0 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.7 C#CCCNCC(=O)N 2230a_100000711301_100000688953 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.7 C#CCCNCC(=O)N 34a_100000755551_100000187820 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.7 C#CCCNCC(=O)[O-] 34a_100000755551_100020667443 [0,0,0,0,0,0|1,0,3]=4 11 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.7 C#CCCOCC(=O)N 34a_100011215631_100000187820 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.7 C#CCCOCC(=O)[O-] 34a_100011215631_100020667443 [0,0,0,0,0,0|1,0,3]=4 14 B8R0.7 C#CCCSCC(=O)N 62a_100000688953_100000747473 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.7 C#CCCSCC(=O)N 62a_100000747473_100000688953 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.7 C#CCCSCC(=O)[O-] 62a_100000688953_100020667443 [0,0,0,0,0,0|1,0,3]=4 17 B8R0.7 C#CCCSCC(=O)[O-] 62a_100020667443_100000688953 [0,0,0,0,0,0|1,0,3]=4 18 B8R0.7 C#CCNCCC(=O)N 34a_100000212058_100000731001 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.7 C#CCNOCC(=O)O 269956a_100000106656_100000184674 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.7 C#CCOCCC(=O)C 1458a_100000070787_100010402529 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.7 C#CCOCCC(=O)C 1458a_100000693358_200000210301 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.7 C#CCOCCC(=O)C 34a_100000759926_100000184674 [0,0,0,0,0,0|2,0,2]=4 23 B8R0.7 C#CCOCCC(=O)C 7a_100000759926_100000038162 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.7 C#CCOCCC(=O)N 34a_100000210247_100000731001 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.7 C#CCOCCC(=O)N 34a_100000757172_100000184674 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.7 C#CCOCCC(=O)N 7a_100000757172_100000038162 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.7 C#CCOCCC(=O)[13CH3] 1458a_100000693358_200025704644 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.7 C#CCSCCC(=O)N 62a_100000038162_100000744528 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,0,0,0,0,0|1,0,2]=3 31 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [0,0,0,0,0,0|2,0,2]=4 33 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [0,0,0,0,0,0|1,0,3]=4 34 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [0,0,0,0,0,0|2,0,2]=4 35 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [0,0,0,0,0,0|2,0,2]=4 36 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100020667443_100102629194 [0,0,0,0,0,0|1,0,3]=4 37 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100102629194_100020667443 [0,0,0,0,0,0|1,0,3]=4 38 B8R0.7 C=C(Br)CCOCCC 34a_100009813270_100000210303 [0,0,0,0,0,0|3,0,0]=3 39 B8R0.7 C=C(Br)CCOCCF 34a_100009813270_100011217306 [0,0,0,0,0,0|4,0,0]=4 40 B8R0.7 C=C(Br)CCOCCO 34a_100009813270_100000211926 [0,0,0,0,0,0|4,0,0]=4 41 B8R0.7 C=C(Br)CCOCSC 34a_100009813270_100011218213 [0,0,0,0,0,0|4,0,0]=4 42 B8R0.7 C=C(C)CCNCCF 34a_100000724931_100000730704 [0,0,0,0,0,0|4,0,0]=4 43 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [0,0,0,0,0,0|4,0,0]=4 44 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [0,0,0,0,0,0|4,0,0]=4 45 B8R0.7 C=C(C)CCOCCBr 34a_100000211926_100000730704 [0,0,0,0,0,0|4,0,0]=4 46 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [0,0,0,0,0,0|3,0,0]=3 47 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [0,0,0,0,0,0|3,0,0]=3 48 B8R0.7 C=C(C)CCOCCF 34a_100000764851_100011217306 [0,0,0,0,0,0|4,0,0]=4 49 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [0,0,0,0,0,0|4,0,0]=4 50 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [0,0,0,0,0,0|4,0,0]=4 51 B8R0.7 C=C(C)CCOCSC 34a_100000764851_100011218213 [0,0,0,0,0,0|4,0,0]=4 52 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [0,0,0,0,0,0|3,0,0]=3 53 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [0,0,0,0,0,0|3,0,0]=3 54 B8R0.7 C=C(C)CCSCCF 62a_100000730704_100011217306 [0,0,0,0,0,0|4,0,0]=4 55 B8R0.7 C=C(C)CCSCCF 62a_100011217306_100000730704 [0,0,0,0,0,0|4,0,0]=4 56 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [0,0,0,0,0,0|4,0,0]=4 57 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [0,0,0,0,0,0|4,0,0]=4 58 B8R0.7 C=C(C)CCSCOC 62a_100000730704_100000766300 [0,0,0,0,0,0|4,0,0]=4 59 B8R0.7 C=C(C)CCSCOC 62a_100000766300_100000730704 [0,0,0,0,0,0|4,0,0]=4 60 B8R0.7 C=C(C)CCSCSC 62a_100000730704_100011218213 [0,0,0,0,0,0|4,0,0]=4 61 B8R0.7 C=C(C)CCSCSC 