a_100000212225_100000184674 [1,0,0,0,0,0|2,0,1]=4 269 B6R0.4 C#CCSC(C)C 62a_100000038162_100000210206 [1,0,0,0,0,0|2,0,1]=4 270 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [1,0,0,0,0,0|2,0,1]=4 271 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [1,0,0,0,0,0|2,0,1]=4 272 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [1,0,0,0,0,0|2,0,1]=4 273 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [1,0,0,0,0,0|2,0,1]=4 274 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [1,0,0,0,0,0|2,0,1]=4 275 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [1,0,0,0,0,0|2,0,1]=4 276 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,0,0,0,0,0|2,0,1]=4 278 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,0,0,0,0,0|2,0,1]=4 279 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [1,0,0,0,0,0|2,0,1]=4 280 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [1,0,0,0,0,0|2,0,1]=4 281 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [1,0,0,0,0,0|2,0,1]=4 283 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [1,0,0,0,0,0|2,0,1]=4 284 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [1,0,0,0,0,0|1,0,1]=3 285 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [1,0,0,0,0,0|1,0,1]=3 286 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [1,0,0,0,0,0|1,0,1]=3 287 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [1,0,0,0,0,0|1,0,1]=3 288 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,0,0,0,0,0|1,0,2]=4 289 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [1,0,0,0,0,0|2,0,1]=4 290 B6R0.4 CC(C)CSCF 62a_100000210624_100015361967 [1,0,0,0,0,0|2,0,1]=4 291 B6R0.4 CC(C)CSCF 62a_100015361967_100000210760 [1,0,0,0,0,0|2,0,1]=4 292 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [1,0,0,0,0,0|2,0,1]=4 293 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,0,0,0,0,0|1,1,1]=4 294 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,0,0,0,0,0|1,1,1]=4 295 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,0,0,0,0,0|2,0,1]=4 296 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,0,0,0,0,0|2,0,1]=4 297 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,0,0,0,0,0|2,0,1]=4 298 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,0,0,0,0,0|1,1,1]=4 299 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,0,0,0,0,0|1,1,1]=4 300 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,0,0,0,0,0|1,1,1]=4 301 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,0,0,0,0,0|1,1,1]=4 302 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,0,0,0,0,0|1,1,1]=4 303 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,0,0,0,0,0|2,0,1]=4 304 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,0,0,0,0,0|2,0,1]=4 305 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,0,0,0,0,0|2,0,1]=4 306 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,0,0,0,0,0|1,1,1]=4 307 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [1,0,0,0,0,0|2,0,1]=4 308 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [1,0,0,0,0,0|2,0,1]=4 309 B6R0.4 CC(C)SCC#N 62a_100000210206_100011215382 [1,0,0,0,0,0|2,0,1]=4 310 B6R0.4 CC(C)SCC#N 62a_100011215382_100000210206 [1,0,0,0,0,0|2,0,1]=4 311 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,0,0,0,0,0|1,1,1]=4 312 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,0,0,0,0,0|1,1,1]=4 313 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,0,0,0,0,0|2,0,1]=4 314 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,0,0,0,0,0|2,0,1]=4 315 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,0,0,0,0,0|1,1,1]=4 316 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,0,0,0,0,0|1,1,1]=4 317 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,0,0,0,0|1,0,2]=4 318 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,0,0,0,0|2,0,1]=4 319 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,0,0,0,0|2,0,1]=4 320 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [1,0,0,0,0,0|2,0,1]=4 321 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,0,0,0,0|2,0,1]=4 322 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,0,0,0,0|2,0,1]=4 323 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,0,0,0,0|2,0,1]=4 324 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,0,0,0,0|2,0,1]=4 325 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,0,0,0,0|2,0,1]=4 326 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,0,0,0,0|2,0,1]=4 327 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,0,0,0,0,0|2,0,1]=4 328 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,0,0,0,0,0|2,0,1]=4 329 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,0,0,0,0,0|2,0,1]=4 330 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,0,0,0,0,0|2,0,1]=4 331 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,0,0,0,0,0|2,0,1]=4 332 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,0,0,0,0,0|2,0,1]=4 333 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,0,0,0,0,0|1,0,2]=4 334 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,0,0,0,0,0|1,0,2]=4 335 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,0,0,0,0,0|1,0,2]=4 336 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,0,0,0,0,0|1,0,2]=4 337 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,0,0,0,0,0|2,0,1]=4 338 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,0,0,0,0,0|2,0,1]=4 339 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,0,0,0,0,0|2,0,1]=4 340 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,0,0,0,0,0|2,0,1]=4 341 B6R0.4 CN(C)CCC#N 2230a_100000184479_200000210301 [1,0,0,0,0,0|2,0,1]=4 342 B6R0.4 CN(C)CCC#N 2230a_100102631434_100011215226 [1,0,0,0,0,0|2,0,1]=4 343 B6R0.4 CN(C)CCC#N 269982a_100102631434_100011215226 [1,0,0,0,0,0|2,0,1]=4 344 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [1,0,0,0,0,0|2,0,1]=4 345 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [1,0,0,0,0,0|2,0,1]=4 346 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,0,0,0,0,0|1,1,1]=4 347 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,0,0,0,0,0|1,1,1]=4 348 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,0,0,0,0,0|1,1,1]=4 349 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,0,0,0,0,0|1,1,1]=4 350 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [1,0,0,0,0,0|2,0,1]=4 351 B6R0.4 CN([13CH3])CCC#N 2230a_100000184479_200025704644 [1,0,0,0,0,0|2,0,1]=4 352 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,0,0,0,0,0|1,1,1]=4 353 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,0,0,0,0,0|1,1,1]=4 354 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [1,0,0,0,0,0|0,0,2]=3 355 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [1,0,0,0,0,0|0,0,2]=3 356 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [1,0,0,0,0,0|0,0,2]=3 357 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [1,0,0,0,0,0|0,0,2]=3 358 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,0,0,0,0|1,0,2]=4 359 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,0,0,0,0|1,0,2]=4 360 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,0,0,0,0|1,0,2]=4 361 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,0,0,0,0|1,0,2]=4 362 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [1,0,0,0,0,0|1,0,2]=4 363 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [1,0,0,0,0,0|1,0,2]=4 364 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [1,0,0,0,0,0|1,0,2]=4 365 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [1,0,0,0,0,0|2,0,1]=4 366 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [1,0,0,0,0,0|1,0,1]=3 367 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [1,0,0,0,0,0|1,0,1]=3 368 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [1,0,0,0,0,0|1,0,1]=3 369 