62a_100011218213_100000730704 [0,0,0,0,0,0|4,0,0]=4 62 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [0,0,0,0,0,0|3,0,0]=3 63 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [0,0,0,0,0,0|3,0,0]=3 64 B8R0.7 C=C(C)CNCCCF 2230a_100015189416_100000748629 [0,0,0,0,0,0|4,0,0]=4 65 B8R0.7 C=C(C)CNCCCF 34a_100015189416_100000748629 [0,0,0,0,0,0|4,0,0]=4 66 B8R0.7 C=C(C)CNCCOC 2230a_100000209980_100000748629 [0,0,0,0,0,0|4,0,0]=4 67 B8R0.7 C=C(C)CNCCSC 2230a_100020590264_100000748629 [0,0,0,0,0,0|4,0,0]=4 68 B8R0.7 C=C(C)COCCCBr 34a_100011217188_100000748629 [0,0,0,0,0,0|4,0,0]=4 69 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [0,0,0,0,0,0|3,0,0]=3 70 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [0,0,0,0,0,0|3,0,0]=3 71 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [0,0,0,0,0,0|3,0,0]=3 72 B8R0.7 C=C(C)COCCCCl 34a_100000230001_100000748629 [0,0,0,0,0,0|4,0,0]=4 73 B8R0.7 C=C(C)COCCCF 34a_100000210245_100011934791 [0,0,0,0,0,0|4,0,0]=4 74 B8R0.7 C=C(C)COCCCF 34a_100000759539_100000748629 [0,0,0,0,0,0|4,0,0]=4 75 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [0,0,0,0,0,0|4,0,0]=4 76 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [0,0,0,0,0,0|4,0,0]=4 77 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [0,0,0,0,0,0|4,0,0]=4 78 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [0,0,0,0,0,0|4,0,0]=4 79 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [0,0,0,0,0,0|4,0,0]=4 80 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [0,0,0,0,0,0|4,0,0]=4 81 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [0,0,0,0,0,0|4,0,0]=4 82 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [0,0,0,0,0,0|3,0,0]=3 83 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [0,0,0,0,0,0|3,0,0]=3 84 B8R0.7 C=C(C)CSCCCF 62a_100000748629_100011934791 [0,0,0,0,0,0|4,0,0]=4 85 B8R0.7 C=C(C)CSCCCF 62a_100011934791_100000211660 [0,0,0,0,0,0|4,0,0]=4 86 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [0,0,0,0,0,0|4,0,0]=4 87 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [0,0,0,0,0,0|4,0,0]=4 88 B8R0.7 C=C(C)CSCCOC 62a_100000233755_100000211660 [0,0,0,0,0,0|4,0,0]=4 89 B8R0.7 C=C(C)CSCCOC 62a_100000748629_100000233755 [0,0,0,0,0,0|4,0,0]=4 90 B8R0.7 C=C(C)CSCCSC 62a_100000212216_100000211660 [0,0,0,0,0,0|4,0,0]=4 91 B8R0.7 C=C(C)CSCCSC 62a_100000748629_100000751147 [0,0,0,0,0,0|4,0,0]=4 92 B8R0.7 C=C(C)CSCOCC 62a_100000739092_100000211660 [0,0,0,0,0,0|4,0,0]=4 93 B8R0.7 C=C(C)CSCOCC 62a_100000748629_100000739092 [0,0,0,0,0,0|4,0,0]=4 94 B8R0.7 C=C(F)CNCCCC 2230a_100000102301_100009893438 [0,0,0,0,0,0|3,0,0]=3 95 B8R0.7 C=C(F)CNCCCC 7a_106832991798_100000042424 [0,0,0,0,0,0|3,0,0]=3 96 B8R0.7 C=C(F)CNCCCF 2230a_100015189416_100009893438 [0,0,0,0,0,0|4,0,0]=4 97 B8R0.7 C=C(F)CNCCCF 34a_100015189416_100009893438 [0,0,0,0,0,0|4,0,0]=4 98 B8R0.7 C=C(F)CNCCOC 2230a_100000209980_100009893438 [0,0,0,0,0,0|4,0,0]=4 99 B8R0.7 C=C(F)CNCCSC 2230a_100020590264_100009893438 [0,0,0,0,0,0|4,0,0]=4 100 B8R0.7 C=C(F)COCCCBr 34a_100011217188_100009893438 [0,0,0,0,0,0|4,0,0]=4 101 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [0,0,0,0,0,0|3,0,0]=3 102 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [0,0,0,0,0,0|3,0,0]=3 103 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [0,0,0,0,0,0|3,0,0]=3 104 B8R0.7 C=C(F)COCCCCl 34a_100000230001_100009893438 [0,0,0,0,0,0|4,0,0]=4 105 B8R0.7 C=C(F)COCCCF 34a_100000759539_100009893438 [0,0,0,0,0,0|4,0,0]=4 106 B8R0.7 C=C(F)COCCCF 34a_200010262243_100011934791 [0,0,0,0,0,0|4,0,0]=4 107 B8R0.7 C=C(F)COCCCN 34a_100000182051_100009893438 [0,0,0,0,0,0|4,0,0]=4 108 B8R0.7 C=C(F)COCCCO 34a_200010262243_100000230001 [0,0,0,0,0,0|4,0,0]=4 109 B8R0.7 C=C(F)COCCOC 34a_100000210237_100009893438 [0,0,0,0,0,0|4,0,0]=4 110 B8R0.7 C=C(F)COCCOC 34a_200010262243_100011201679 [0,0,0,0,0,0|4,0,0]=4 111 B8R0.7 C=C(F)COCCSC 34a_100000230434_100009893438 [0,0,0,0,0,0|4,0,0]=4 112 B8R0.7 C=C(F)COCCSC 34a_200010262243_100000212216 [0,0,0,0,0,0|4,0,0]=4 113 B8R0.7 C=C(F)COCCSC 7a_100000230434_100000042424 [0,0,0,0,0,0|4,0,0]=4 114 B8R0.7 C=C(F)CSCCCC 62a_100000042424_100000210210 [0,0,0,0,0,0|3,0,0]=3 115 B8R0.7 C=C(F)CSCCCC 62a_100000210211_100000042424 [0,0,0,0,0,0|3,0,0]=3 116 B8R0.7 C=C(F)CSCCCF 62a_100000042424_100011934791 [0,0,0,0,0,0|4,0,0]=4 117 B8R0.7 C=C(F)CSCCCF 62a_100011934791_100000042424 [0,0,0,0,0,0|4,0,0]=4 