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,0,0,0,0|2,0,1]=4 370 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [1,0,0,0,0,0|2,0,1]=4 371 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [1,0,0,0,0,0|2,0,1]=4 372 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [1,0,0,0,0,0|2,0,1]=4 373 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [1,0,0,0,0,0|2,0,1]=4 374 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [1,0,0,0,0,0|2,0,1]=4 375 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [1,0,0,0,0,0|2,0,1]=4 376 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [1,0,0,0,0,0|2,0,1]=4 377 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,0,0,0,0,0|2,0,1]=4 378 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [1,0,0,0,0,0|2,0,1]=4 379 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [1,0,0,0,0,0|2,0,1]=4 380 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [1,0,0,0,0,0|2,0,1]=4 381 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [1,0,0,0,0,0|1,0,1]=3 382 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [1,0,0,0,0,0|1,0,1]=3 383 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,0,0,0,0|2,0,1]=4 384 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,0,0,0,0|2,0,1]=4 385 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [1,0,0,0,0,0|2,0,1]=4 386 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [1,0,0,0,0,0|2,0,1]=4 387 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [1,0,0,0,0,0|2,0,1]=4 388 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [1,0,0,0,0,0|2,0,1]=4 389 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [1,0,0,0,0,0|2,0,1]=4 390 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [1,0,0,0,0,0|2,0,1]=4 391 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [1,0,0,0,0,0|2,0,1]=4 392 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,0,0,0,0,0|2,0,1]=4 393 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,0,0,0,0,0|2,0,1]=4 394 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [1,0,0,0,0,0|2,0,1]=4 395 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [1,0,0,0,0,0|2,0,1]=4 396 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [1,0,0,0,0,0|2,0,1]=4 397 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [1,0,0,0,0,0|2,0,1]=4 398 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [1,0,0,0,0,0|2,0,1]=4 399 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [1,0,0,0,0,0|2,0,1]=4 400 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,0,0,0,0|2,0,1]=4 401 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,0,0,0,0|3,0,0]=4 402 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,0,0,0,0|3,0,0]=4 403 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,0,0,0,0|3,0,0]=4 404 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,0,0,0,0|3,0,0]=4 405 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,0,0,0,0|3,0,0]=4 406 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,0,0,0,0|3,0,0]=4 407 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,0,0,0,0|3,0,0]=4 408 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,0,0,0,0|3,0,0]=4 409 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,0,0,0,0|3,0,0]=4 410 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,0,0,0,0|3,0,0]=4 411 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,0,0,0,0|3,0,0]=4 412 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,0,0,0,0|3,0,0]=4 413 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,0,0,0,0|3,0,0]=4 414 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,0,0,0,0|3,0,0]=4 415 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,0,0,0,0|1,0,2]=4 416 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,0,0,0,0|1,0,2]=4 417 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,0,0,0,0|1,0,2]=4 418 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,0,0,0,0,0|1,0,2]=4 419 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,0,0,0,0|2,0,1]=4 420 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,0,0,0,0|2,0,1]=4 421 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,0,0,0,0|2,0,1]=4 422 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [1,0,0,0,0,0|2,0,1]=4 423 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [1,0,0,0,0,0|2,0,1]=4 424 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,0,0,0,0|2,0,1]=4 425 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,0,0,0,0|2,0,1]=4 426 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [1,0,0,0,0,0|2,0,1]=4 427 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [1,0,0,0,0,0|2,0,1]=4 428 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [0,1,0,0,0,0|2,0,1]=4 429 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [0,1,0,0,0,0|2,0,1]=4 430 B8R0.5 CC(C)CC(C)SCF 62a_100000731052_100015361967 [0,1,0,0,0,0|2,0,1]=4 431 B8R0.5 CC(C)CC(C)SCF 62a_100015361967_100000731052 [0,1,0,0,0,0|2,0,1]=4 432 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [0,1,0,0,0,0|3,0,0]=4 433 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [0,1,0,0,0,0|1,0,2]=4 434 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [0,1,0,0,0,0|1,0,2]=4 435 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [0,1,0,0,0,0|2,0,1]=4 436 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [0,1,0,0,0,0|2,0,1]=4 437 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [0,1,0,0,0,0|2,0,1]=4 438 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [0,1,0,0,0,0|2,0,1]=4 439 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [0,1,0,0,0,0|2,0,1]=4 440 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [0,1,0,0,0,0|3,0,0]=4 441 B8R0.6 CC(CO)CCNCF 34a_106354213184_100015361967 [0,1,0,0,0,0|1,0,2]=4 442 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [0,1,0,0,0,0|3,0,0]=4 443 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [0,1,0,0,0,0|3,0,0]=4 444 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [0,1,0,0,0,0|2,0,1]=4 445 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [0,1,0,0,0,0|2,0,1]=4 446 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [0,1,0,0,0,0|2,0,1]=4 447 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [0,1,0,0,0,0|2,0,1]=4 448 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [0,1,0,0,0,0|2,0,1]=4 449 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [0,1,0,0,0,0|2,0,1]=4 450 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [0,1,0,0,0,0|2,0,1]=4 451 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [0,1,0,0,0,0|2,0,1]=4 452 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [0,1,0,0,0,0|2,0,1]=4 453 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [0,1,0,0,0,0|2,0,1]=4 454 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [0,1,0,0,0,0|2,0,1]=4 455 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [0,1,0,0,0,0|2,0,1]=4 456 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [0,1,0,0,0,0|2,0,1]=4 457 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [0,1,0,0,0,0|2,0,1]=4 458 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [0,1,0,0,0,0|2,0,1]=4 459 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [0,1,0,0,0,0|2,0,1]=4 460 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,1,0,0,0,0|1,0,2]=4 461 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [0,1,0,0,0,0|1,0,2]=4 462 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [0,1,0,0,0,0|1,0,2]=4 463 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [0,1,0,0,0,0|2,0,1]=4 464 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [0,1,0,0,0,0|2,0,1]=4 465 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [0,1,0,0,0,0|2,0,1]=4 466 B8R0.6 CNC(C)CCCC#N 270004a_106832991635_200000032708 [0,1,0,0,0,0|2,0,1]=4 467 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [0,1,0,0,0,0|3,0,0]=4 