118 B8R0.7 C=C(F)CSCCCO 62a_100000042424_100011215043 [0,0,0,0,0,0|4,0,0]=4 119 B8R0.7 C=C(F)CSCCCO 62a_100011215043_100000042424 [0,0,0,0,0,0|4,0,0]=4 120 B8R0.7 C=C(F)CSCCOC 62a_100000042424_100000233755 [0,0,0,0,0,0|4,0,0]=4 121 B8R0.7 C=C(F)CSCCOC 62a_100000233755_100000042424 [0,0,0,0,0,0|4,0,0]=4 122 B8R0.7 C=C(F)CSCCSC 62a_100000042424_100000751147 [0,0,0,0,0,0|4,0,0]=4 123 B8R0.7 C=C(F)CSCCSC 62a_100000212216_100000042424 [0,0,0,0,0,0|4,0,0]=4 124 B8R0.7 C=C(F)CSCOCC 62a_100000042424_100000739092 [0,0,0,0,0,0|4,0,0]=4 125 B8R0.7 C=C(F)CSCOCC 62a_100000739092_100000042424 [0,0,0,0,0,0|4,0,0]=4 126 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,0,0,0,0,0|1,0,2]=3 127 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,0,0,0,0,0|1,0,2]=3 128 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,0,0,0,0,0|1,0,2]=3 129 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,0,0,0,0,0|2,0,2]=4 130 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,0,0,0,0,0|2,0,2]=4 131 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,0,0,0,0,0|2,0,2]=4 132 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,0,0,0,0,0|2,0,2]=4 133 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [0,0,0,0,0,0|2,0,2]=4 134 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [0,0,0,0,0,0|2,0,2]=4 135 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,0,0,0,0,0|1,0,2]=3 136 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,0,0,0,0,0|2,0,2]=4 137 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [0,0,0,0,0,0|2,0,2]=4 138 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [0,0,0,0,0,0|1,0,3]=4 139 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [0,0,0,0,0,0|2,0,2]=4 140 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [0,0,0,0,0,0|2,0,2]=4 141 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [0,0,0,0,0,0|1,0,3]=4 142 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [0,0,0,0,0,0|1,0,3]=4 143 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [0,0,0,0,0,0|2,0,2]=4 144 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [0,0,0,0,0,0|2,0,2]=4 145 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,0,0,0,0,0|2,0,2]=4 146 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,0,0,0,0,0|2,0,2]=4 147 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,0,0,0,0,0|2,0,2]=4 148 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [0,0,0,0,0,0|2,0,2]=4 149 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [0,0,0,0,0,0|2,0,2]=4 150 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [0,0,0,0,0,0|2,0,2]=4 151 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,0,0,0,0,0|2,0,2]=4 152 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,0,0,0,0,0|2,0,2]=4 153 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,0,0,0,0,0|2,0,2]=4 154 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [0,0,0,0,0,0|2,0,2]=4 155 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [0,0,0,0,0,0|2,0,2]=4 156 B8R0.7 CC#CCNCC(=O)N 2230a_100000685387_100000747473 [0,0,0,0,0,0|2,0,2]=4 157 B8R0.7 CC#CCNCC(=O)N 2230a_100000711301_100000748600 [0,0,0,0,0,0|2,0,2]=4 158 B8R0.7 CC#CCNCC(=O)N 34a_100000685387_100000187820 [0,0,0,0,0,0|2,0,2]=4 159 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,0,0,0,0,0|1,0,2]=3 160 B8R0.7 CC#CCNCC(=O)[O-] 34a_100000685387_100020667443 [0,0,0,0,0,0|1,0,3]=4 161 B8R0.7 CC#CCOCC(=O)C 34a_100000211253_100000748600 [0,0,0,0,0,0|2,0,2]=4 162 B8R0.7 CC#CCOCC(=O)N 34a_100000761923_100000187820 [0,0,0,0,0,0|2,0,2]=4 163 B8R0.7 CC#CCOCC(=O)[O-] 34a_100000761923_100020667443 [0,0,0,0,0,0|1,0,3]=4 164 B8R0.7 CC#CCSCC(=O)N 62a_100000747473_100000748600 [0,0,0,0,0,0|2,0,2]=4 165 B8R0.7 CC#CCSCC(=O)N 62a_100000748600_100000747473 [0,0,0,0,0,0|2,0,2]=4 166 B8R0.7 CC#CCSCC(=O)[O-] 62a_100000748600_100020667443 [0,0,0,0,0,0|1,0,3]=4 167 B8R0.7 CC#CCSCC(=O)[O-] 62a_100020667443_100000748600 [0,0,0,0,0,0|1,0,3]=4 168 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,0,0,0,0,0|2,0,1]=3 169 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,0,0,0,0,0|2,0,0]=2 170 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,0,0,0,0,0|2,0,0]=2 171 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,0,0,0,0,0|2,0,0]=2 172 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,0,0,0,0,0|2,0,0]=2 173 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,0,0,0,0,0|2,0,0]=2 