468 B8R0.6 COC(C)CCOCF 7a_100000764861_100015361967 [0,1,0,0,0,0|2,0,1]=4 469 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [0,1,0,0,0,0|3,0,0]=4 470 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [0,1,0,0,0,0|3,0,0]=4 471 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [0,1,0,0,0,0|3,0,0]=4 472 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [0,1,0,0,0,0|3,0,0]=4 473 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [0,1,0,0,0,0|3,0,0]=4 474 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [0,1,0,0,0,0|3,0,0]=4 475 B8R0.7 C#CCCCNC(C)C 2230a_100138425928_100000731252 [0,1,0,0,0,0|2,0,1]=4 476 B8R0.7 C#CCCCNC(C)C 34a_100000718082_100000210206 [0,1,0,0,0,0|2,0,1]=4 477 B8R0.7 C#CCCCNC(C)C 34a_100138425928_100000695029 [0,1,0,0,0,0|2,0,1]=4 478 B8R0.7 C#CCCCOC(C)C 34a_100000212225_100000695029 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.7 C#CCCCOC(C)C 34a_100000215630_100000210206 [0,1,0,0,0,0|2,0,1]=4 480 B8R0.7 C#CCCCOC(C)C 7a_100000215630_100000210206 [0,1,0,0,0,0|2,0,1]=4 481 B8R0.7 C#CCCCSC(C)C 62a_100000210206_100011215417 [0,1,0,0,0,0|2,0,1]=4 482 B8R0.7 C#CCCCSC(C)C 62a_100011215417_100000210206 [0,1,0,0,0,0|2,0,1]=4 483 B8R0.7 C#CCCNCC(C)C 2230a_100000210953_100000688953 [0,1,0,0,0,0|2,0,1]=4 484 B8R0.7 C#CCCNCC(C)C 34a_100000210953_100000688953 [0,1,0,0,0,0|2,0,1]=4 485 B8R0.7 C#CCCNCC(C)C 34a_100000755551_100000210624 [0,1,0,0,0,0|2,0,1]=4 486 B8R0.7 C#CCCOCC(C)C 34a_100000210257_100000688953 [0,1,0,0,0,0|2,0,1]=4 487 B8R0.7 C#CCCOCC(C)C 34a_100011215631_100000210624 [0,1,0,0,0,0|2,0,1]=4 488 B8R0.7 C#CCCSCC(C)C 62a_100000210624_100000688953 [0,1,0,0,0,0|2,0,1]=4 489 B8R0.7 C#CCCSCC(C)C 62a_100000688953_100000210760 [0,1,0,0,0,0|2,0,1]=4 490 B8R0.7 C#CCNCCC(C)C 34a_100000212058_100000210312 [0,1,0,0,0,0|1,0,2]=4 491 B8R0.7 C#CCOCCC(C)C 34a_100000210247_100000210312 [0,1,0,0,0,0|2,0,1]=4 492 B8R0.7 C#CCOCCC(C)C 34a_100000210254_100000184674 [0,1,0,0,0,0|2,0,1]=4 493 B8R0.7 C#CCOCCC(C)C 7a_100000210254_100000038162 [0,1,0,0,0,0|2,0,1]=4 494 B8R0.7 C#CCSCCC(C)C 62a_100000038162_100000210312 [0,1,0,0,0,0|2,0,1]=4 495 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [0,1,0,0,0,0|2,0,1]=4 496 B8R0.7 C/C=C/CNCC(C)C 34a_100000210953_100102629194 [0,1,0,0,0,0|2,0,1]=4 497 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [0,1,0,0,0,0|2,0,1]=4 498 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [0,1,0,0,0,0|2,0,1]=4 499 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [0,1,0,0,0,0|2,0,1]=4 500 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [0,1,0,0,0,0|2,0,1]=4 501 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [0,1,0,0,0,0|2,0,1]=4 502 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [0,1,0,0,0,0|2,0,1]=4 503 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [0,1,0,0,0,0|2,0,1]=4 504 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [0,1,0,0,0,0|2,0,1]=4 505 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [0,1,0,0,0,0|2,0,1]=4 506 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [0,1,0,0,0,0|2,0,1]=4 507 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [0,1,0,0,0,0|2,0,1]=4 508 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [0,1,0,0,0,0|2,0,1]=4 509 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [0,1,0,0,0,0|2,0,1]=4 510 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [0,1,0,0,0,0|2,0,1]=4 511 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [0,1,0,0,0,0|2,0,1]=4 512 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [0,1,0,0,0,0|2,0,1]=4 513 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [0,1,0,0,0,0|2,0,1]=4 514 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [0,1,0,0,0,0|2,0,1]=4 515 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [0,1,0,0,0,0|2,0,1]=4 516 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [0,1,0,0,0,0|2,0,1]=4 517 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [0,1,0,0,0,0|2,0,1]=4 518 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [0,1,0,0,0,0|1,0,2]=4 519 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [0,1,0,0,0,0|2,0,1]=4 520 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [0,1,0,0,0,0|2,0,1]=4 521 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [0,1,0,0,0,0|2,0,1]=4 522 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [0,1,0,0,0,0|2,0,1]=4 523 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.7 C=COCCNC(C)C 2230a_100138425928_100000039644 [0,1,0,0,0,0|2,0,1]=4 525 B8R0.7 C=COCCNC(C)C 34a_100138425928_100000039644 [0,1,0,0,0,0|2,0,1]=4 526 B8R0.7 C=COCCOC(C)C 34a_100000033082_100000210206 [0,1,0,0,0,0|2,0,1]=4 527 B8R0.7 C=COCCOC(C)C 34a_100000212225_100000039644 [0,1,0,0,0,0|2,0,1]=4 528 B8R0.7 C=COCCSC(C)C 62a_100000039644_100000210206 [0,1,0,0,0,0|2,0,1]=4 529 B8R0.7 C=COCCSC(C)C 62a_100000210206_100000039644 [0,1,0,0,0,0|2,0,1]=4 530 B8R0.7 CC#CCCOC(C)C 34a_100000750427_100000210206 [0,1,0,0,0,0|2,0,1]=4 531 B8R0.7 CC#CCNCC(C)C 2230a_100000210953_100000748600 [0,1,0,0,0,0|2,0,1]=4 532 B8R0.7 CC#CCNCC(C)C 2230a_100000685387_100000210760 [0,1,0,0,0,0|2,0,1]=4 533 B8R0.7 CC#CCNCC(C)C 34a_100000210953_100000748600 [0,1,0,0,0,0|2,0,1]=4 534 B8R0.7 CC#CCNCC(C)C 34a_100000685387_100000210624 [0,1,0,0,0,0|2,0,1]=4 535 B8R0.7 CC#CCOCC(C)C 34a_100000210257_100000748600 [0,1,0,0,0,0|2,0,1]=4 536 B8R0.7 CC#CCOCC(C)C 34a_100000761923_100000210624 [0,1,0,0,0,0|2,0,1]=4 537 B8R0.7 CC#CCSCC(C)C 62a_100000210624_100000748600 [0,1,0,0,0,0|2,0,1]=4 538 B8R0.7 CC#CCSCC(C)C 62a_100000748600_100000210760 [0,1,0,0,0,0|2,0,1]=4 539 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [0,1,0,0,0,0|1,1,1]=4 540 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [0,1,0,0,0,0|1,1,1]=4 541 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [0,1,0,0,0,0|1,0,2]=4 542 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [0,1,0,0,0,0|1,0,2]=4 543 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [0,1,0,0,0,0|1,0,2]=4 544 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [0,1,0,0,0,0|2,0,1]=4 545 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [0,1,0,0,0,0|2,0,1]=4 546 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [0,1,0,0,0,0|2,0,1]=4 547 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [0,1,0,0,0,0|2,0,1]=4 548 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [0,1,0,0,0,0|1,0,2]=4 549 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [0,1,0,0,0,0|1,0,2]=4 550 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [0,1,0,0,0,0|0,1,2]=4 551 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [0,1,0,0,0,0|0,1,2]=4 552 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [0,1,0,0,0,0|0,1,2]=4 553 B8R0.7 CC(C)CCOCC#N 7a_100000210254_100011215382 [0,1,0,0,0,0|2,0,1]=4 554 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [0,1,0,0,0,0|1,1,1]=4 555 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [0,1,0,0,0,0|1,1,1]=4 556 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [0,1,0,0,0,0|2,0,1]=4 557 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [0,1,0,0,0,0|2,0,1]=4 558 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [0,1,0,0,0,0|2,0,1]=4 559 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [0,1,0,0,0,0|2,0,1]=4 560 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [0,1,0,0,0,0|1,1,1]=4 561 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [0,1,0,0,0,0|1,1,1]=4 562 B8R0.7 CC(C)CCSCC#N 62a_100000210312_100011215382 [0,1,0,0,0,0|2,0,1]=4 563 B8R0.7 CC(C)CCSCC#N 62a_100011215382_100000210312 [0,1,0,0,0,0|2,0,1]=4 564 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [0,1,0,0,0,0|1,1,1]=4 565 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [0,1,0,0,0,0|1,1,1]=4 