174 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [0,0,0,0,0,0|4,0,0]=4 175 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,0,0,0,0,0|3,0,0]=3 176 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,0,0,0,0,0|3,0,0]=3 177 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,0,0,0,0,0|3,0,0]=3 178 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,0,0,0,0,0|3,0,0]=3 179 B8R0.7 CC(=O)CCOCC#N 1458a_100000070787_200000047693 [0,0,0,0,0,0|3,0,1]=4 180 B8R0.7 CC(=O)CCOCC#N 7a_100000759926_100011215382 [0,0,0,0,0,0|3,0,1]=4 181 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,0,0,0,0,0|3,0,1]=4 182 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,0,0,0,0,0|3,0,1]=4 183 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,0,0,0,0,0|3,0,0]=3 184 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,0,0,0,0,0|3,0,0]=3 185 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,0,0,0,0,0|3,0,0]=3 186 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,0,0,0,0,0|3,0,0]=3 187 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,0,0,0,0,0|3,0,0]=3 188 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,0,0,0,0,0|3,0,0]=3 189 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [0,0,0,0,0,0|3,0,1]=4 190 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [0,0,0,0,0,0|3,0,1]=4 191 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,0,0,0,0,0|3,0,1]=4 192 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,0,0,0,0,0|3,0,1]=4 193 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,0,0,0,0,0|3,0,0]=3 194 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,0,0,0,0,0|3,0,0]=3 195 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,0,0,0,0,0|3,0,0]=3 196 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,0,0,0,0,0|3,0,0]=3 197 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,0,0,0,0,0|3,0,0]=3 198 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,0,0,0,0,0|3,0,0]=3 199 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,0,0,0,0,0|3,0,0]=3 200 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,0,0,0,0,0|3,0,0]=3 201 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,0,0,0,0,0|3,0,0]=3 202 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,0,0,0,0,0|3,0,0]=3 203 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [0,0,0,0,0,0|4,0,0]=4 204 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [0,0,0,0,0,0|4,0,0]=4 205 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [0,0,0,0,0,0|4,0,0]=4 206 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,0,0,0,0,0|3,0,0]=3 207 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,0,0,0,0,0|3,0,0]=3 208 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [0,0,0,0,0,0|4,0,0]=4 209 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [0,0,0,0,0,0|4,0,0]=4 210 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [0,0,0,0,0,0|4,0,0]=4 211 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,0,0,0,0,0|4,0,0]=4 212 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [0,0,0,0,0,0|4,0,0]=4 213 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [0,0,0,0,0,0|4,0,0]=4 214 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [0,0,0,0,0,0|4,0,0]=4 215 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [0,0,0,0,0,0|4,0,0]=4 216 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [0,0,0,0,0,0|4,0,0]=4 217 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [0,0,0,0,0,0|4,0,0]=4 218 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,0,0,0,0,0|3,0,0]=3 219 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,0,0,0,0,0|3,0,0]=3 220 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [0,0,0,0,0,0|3,1,0]=4 221 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [0,0,0,0,0,0|3,1,0]=4 222 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [0,0,0,0,0,0|3,0,1]=4 223 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [0,0,0,0,0,0|3,0,1]=4 224 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [0,0,0,0,0,0|3,0,1]=4 225 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [0,0,0,0,0,0|3,0,1]=4 226 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [0,0,0,0,0,0|3,0,1]=4 227 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [0,0,0,0,0,0|3,0,1]=4 228 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [0,0,0,0,0,0|3,0,1]=4 229 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [0,0,0,0,0,0|3,0,1]=4 230 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [0,0,0,0,0,0|3,0,1]=4 231 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [0,0,0,0,0,0|3,0,1]=4 232 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [0,0,0,0,0,0|3,0,1]=4 233 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [0,0,0,0,0,0|3,0,1]=4 234 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [0,0,0,0,0,0|3,0,1]=4 235 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [0,0,0,0,0,0|3,0,1]=4 236 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [0,0,0,0,0,0|3,0,1]=4 237 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [0,0,0,0,0,0|3,0,1]=4 238 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [0,0,0,0,0,0|3,0,1]=4 239 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [0,0,0,0,0,0|3,0,1]=4 240 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [0,0,0,0,0,0|3,0,1]=4 241 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [0,0,0,0,0,0|3,0,1]=4 242 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [0,0,0,0,0,0|3,0,1]=4 243 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [0,0,0,0,0,0|3,0,1]=4 244 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [0,0,0,0,0,0|3,0,1]=4 245 B8R0.7 CC(O)COCCCBr 34a_100011217188_100011218427 [0,0,0,0,0,0|3,0,1]=4 246 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [0,0,0,0,0,0|3,0,1]=4 247 B8R0.7 CC(O)COCCCF 34a_100000759539_100011218427 [0,0,0,0,0,0|3,0,1]=4 248 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [0,0,0,0,0,0|3,0,1]=4 249 B8R0.7 CC(O)CSCCCF 62a_100011218427_100011934791 [0,0,0,0,0,0|3,0,1]=4 250 B8R0.7 CC(O)CSCCCF 62a_100011934791_100011218427 [0,0,0,0,0,0|3,0,1]=4 251 B8R0.7 CC(O)CSCCCO 62a_100011215043_100011218427 [0,0,0,0,0,0|3,0,1]=4 252 B8R0.7 CC(O)CSCCCO 62a_100011218427_100011215043 [0,0,0,0,0,0|3,0,1]=4 253 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,0,0,0,0,0|1,0,2]=3 254 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [0,0,0,0,0,0|2,0,2]=4 255 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [0,0,0,0,0,0|2,0,2]=4 256 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [0,0,0,0,0,0|2,0,2]=4 257 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [0,0,0,0,0,0|2,0,2]=4 258 B8R0.7 CC=CCSCC(=O)[O-] 62a_100000070051_100020667443 [0,0,0,0,0,0|1,0,3]=4 259 B8R0.7 CC=CCSCC(=O)[O-] 62a_100020667443_100000070051 [0,0,0,0,0,0|1,0,3]=4 260 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,0,0,0,0,0|1,0,2]=3 261 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,0,0,0,0,0|1,0,2]=3 262 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [0,0,0,0,0,0|3,0,1]=4 263 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,0,0,0,0,0|1,0,2]=3 264 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,0,0,0,0,0|1,0,2]=3 265 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,0,0,0,0,0|1,0,0]=1 266 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,0,0,0,0,0|1,0,0]=1 267 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,0,0,0,0,0|1,0,0]=1 268 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [0,0,0,0,0,0|3,0,0]=3 269 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [0,0,0,0,0,0|3,0,0]=3 270 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [0,0,0,0,0,0|3,0,0]=3 271 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [0,0,0,0,0,0|3,0,0]=3 272 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [0,0,0,0,0,0|3,0,0]=3 273 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [0,0,0,0,0,0|3,0,0]=3 274 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,0,0,0,0,0|2,0,0]=2 275 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,0,0,0,0,0|2,0,0]=2 276 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,0,0,0,0,0|2,0,0]=2 277 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,0,0,0,0,0|2,0,0]=2 278 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [0,0,0,0,0,0|3,0,1]=4 279 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [0,0,0,0,0,0|3,0,1]=4 280 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [0,0,0,0,0,0|3,0,1]=4 281 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [0,0,0,0,0,0|3,0,1]=4 282 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [0,0,0,0,0,0|3,0,1]=4 283 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [0,0,0,0,0,0|3,0,1]=4 284 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [0,0,0,0,0,0|3,0,1]=4 