566 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [0,1,0,0,0,0|2,0,1]=4 567 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [0,1,0,0,0,0|2,0,1]=4 568 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [0,1,0,0,0,0|1,1,1]=4 569 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [0,1,0,0,0,0|1,1,1]=4 570 B8R0.7 CC(C)CNCCC#N 2230a_100000210953_100011215226 [0,1,0,0,0,0|2,0,1]=4 571 B8R0.7 CC(C)CNCCC#N 270004a_100000720768_100000210432 [0,1,0,0,0,0|2,0,1]=4 572 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [0,1,0,0,0,0|2,0,1]=4 573 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [0,1,0,0,0,0|2,0,1]=4 574 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [0,1,0,0,0,0|2,0,1]=4 575 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [0,1,0,0,0,0|2,0,1]=4 576 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [0,1,0,0,0,0|2,0,1]=4 577 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [0,1,0,0,0,0|1,1,1]=4 578 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [0,1,0,0,0,0|1,1,1]=4 579 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [0,1,0,0,0,0|1,1,1]=4 580 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [0,1,0,0,0,0|3,0,0]=4 581 B8R0.7 CC(C)COCCCBr 34a_100011217188_100000210624 [0,1,0,0,0,0|2,0,1]=4 582 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [0,1,0,0,0,0|2,0,1]=4 583 B8R0.7 CC(C)COCCCF 34a_100000210257_100011934791 [0,1,0,0,0,0|2,0,1]=4 584 B8R0.7 CC(C)COCCCF 34a_100000759539_100000210624 [0,1,0,0,0,0|2,0,1]=4 585 B8R0.7 CC(C)COCCCN 34a_100000182051_100000210624 [0,1,0,0,0,0|2,0,1]=4 586 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [0,1,0,0,0,0|1,1,1]=4 587 B8R0.7 CC(C)COCCON 34a_100000700252_100000210624 [0,1,0,0,0,0|3,0,0]=4 588 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [0,1,0,0,0,0|3,0,0]=4 589 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [0,1,0,0,0,0|3,0,0]=4 590 B8R0.7 CC(C)CSCCC#N 62a_100000210624_100011215226 [0,1,0,0,0,0|2,0,1]=4 591 B8R0.7 CC(C)CSCCC#N 62a_100011215226_100000210760 [0,1,0,0,0,0|2,0,1]=4 592 B8R0.7 CC(C)CSCCCF 62a_100000210624_100011934791 [0,1,0,0,0,0|2,0,1]=4 593 B8R0.7 CC(C)CSCCCF 62a_100011934791_100000210760 [0,1,0,0,0,0|2,0,1]=4 594 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [0,1,0,0,0,0|1,1,1]=4 595 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [0,1,0,0,0,0|1,1,1]=4 596 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [0,1,0,0,0,0|3,0,0]=4 597 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [0,1,0,0,0,0|3,0,0]=4 598 B8R0.7 CC(C)CSCSC#N 62a_100000210624_100000211825 [0,1,0,0,0,0|2,0,1]=4 599 B8R0.7 CC(C)CSCSC#N 62a_100000211825_100000210760 [0,1,0,0,0,0|2,0,1]=4 600 B8R0.7 CC(C)NCCCC#N 2230a_100138425928_100000687738 [0,1,0,0,0,0|2,0,1]=4 601 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [0,1,0,0,0,0|1,1,1]=4 602 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [0,1,0,0,0,0|2,0,1]=4 603 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [0,1,0,0,0,0|2,0,1]=4 604 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [0,1,0,0,0,0|1,1,1]=4 605 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [0,1,0,0,0,0|1,1,1]=4 606 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [0,1,0,0,0,0|1,1,1]=4 607 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [0,1,0,0,0,0|1,1,1]=4 608 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [0,1,0,0,0,0|3,0,0]=4 609 B8R0.7 CC(C)NCCOCF 34a_100000224655_100015361967 [0,1,0,0,0,0|2,0,1]=4 610 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [0,1,0,0,0,0|2,0,1]=4 611 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [0,1,0,0,0,0|2,0,1]=4 612 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [0,1,0,0,0,0|2,0,1]=4 613 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [0,1,0,0,0,0|2,0,1]=4 614 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [0,1,0,0,0,0|2,0,1]=4 615 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [0,1,0,0,0,0|2,0,1]=4 616 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [0,1,0,0,0,0|2,0,1]=4 617 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [0,1,0,0,0,0|2,0,1]=4 618 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [0,1,0,0,0,0|1,1,1]=4 619 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [0,1,0,0,0,0|3,0,0]=4 620 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [0,1,0,0,0,0|3,0,0]=4 621 B8R0.7 CC(C)OCCNCF 34a_100000701111_100015361967 [0,1,0,0,0,0|1,0,2]=4 622 B8R0.7 CC(C)OCCOCF 34a_100000211219_100015361967 [0,1,0,0,0,0|2,0,1]=4 623 B8R0.7 CC(C)OCCOCF 7a_100000211219_100015361967 [0,1,0,0,0,0|2,0,1]=4 624 B8R0.7 CC(C)OCCSCF 62a_100000211751_100015361967 [0,1,0,0,0,0|2,0,1]=4 625 B8R0.7 CC(C)OCCSCF 62a_100015361967_100000211751 [0,1,0,0,0,0|2,0,1]=4 626 B8R0.7 CC(C)SCCCC#N 62a_100000210206_100000687738 [0,1,0,0,0,0|2,0,1]=4 627 B8R0.7 CC(C)SCCCC#N 62a_100000687738_100000210206 [0,1,0,0,0,0|2,0,1]=4 628 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [0,1,0,0,0,0|1,1,1]=4 629 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [0,1,0,0,0,0|1,1,1]=4 630 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [0,1,0,0,0,0|2,0,1]=4 631 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [0,1,0,0,0,0|2,0,1]=4 632 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [0,1,0,0,0,0|1,1,1]=4 633 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [0,1,0,0,0,0|1,1,1]=4 634 B8R0.7 CC(C)SCCNCF 34a_100000731138_100015361967 [0,1,0,0,0,0|1,0,2]=4 635 B8R0.7 CC(C)SCCOCF 34a_200011212901_100015361967 [0,1,0,0,0,0|2,0,1]=4 636 B8R0.7 CC(C)SCCOCF 7a_200011212901_100015361967 [0,1,0,0,0,0|2,0,1]=4 637 B8R0.7 CC(C)SCCSC#N 62a_100000034367_100000210206 [0,1,0,0,0,0|2,0,1]=4 638 B8R0.7 CC(C)SCCSC#N 62a_100000210206_100000034367 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.7 CC(C)SCCSCF 62a_100000730970_100015361967 [0,1,0,0,0,0|2,0,1]=4 640 B8R0.7 CC(C)SCCSCF 62a_100015361967_100000730970 [0,1,0,0,0,0|2,0,1]=4 641 B8R0.7 CC=CCNCC(C)C 2230a_100000210953_100000070051 [0,1,0,0,0,0|2,0,1]=4 642 B8R0.7 CC=CCNCC(C)C 34a_100000210953_100000070051 [0,1,0,0,0,0|2,0,1]=4 643 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [0,1,0,0,0,0|2,0,1]=4 644 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [0,1,0,0,0,0|2,0,1]=4 645 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [0,1,0,0,0,0|2,0,1]=4 646 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [0,1,0,0,0,0|2,0,1]=4 647 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [0,1,0,0,0,0|2,0,1]=4 648 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [0,1,0,0,0,0|2,0,1]=4 649 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [0,1,0,0,0,0|2,0,1]=4 650 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [0,1,0,0,0,0|2,0,1]=4 651 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [0,1,0,0,0,0|2,0,1]=4 652 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [0,1,0,0,0,0|2,0,1]=4 653 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [0,1,0,0,0,0|2,0,1]=4 654 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [0,1,0,0,0,0|2,0,1]=4 655 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [0,1,0,0,0,0|2,0,1]=4 656 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [0,1,0,0,0,0|2,0,1]=4 657 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [0,1,0,0,0,0|2,0,1]=4 658 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [0,1,0,0,0,0|2,0,1]=4 659 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [0,1,0,0,0,0|2,0,1]=4 660 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [0,1,0,0,0,0|2,0,1]=4 661 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [0,1,0,0,0,0|2,0,1]=4 662 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [0,1,0,0,0,0|2,0,1]=4 663 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [0,1,0,0,0,0|2,0,1]=4 