285 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [0,0,0,0,0,0|3,0,1]=4 286 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,0,0,0,0,0|2,0,0]=2 287 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,0,0,0,0,0|2,0,0]=2 288 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,0,0,0,0,0|2,0,0]=2 289 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,0,0,0,0,0|1,0,0]=1 290 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [0,0,0,0,0,0|3,0,1]=4 291 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [0,0,0,0,0,0|3,0,1]=4 292 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [0,0,0,0,0,0|3,0,1]=4 293 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [0,0,0,0,0,0|3,0,1]=4 294 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [0,0,0,0,0,0|3,0,1]=4 295 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,0,0,0,0,0|2,0,1]=3 296 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,0,0,0,0,0|2,0,1]=3 297 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,0,0,0,0,0|2,0,1]=3 298 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,0,0,0,0,0|2,0,1]=3 299 B8R0.7 CCCCNCC(F)F 2230a_100000102301_100011934356 [0,0,0,0,0,0|3,0,1]=4 300 B8R0.7 CCCCNCC(F)F 34a_100000765723_100000210210 [0,0,0,0,0,0|3,0,1]=4 301 B8R0.7 CCCCNCC(F)F 7a_106832991798_100011934356 [0,0,0,0,0,0|3,0,1]=4 302 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,0,0,0,0,0|2,0,1]=3 303 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,0,0,0,0,0|2,0,1]=3 304 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,0,0,0,0,0|3,0,0]=3 305 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,0,0,0,0,0|2,0,0]=2 306 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,0,0,0,0,0|2,0,0]=2 307 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,0,0,0,0,0|2,0,0]=2 308 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,0,0,0,0,0|2,0,0]=2 309 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,0,0,0,0,0|2,0,0]=2 310 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,0,0,0,0,0|2,0,0]=2 311 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,0,0,0,0,0|1,0,1]=2 312 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [0,0,0,0,0,0|3,0,1]=4 313 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [0,0,0,0,0,0|3,0,1]=4 314 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [0,0,0,0,0,0|3,0,1]=4 315 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [0,0,0,0,0,0|3,0,1]=4 316 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [0,0,0,0,0,0|3,0,1]=4 317 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [0,0,0,0,0,0|2,0,1]=3 318 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [0,0,0,0,0,0|2,0,1]=3 319 B8R0.7 CCCCOCC(F)F 34a_100000210227_100011934356 [0,0,0,0,0,0|3,0,1]=4 320 B8R0.7 CCCCOCC(F)F 34a_100000743014_100000210210 [0,0,0,0,0,0|3,0,1]=4 321 B8R0.7 CCCCOCC(F)F 7a_100000210227_100011934356 [0,0,0,0,0,0|3,0,1]=4 322 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [0,0,0,0,0,0|4,0,0]=4 323 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [0,0,0,0,0,0|4,0,0]=4 324 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [0,0,0,0,0,0|3,0,1]=4 325 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [0,0,0,0,0,0|3,0,1]=4 326 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [0,0,0,0,0,0|2,0,1]=3 327 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [0,0,0,0,0,0|2,0,1]=3 328 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [0,0,0,0,0,0|2,0,1]=3 329 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,0,0,0,0,0|2,0,0]=2 330 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,0,0,0,0,0|2,0,0]=2 331 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,0,0,0,0,0|2,0,0]=2 332 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,0,0,0,0,0|2,0,0]=2 333 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,0,0,0,0,0|1,0,1]=2 334 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,0,0,0,0,0|1,0,1]=2 335 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [0,0,0,0,0,0|3,0,1]=4 336 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [0,0,0,0,0,0|3,0,1]=4 337 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [0,0,0,0,0,0|2,0,1]=3 338 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [0,0,0,0,0,0|2,0,1]=3 339 B8R0.7 CCCCSCC(F)F 62a_100000210211_100011934356 [0,0,0,0,0,0|3,0,1]=4 340 B8R0.7 CCCCSCC(F)F 62a_100011934356_100000210210 [0,0,0,0,0,0|3,0,1]=4 341 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [0,0,0,0,0,0|2,0,1]=3 342 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [0,0,0,0,0,0|2,0,1]=3 343 B8R0.7 CCCCSC[N+](=O)[O-] 62a_100000210211_100000761209 [0,0,0,0,0,0|2,0,1]=3 344 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [0,0,0,0,0,0|3,0,1]=4 345 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [0,0,0,0,0,0|3,0,1]=4 346 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,0,0,0,0,0|2,0,1]=3 347 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,0,0,0,0,0|2,0,0]=2 348 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [0,0,0,0,0,0|3,0,1]=4 349 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [0,0,0,0,0,0|3,0,1]=4 350 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,0,0,0,0,0|2,0,0]=2 351 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,0,0,0,0,0|2,0,0]=2 352 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,0,0,0,0,0|2,0,0]=2 353 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,0,0,0,0,0|2,0,0]=2 354 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,0,0,0,0,0|2,0,0]=2 355 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,0,0,0,0,0|2,0,0]=2 356 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [0,0,0,0,0,0|3,0,1]=4 357 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [0,0,0,0,0,0|3,0,1]=4 358 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [0,0,0,0,0,0|3,0,1]=4 359 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [0,0,0,0,0,0|3,0,1]=4 360 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [0,0,0,0,0,0|2,0,1]=3 361 B8R0.7 CCCOCCC(F)F 34a_100103093639_100000210303 [0,0,0,0,0,0|3,0,1]=4 362 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [0,0,0,0,0,0|4,0,0]=4 363 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [0,0,0,0,0,0|4,0,0]=4 364 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [0,0,0,0,0,0|3,0,1]=4 365 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,0,0,0,0,0|3,0,0]=3 366 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [0,0,0,0,0,0|3,0,1]=4 367 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [0,0,0,0,0,0|3,0,1]=4 368 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,0,0,0,0,0|2,0,0]=2 369 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,0,0,0,0,0|2,0,0]=2 370 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,0,0,0,0,0|2,0,0]=2 371 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,0,0,0,0,0|2,0,0]=2 372 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [0,0,0,0,0,0|3,0,1]=4 373 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [0,0,0,0,0,0|3,0,1]=4 374 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [0,0,0,0,0,0|2,0,1]=3 375 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [0,0,0,0,0,0|2,0,1]=3 376 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [0,0,0,0,0,0|4,0,0]=4 377 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,0,0,0,0,0|3,0,0]=3 378 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,0,0,0,0,0|3,0,0]=3 379 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [0,0,0,0,0,0|3,0,1]=4 380 B8R0.7 CCNCCC=C(F)F 2230a_100015525214_200009816681 [0,0,0,0,0,0|3,0,1]=4 381 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,0,0,0,0,0|2,0,0]=2 382 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [0,0,0,0,0,0|3,0,1]=4 383 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [0,0,0,0,0,0|3,0,1]=4 384 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [0,0,0,0,0,0|3,0,1]=4 385 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,0,0,0,0,0|2,0,1]=3 386 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [0,0,0,0,0,0|3,0,0]=3 387 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,0,0,0,0,0|3,0,0]=3 388 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,0,0,0,0,0|3,0,0]=3 389 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,0,0,0,0,0|3,0,0]=3 390 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,0,0,0,0,0|3,0,0]=3 391 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [0,0,0,0,0,0|3,0,1]=4 392 B8R0.7 CCOCCC=C(F)F 34a_100121572206_200009816681 [0,0,0,0,0,0|3,0,1]=4 393 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,0,0,0,0,0|2,0,0]=2 394 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,0,0,0,0,0|2,0,0]=2 395 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,0,0,0,0,0|2,0,0]=2 396 