664 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [0,1,0,0,0,0|1,0,2]=4 665 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [0,1,0,0,0,0|2,0,1]=4 666 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [0,1,0,0,0,0|2,0,1]=4 667 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [0,1,0,0,0,0|2,0,1]=4 668 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [0,1,0,0,0,0|2,0,1]=4 669 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [0,1,0,0,0,0|2,0,1]=4 670 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [0,1,0,0,0,0|1,0,2]=4 671 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [0,1,0,0,0,0|1,0,2]=4 672 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [0,1,0,0,0,0|1,0,2]=4 673 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [0,1,0,0,0,0|1,0,2]=4 674 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [0,1,0,0,0,0|1,0,2]=4 675 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [0,1,0,0,0,0|1,0,2]=4 676 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [0,1,0,0,0,0|1,0,2]=4 677 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [0,1,0,0,0,0|1,0,2]=4 678 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [0,1,0,0,0,0|1,0,2]=4 679 B8R0.7 CCNN=CCC(C)C 4a_100000756455_100000185833 [0,1,0,0,0,0|1,0,2]=4 680 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [0,1,0,0,0,0|2,0,1]=4 681 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [0,1,0,0,0,0|2,0,1]=4 682 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [0,1,0,0,0,0|2,0,1]=4 683 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [0,1,0,0,0,0|2,0,1]=4 684 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [0,1,0,0,0,0|2,0,1]=4 685 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [0,1,0,0,0,0|2,0,1]=4 686 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [0,1,0,0,0,0|2,0,1]=4 687 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [0,1,0,0,0,0|2,0,1]=4 688 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [0,1,0,0,0,0|2,0,1]=4 689 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [0,1,0,0,0,0|2,0,1]=4 690 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [0,1,0,0,0,0|2,0,1]=4 691 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [0,1,0,0,0,0|2,0,1]=4 692 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [0,1,0,0,0,0|2,0,1]=4 693 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [0,1,0,0,0,0|2,0,1]=4 694 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [0,1,0,0,0,0|2,0,1]=4 695 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [0,1,0,0,0,0|2,0,1]=4 696 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [0,1,0,0,0,0|2,0,1]=4 697 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [0,1,0,0,0,0|2,0,1]=4 698 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [0,1,0,0,0,0|2,0,1]=4 699 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [0,1,0,0,0,0|2,0,1]=4 700 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [0,1,0,0,0,0|2,0,1]=4 701 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [0,1,0,0,0,0|2,0,1]=4 702 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [0,1,0,0,0,0|2,0,1]=4 703 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [0,1,0,0,0,0|2,0,1]=4 705 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [0,1,0,0,0,0|2,0,1]=4 706 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [0,1,0,0,0,0|2,0,1]=4 707 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [0,1,0,0,0,0|2,0,1]=4 708 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [0,1,0,0,0,0|2,0,1]=4 709 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [0,1,0,0,0,0|2,0,1]=4 710 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [0,1,0,0,0,0|2,0,1]=4 711 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [0,1,0,0,0,0|2,0,1]=4 712 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [0,1,0,0,0,0|2,0,1]=4 713 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [0,1,0,0,0,0|2,0,1]=4 714 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [0,1,0,0,0,0|2,0,1]=4 715 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [0,1,0,0,0,0|2,0,1]=4 716 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [0,1,0,0,0,0|2,0,1]=4 717 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [0,1,0,0,0,0|2,0,1]=4 718 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [0,1,0,0,0,0|3,0,0]=4 719 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [0,1,0,0,0,0|3,0,0]=4 720 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [0,1,0,0,0,0|3,0,0]=4 721 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [0,1,0,0,0,0|1,1,1]=4 722 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [0,1,0,0,0,0|1,1,1]=4 723 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [0,1,0,0,0,0|1,1,1]=4 724 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [0,1,0,0,0,0|3,0,0]=4 725 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [0,1,0,0,0,0|3,0,0]=4 726 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [0,1,0,0,0,0|3,0,0]=4 727 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [0,1,0,0,0,0|3,0,0]=4 728 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [0,1,0,0,0,0|3,0,0]=4 729 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [0,1,0,0,0,0|3,0,0]=4 730 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [0,1,0,0,0,0|3,0,0]=4 731 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [0,1,0,0,0,0|3,0,0]=4 732 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [0,1,0,0,0,0|3,0,0]=4 733 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [0,1,0,0,0,0|3,0,0]=4 734 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [0,1,0,0,0,0|3,0,0]=4 735 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [0,1,0,0,0,0|3,0,0]=4 736 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [0,1,0,0,0,0|3,0,0]=4 737 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [0,1,0,0,0,0|3,0,0]=4 738 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [0,1,0,0,0,0|3,0,0]=4 739 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [0,1,0,0,0,0|3,0,0]=4 740 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [0,1,0,0,0,0|3,0,0]=4 741 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [0,1,0,0,0,0|3,0,0]=4 742 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [0,1,0,0,0,0|3,0,0]=4 743 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [0,1,0,0,0,0|3,0,0]=4 744 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [0,1,0,0,0,0|3,0,0]=4 745 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [0,1,0,0,0,0|1,1,1]=4 746 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [0,1,0,0,0,0|1,1,1]=4 747 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [0,1,0,0,0,0|1,0,2]=4 748 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [0,1,0,0,0,0|1,0,2]=4 749 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [0,1,0,0,0,0|3,0,0]=4 750 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [0,1,0,0,0,0|3,0,0]=4 751 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [0,1,0,0,0,0|3,0,0]=4 752 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [0,1,0,0,0,0|3,0,0]=4 753 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [0,1,0,0,0,0|3,0,0]=4 754 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [0,1,0,0,0,0|3,0,0]=4 755 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [0,1,0,0,0,0|3,0,0]=4 756 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [0,1,0,0,0,0|3,0,0]=4 757 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [0,1,0,0,0,0|3,0,0]=4 758 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [0,1,0,0,0,0|3,0,0]=4 759 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [0,1,0,0,0,0|3,0,0]=4 760 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [0,1,0,0,0,0|3,0,0]=4 761 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [0,1,0,0,0,0|1,0,2]=4 762 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [0,1,0,0,0,0|1,0,2]=4 763 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [0,1,0,0,0,0|1,0,2]=4 764 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [0,1,0,0,0,0|3,0,0]=4 765 B8R0.8 CC(C)C(O)CNCF 34a_100000759067_100015361967 [0,1,0,0,0,0|1,0,2]=4 766 B8R0.8 CC(C)[C@@H](N)COCF 34a_100011830312_100015361967 [0,1,0,0,0,0|2,0,1]=4 767 B8R0.8 CCNCC(O)C(C)C 2230a_100000759067_100000210202 [0,1,0,0,0,0|1,0,2]=4 768 B8R0.8 CCNCC(O)C(C)C 34a_100000759067_100000210202 [0,1,0,0,0,0|1,0,2]=4 769 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [0,1,0,0,0,0|2,0,1]=4 770 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [0,1,0,0,0,0|3,0,0]=4 771 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,1,0,0,0,0|2,0,1]=4 772 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,1,0,0,0,0|2,0,1]=4 773 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,0,0,0,0|2,0,1]=4 774 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,0,0,0,0|1,1,1]=4 775 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,1,0,0,0,0|3,0,0]=4 776 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [0,1,0,0,0,0|3,0,0]=4 777 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [0,1,0,0,0,0|3,0,0]=4 778 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [0,1,0,0,0,0|3,0,0]=4 779 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [0,1,0,0,0,0|3,0,0]=4 780 B8R0.9 CC(C)CCN(C)CF 269982a_100000742789_100015361967 [0,1,0,0,0,0|1,0,2]=4 781 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,0|2,0,1]=4 782 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,0|2,0,1]=4 783 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [0,1,0,0,0,0|1,0,2]=4 784 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [0,1,0,0,0,0|1,0,2]=4 785 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [0,1,0,0,0,0|1,0,2]=4 786 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [0,1,0,0,0,0|1,0,2]=4 787 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [0,1,0,0,0,0|1,0,2]=4 788 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [0,1,0,0,0,0|1,0,2]=4 789 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [0,1,0,0,0,0|1,0,2]=4 790 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [0,1,0,0,0,0|1,0,2]=4 791 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,0,0,0,0|3,0,0]=4 792 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,0,0,0,0|3,0,0]=4 793 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,0,0,0,0|3,0,0]=4 794 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,0,0,0,0|3,0,0]=4 795 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,1,0,0,0,0|3,0,0]=4 796 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,1,0,0,0,0|3,0,0]=4 797 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,1,0,0,0,0|3,0,0]=4 798 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,1,0,0,0,0|3,0,0]=4 799 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [0,1,0,0,0,0|3,0,0]=4 800 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [0,1,0,0,0,0|3,0,0]=4 801 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [0,1,0,0,0,0|3,0,0]=4 802 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [0,1,0,0,0,0|3,0,0]=4 803 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [0,1,0,0,0,0|3,0,0]=4 804 B8R0.21 CC(C)(C)CCOCF 7a_100000765024_100015361967 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.21 CC(C)(C)CCSCF 62a_100000755188_100015361967 [0,1,0,0,0,0|2,0,1]=4 806 B8R0.21 CC(C)(C)CCSCF 62a_100015361967_100000755188 [0,1,0,0,0,0|2,0,1]=4 807 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [0,1,0,0,0,0|3,0,0]=4 808 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [0,1,0,0,0,0|3,0,0]=4 809 B8R0.21 CC(C)(O)CCSCF 62a_100000702414_100015361967 [0,1,0,0,0,0|2,0,1]=4 810 B8R0.21 CC(C)(O)CCSCF 62a_100015361967_100000702414 [0,1,0,0,0,0|2,0,1]=4 811 B8R0.21 CCNCCC(C)(C)C 2230a_100000738805_100000210202 [0,1,0,0,0,0|1,0,2]=4 812 B8R0.21 CCNCCC(C)(C)C 2230a_100015525214_100000755188 [0,1,0,0,0,0|1,0,2]=4 813 B8R0.21 CCNCCC(C)(C)F 2230a_100016253952_100000210202 [0,1,0,0,0,0|1,0,2]=4 814 B8R0.21 CCNCCC(C)(C)O 2230a_100015525214_100000702414 [0,1,0,0,0,0|1,0,2]=4 815 B8R0.21 CCOCCC(C)(C)C 34a_100121572206_100000755188 [0,1,0,0,0,0|2,0,1]=4 816 B8R0.21 CCOCCC(C)(C)C 7a_100000765024_100000210202 [0,1,0,0,0,0|2,0,1]=4 817 B8R0.21 CCOCCC(C)(C)O 34a_100121572206_100000702414 [0,1,0,0,0,0|2,0,1]=4 818 B8R0.21 CCSCCC(C)(C)C 62a_100000210202_100000755188 [0,1,0,0,0,0|2,0,1]=4 819 B8R0.21 CCSCCC(C)(C)C 62a_100000755188_100000210202 [0,1,0,0,0,0|2,0,1]=4 820 B8R0.21 CCSCCC(C)(C)O 62a_100000210202_100000702414 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.21 CCSCCC(C)(C)O 62a_100000702414_100000210202 [0,1,0,0,0,0|2,0,1]=4 822 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [0,1,0,0,0,0|3,0,0]=4 823 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [0,1,0,0,0,0|3,0,0]=4 824 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [0,1,0,0,0,0|3,0,0]=4 825 B8R0.21 COCCCC(C)(C)O 34a_100138415774_100009888830 [0,1,0,0,0,0|3,0,0]=4 826 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [0,1,0,0,0,0|3,0,0]=4 827 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [0,1,0,0,0,0|3,0,0]=4 828 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,1,0,0,0,0|1,1,1]=4 829 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,1,0,0,0,0|1,1,1]=4 830 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,1,0,0,0,0|0,1,2]=4 831 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,1,0,0,0,0|0,1,2]=4 832 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,1,0,0,0,0|0,1,2]=4 833 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,1,0,0,0,0|0,1,2]=4 834 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,1,0,0,0,0|1,1,1]=4 835 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [0,1,0,0,0,0|3,0,0]=4 836 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [0,1,0,0,0,0|3,0,0]=4 837 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [0,1,0,0,0,0|1,0,2]=4 838 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [0,1,0,0,0,0|1,0,2]=4 839 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [0,1,0,0,0,0|2,0,1]=4 840 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [0,1,0,0,0,0|2,0,1]=4 841 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [0,1,0,0,0,0|2,0,1]=4 842 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [0,1,0,0,0,0|2,0,1]=4 843 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [0,1,0,0,0,0|2,0,1]=4 844 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,0,0,1,0,0|3,0,0]=4 845 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [0,0,0,1,0,0|1,0,2]=4 846 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [0,0,0,1,0,0|1,0,2]=4 847 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [0,0,0,1,0,0|1,0,2]=4 848 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,0,0,1,0,0|3,0,0]=4 849 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,0,0,1,0,0|3,0,0]=4 850 B8R1.1 C[C@@H]1CCN(C1)CF 269982a_100016987628_100015361967 [0,0,0,1,0,0|1,0,2]=4 851 B8R1.1 C[C@@H]1CCN(C1)CF 34a_100016987628_100015361967 [0,0,0,1,0,0|1,0,2]=4 852 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,0,0,1,0,0|3,0,0]=4 853 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,0,0,1,0,0|3,0,0]=4 854 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,0,0,1,0,0|3,0,0]=4 855 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,0,0,1,0,0|3,0,0]=4 856 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,0,0,1,0,0|3,0,0]=4 857 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,0,0,1,0,0|3,0,0]=4 858 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [0,0,0,1,0,0|2,0,1]=4 859 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [0,0,0,1,0,0|2,0,1]=4 860 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [0,0,0,1,0,0|2,0,1]=4 861 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [0,0,0,1,0,0|2,0,1]=4 862 B8R1.19 CC1(CCCN1[13CH3])C 2230a_100000761399_200025704644 [0,0,0,1,0,0|3,0,0]=4 863 B8R1.19 CC1(CCCN1[13CH3])C 269982a_100000761399_200025704644 [0,0,0,1,0,0|3,0,0]=4 864 B8R1.19 CC1(CCCN1[13CH3])C 34a_100000761399_200025704644 [0,0,0,1,0,0|3,0,0]=4 865 B8R1.19 CN1CCCC1(C)C 2230a_100000761399_200000210301 [0,0,0,1,0,0|3,0,0]=4 866 B8R1.19 CN1CCCC1(C)C 269982a_100000761399_200000210301 [0,0,0,1,0,0|3,0,0]=4 867 B8R1.19 CN1CCCC1(C)C 34a_100000761399_200000210301 [0,0,0,1,0,0|3,0,0]=4 868 B8R1.27 CC1(CC1CO[13CH3])C 34a_100000728257_200025704644 [0,0,0,1,0,0|3,0,0]=4 869 B8R1.27 CC1(CC1CO[13CH3])C 7a_100000728257_200025704644 [0,0,0,1,0,0|3,0,0]=4 870 B8R1.27 COCC1CC1(C)C 34a_100000728257_200000210301 [0,0,0,1,0,0|3,0,0]=4 871 B8R1.27 COCC1CC1(C)C 7a_100000728257_200000210301 [0,0,0,1,0,0|3,0,0]=4 872 B8R1.36 CC=NNCC1CC1 4a_100000736359_200000210099 [0,0,0,1,0,0|2,0,1]=4 873 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [0,0,0,1,0,0|1,0,2]=4 874 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [0,0,0,1,0,0|1,0,2]=4 875 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [0,0,0,1,0,0|2,0,1]=4 876 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [0,0,0,1,0,0|2,0,1]=4 877 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [0,0,0,1,0,0|2,0,1]=4 878 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [0,0,0,1,0,0|2,0,1]=4 879 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [0,0,0,1,0,0|2,0,1]=4 880 B8R1.36 FCNCCC1CC1 34a_100000764129_100015361967 [0,0,0,1,0,0|1,0,2]=4 881 B8R1.36 FCOCCC1CC1 34a_100000754188_100015361967 [0,0,0,1,0,0|2,0,1]=4 882 B8R1.36 FCOCCC1CC1 7a_100000754188_100015361967 [0,0,0,1,0,0|2,0,1]=4 883 B8R1.36 FCSCCC1CC1 62a_100000764125_100015361967 [0,0,0,1,0,0|2,0,1]=4 884 B8R1.36 FCSCCC1CC1 62a_100015361967_100000764125 [0,0,0,1,0,0|2,0,1]=4 885 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [2,0,0,0,0,0|0,0,2]=4 886 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [2,0,0,0,0,0|0,0,2]=4 887 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|1,0,1]=4 888 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|1,0,1]=4 889 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|1,0,1]=4 890 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [2,0,0,0,0,0|2,0,0]=4 891 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [2,0,0,0,0,0|2,0,0]=4 892 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [2,0,0,0,0,0|2,0,0]=4 893 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [2,0,0,0,0,0|2,0,0]=4 894 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|1,0,1]=4 895 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|1,0,1]=4 896 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|1,0,1]=4 897 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|1,0,1]=4 898 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|1,0,1]=4 899 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|1,0,1]=4 900 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [2,0,0,0,0,0|1,0,1]=4 901 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [2,0,0,0,0,0|1,0,1]=4 902 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [2,0,0,0,0,0|1,0,1]=4 903 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|1,0,1]=4 904 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|1,0,1]=4 905 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [2,0,0,0,0,0|1,0,1]=4 906 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [2,0,0,0,0,0|1,0,1]=4 907 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [2,0,0,0,0,0|2,0,0]=4 908 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [2,0,0,0,0,0|2,0,0]=4 909 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [2,0,0,0,0,0|1,1,0]=4 910 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [2,0,0,0,0,0|1,1,0]=4 911 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [2,0,0,0,0,0|1,1,0]=4 912 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [2,0,0,0,0,0|1,1,0]=4 913 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [2,0,0,0,0,0|1,1,0]=4 914 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [2,0,0,0,0,0|1,1,0]=4 915 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [2,0,0,0,0,0|0,0,2]=4 916 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [2,0,0,0,0,0|0,0,2]=4 917 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [2,0,0,0,0,0|0,0,2]=4 918 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [2,0,0,0,0,0|0,0,2]=4 919 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [2,0,0,0,0,0|0,0,2]=4 920 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [2,0,0,0,0,0|0,0,2]=4 921 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|1,0,1]=4 922 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|1,0,1]=4 923 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|1,0,1]=4 924 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|1,0,1]=4 925 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|0,0,2]=4 926 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|0,0,2]=4 927 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|0,0,2]=4 928 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|0,0,2]=4 929 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|0,0,2]=4 930 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|0,0,2]=4 931 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|0,0,2]=4 932 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|1,0,1]=4 933 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|1,0,1]=4 934 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|1,0,1]=4 935 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|1,0,1]=4 936 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|1,0,1]=4 937 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|1,0,1]=4 938 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|1,0,1]=4 939 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|1,0,1]=4 940 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|1,0,1]=4 941 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [1,1,0,0,0,0|0,0,2]=4 942 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,1,0,0,0,0|1,0,1]=4 943 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,1,0,0,0,0|1,0,1]=4 944 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [1,1,0,0,0,0|1,0,1]=4 945 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [1,1,0,0,0,0|1,0,1]=4 946 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [1,1,0,0,0,0|0,0,2]=4 947 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [1,1,0,0,0,0|0,0,2]=4 948 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [1,1,0,0,0,0|0,0,2]=4 949 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [1,1,0,0,0,0|0,0,2]=4 950 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,1,0,0,0,0|1,0,1]=4 951 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,1,0,0,0,0|1,0,1]=4 952 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,1,0,0,0,0|1,0,1]=4 953 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [1,1,0,0,0,0|1,0,1]=4 954 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [1,1,0,0,0,0|1,0,1]=4 955 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [1,1,0,0,0,0|1,0,1]=4 956 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [1,1,0,0,0,0|1,0,1]=4 957 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [1,1,0,0,0,0|1,0,1]=4 958 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [1,1,0,0,0,0|1,0,1]=4 959 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [1,1,0,0,0,0|1,0,1]=4 960 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [1,1,0,0,0,0|1,0,1]=4 961 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [1,1,0,0,0,0|1,0,1]=4 962 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [1,1,0,0,0,0|0,0,2]=4 963 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|0,0,2]=4 964 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,1,0,0,0,0|0,0,2]=4 965 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,1,0,0,0,0|0,0,2]=4 966 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,1,0,0,0,0|1,0,1]=4 967 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,1,0,0,0,0|1,0,1]=4 968 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,1,0,0,0,0|1,0,1]=4 969 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,1,0,0,0,0|1,0,1]=4 970 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,1,0,0,0,0|1,0,1]=4 971 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,1,0,0,0,0|1,0,1]=4 972 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,1,0,0,0,0|1,0,1]=4 973 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,1,0,0,0,0|1,0,1]=4 974 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,1,0,0,0,0|1,0,1]=4 975 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,1,0,0,0,0|1,0,1]=4 976 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,1,0,0,0,0|1,0,1]=4 977 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,1,0,0,0,0|1,0,1]=4 978 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,1,0,0,0,0|1,0,1]=4 979 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,1,0,0,0,0|1,0,1]=4 980 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,1,0,0,0,0|1,0,1]=4 981 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,1,0,0,0,0|1,0,1]=4 982 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,1,0,0,0,0|1,0,1]=4 983 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [1,1,0,0,0,0|1,0,1]=4 984 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [1,1,0,0,0,0|1,0,1]=4 985 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [1,1,0,0,0,0|0,0,2]=4 986 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [1,1,0,0,0,0|0,0,2]=4 987 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [1,1,0,0,0,0|1,0,1]=4 988 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [1,1,0,0,0,0|1,0,1]=4 989 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,1,0,0,0,0|1,0,1]=4 990 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,1,0,0,0,0|1,0,1]=4 991 B7R0.5 CC(C)C(O)CN[13CH3] 2230a_100000759067_200025704644 [1,1,0,0,0,0|0,0,2]=4 992 B7R0.5 CC(C)C(O)CN[13CH3] 34a_100000759067_200025704644 [1,1,0,0,0,0|0,0,2]=4 993 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [1,1,0,0,0,0|1,0,1]=4 994 B7R0.5 CNCC(O)C(C)C 2230a_100000759067_200000210301 [1,1,0,0,0,0|0,0,2]=4 995 B7R0.5 CNCC(O)C(C)C 34a_100000759067_200000210301 [1,1,0,0,0,0|0,0,2]=4 996 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [1,1,0,0,0,0|1,0,1]=4 997 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,1,0,0,0,0|0,1,1]=4 998 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,1,0,0,0,0|0,1,1]=4 999 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,1,0,0,0,0|0,1,1]=4 1000 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [1,1,0,0,0,0|0,0,2]=4 1001 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [1,1,0,0,0,0|0,0,2]=4 1002 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [1,1,0,0,0,0|0,0,2]=4 1003 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [1,1,0,0,0,0|0,0,2]=4 1004 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [1,1,0,0,0,0|0,0,2]=4 1005 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [1,1,0,0,0,0|0,0,2]=4 1006 B7R0.8 CC(C)(C)CCN[13CH3] 2230a_100000738805_200025704644 [1,1,0,0,0,0|0,0,2]=4 1007 B7R0.8 CC(C)(C)CCO[13CH3] 7a_100000765024_200025704644 [1,1,0,0,0,0|1,0,1]=4 1008 B7R0.8 CC(C)(C)CCS[13CH3] 62a_100000755188_200025704644 [1,1,0,0,0,0|1,0,1]=4 1009 B7R0.8 CC(C)(C)CCS[13CH3] 62a_200025704644_100000755188 [1,1,0,0,0,0|1,0,1]=4 1010 B7R0.8 CC(C)(F)CCN[13CH3] 2230a_100016253952_200025704644 [1,1,0,0,0,0|0,0,2]=4 1011 B7R0.8 CC(C)(O)CCS[13CH3] 62a_100000702414_200025704644 [1,1,0,0,0,0|1,0,1]=4 1012 B7R0.8 CC(C)(O)CCS[13CH3] 62a_200025704644_100000702414 [1,1,0,0,0,0|1,0,1]=4 1013 B7R0.8 CNCCC(C)(C)C 2230a_100000738805_200000210301 [1,1,0,0,0,0|0,0,2]=4 1014 B7R0.8 CNCCC(C)(C)C 2230a_106832991635_100000755188 [1,1,0,0,0,0|0,0,2]=4 1015 B7R0.8 CNCCC(C)(C)C 34a_100102657272_100000755188 [1,1,0,0,0,0|0,0,2]=4 1016 B7R0.8 CNCCC(C)(C)C 7a_106832991635_100000755188 [1,1,0,0,0,0|0,0,2]=4 1017 B7R0.8 CNCCC(C)(C)F 2230a_100016253952_200000210301 [1,1,0,0,0,0|0,0,2]=4 1018 B7R0.8 CNCCC(C)(C)O 2230a_106832991635_100000702414 [1,1,0,0,0,0|0,0,2]=4 1019 B7R0.8 CNCCC(C)(C)O 34a_100102657272_100000702414 [1,1,0,0,0,0|0,0,2]=4 1020 B7R0.8 CNCCC(C)(C)O 7a_106832991635_100000702414 [1,1,0,0,0,0|0,0,2]=4 1021 B7R0.8 COCCC(C)(C)C 34a_100138415774_100000755188 [1,1,0,0,0,0|1,0,1]=4 1022 B7R0.8 COCCC(C)(C)C 7a_100000765024_200000210301 [1,1,0,0,0,0|1,0,1]=4 1023 B7R0.8 COCCC(C)(C)O 34a_100138415774_100000702414 [1,1,0,0,0,0|1,0,1]=4 1024 B7R0.8 CSCCC(C)(C)C 62a_100000755188_200000210301 [1,1,0,0,0,0|1,0,1]=4 1025 B7R0.8 CSCCC(C)(C)C 62a_200000210301_100000755188 [1,1,0,0,0,0|1,0,1]=4 1026 B7R0.8 CSCCC(C)(C)O 62a_100000702414_200000210301 [1,1,0,0,0,0|1,0,1]=4 1027 B7R0.8 CSCCC(C)(C)O 62a_200000210301_100000702414 [1,1,0,0,0,0|1,0,1]=4 1028 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,1,0,0,0,0|1,0,1]=4 1029 B7R0.1 CNCCCN=[N+]=[N-] 2230a_100000744732_200000210301 [1,1,0,0,0,0|2,0,0]=4 1030 B7R0.1 [13CH3]NCCCN=[N+]=[N-] 2230a_100000744732_200025704644 [1,1,0,0,0,0|2,0,0]=4 1031 B9R0.47 CC(C)C(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210206 [0,2,0,0,0,0|2,0,0]=4 1032 B9R0.2 CC(C)NCCCN=[N+]=[N-] 2230a_100000744732_100000210206 [0,2,0,0,0,0|2,0,0]=4 1033 B9R0.2 CC=C=CCCOC(C)C 34a_100011020354_100000210206 [0,2,0,0,0,0|2,0,0]=4 1034 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,1,0,0|0,0,2]=4 1035 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,1,0,0|0,0,2]=4 1036 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,1,0,0|0,0,2]=4 1037 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,1,0,0|0,0,2]=4 1038 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,1,0,0|0,0,2]=4 1039 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,1,0,0|0,0,2]=4 1040 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [1,0,0,1,0,0|1,0,1]=4 1041 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [1,0,0,1,0,0|1,0,1]=4 1042 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [1,0,0,1,0,0|1,0,1]=4 1043 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [1,0,0,1,0,0|1,0,1]=4 1044 B7R1.7 CNCCC1CC1 2230a_106832991635_100000694398 [1,0,0,1,0,0|0,0,2]=4 1045 B7R1.7 CNCCC1CC1 34a_100000764129_200000210301 [1,0,0,1,0,0|0,0,2]=4 1046 B7R1.7 CNCCC1CC1 34a_100102657272_100000694398 [1,0,0,1,0,0|0,0,2]=4 1047 B7R1.7 CNCCC1CC1 7a_106832991635_100000764125 [1,0,0,1,0,0|0,0,2]=4 1048 B7R1.7 COCCC1CC1 34a_100000754188_200000210301 [1,0,0,1,0,0|1,0,1]=4 1049 B7R1.7 COCCC1CC1 34a_100138415774_100000694398 [1,0,0,1,0,0|1,0,1]=4 1050 B7R1.7 COCCC1CC1 7a_100000754188_200000210301 [1,0,0,1,0,0|1,0,1]=4 1051 B7R1.7 CSCCC1CC1 62a_100000764125_200000210301 [1,0,0,1,0,0|1,0,1]=4 1052 B7R1.7 CSCCC1CC1 62a_200000210301_100000764125 [1,0,0,1,0,0|1,0,1]=4 1053 B7R1.7 [13CH3]NCCC1CC1 34a_100000764129_200025704644 [1,0,0,1,0,0|0,0,2]=4 1054 B7R1.7 [13CH3]OCCC1CC1 34a_100000754188_200025704644 [1,0,0,1,0,0|1,0,1]=4 1055 B7R1.7 [13CH3]OCCC1CC1 7a_100000754188_200025704644 [1,0,0,1,0,0|1,0,1]=4 1056 B7R1.7 [13CH3]SCCC1CC1 62a_100000764125_200025704644 [1,0,0,1,0,0|1,0,1]=4 1057 B7R1.7 [13CH3]SCCC1CC1 62a_200025704644_100000764125 [1,0,0,1,0,0|1,0,1]=4