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,0,0,0,0,0|2,0,0]=2 397 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,0,0,0,0,0|2,0,0]=2 398 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [0,0,0,0,0,0|3,0,1]=4 399 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [0,0,0,0,0,0|3,0,1]=4 400 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [0,0,0,0,0,0|3,0,1]=4 401 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [0,0,0,0,0,0|2,0,1]=3 402 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [0,0,0,0,0,0|4,0,0]=4 403 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [0,0,0,0,0,0|4,0,0]=4 404 B8R0.7 CCOCCC[N+](=O)[O-] 34a_200000037920_100000210202 [0,0,0,0,0,0|2,0,1]=3 405 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,0,0,0,0,0|3,0,0]=3 406 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,0,0,0,0,0|3,0,0]=3 407 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,0,0,0,0,0|3,0,0]=3 408 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,0,0,0,0,0|3,0,0]=3 409 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,0,0,0,0,0|3,0,0]=3 410 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,0,0,0,0,0|3,0,0]=3 411 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,0,0,0,0,0|3,0,0]=3 412 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,0,0,0,0,0|3,0,0]=3 413 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,0,0,0,0,0|3,0,0]=3 414 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,0,0,0,0,0|2,0,0]=2 415 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,0,0,0,0,0|3,0,0]=3 416 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,0,0,0,0,0|3,0,0]=3 417 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,0,0,0,0,0|2,0,1]=3 418 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,0,0,0,0,0|2,0,1]=3 419 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [0,0,0,0,0,0|3,0,1]=4 420 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [0,0,0,0,0,0|3,0,1]=4 421 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [0,0,0,0,0,0|3,0,1]=4 422 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [0,0,0,0,0,0|3,0,1]=4 423 B8R0.7 CCOCSC[N+](=O)[O-] 62a_100000739092_100000761209 [0,0,0,0,0,0|3,0,1]=4 424 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [0,0,0,0,0,0|3,0,1]=4 425 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [0,0,0,0,0,0|3,0,1]=4 426 B8R0.7 CCSCCC=C(F)F 62a_100000210202_200009816681 [0,0,0,0,0,0|3,0,1]=4 427 B8R0.7 CCSCCC=C(F)F 62a_200009816681_100000210202 [0,0,0,0,0,0|3,0,1]=4 428 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,0,0,0,0,0|2,0,0]=2 429 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,0,0,0,0,0|2,0,0]=2 430 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,0,0,0,0,0|2,0,0]=2 431 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,0,0,0,0,0|2,0,0]=2 432 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [0,0,0,0,0,0|3,0,1]=4 433 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [0,0,0,0,0,0|3,0,1]=4 434 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [0,0,0,0,0,0|2,0,1]=3 435 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [0,0,0,0,0,0|2,0,1]=3 436 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [0,0,0,0,0,0|4,0,0]=4 437 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,0,0,0,0,0|3,0,0]=3 438 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,0,0,0,0,0|3,0,0]=3 439 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,0,0,0,0,0|3,0,0]=3 440 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,0,0,0,0,0|3,0,0]=3 441 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,0,0,0,0,0|3,0,0]=3 442 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,0,0,0,0,0|3,0,0]=3 443 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,0,0,0,0,0|3,0,0]=3 444 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,0,0,0,0,0|3,0,0]=3 445 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,0,0,0,0,0|3,0,0]=3 446 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,0,0,0,0,0|3,0,0]=3 447 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,0,0,0,0,0|3,0,0]=3 448 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,0,0,0,0,0|3,0,0]=3 449 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [0,0,0,0,0,0|4,0,0]=4 450 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [0,0,0,0,0,0|4,0,0]=4 451 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [0,0,0,0,0,0|4,0,0]=4 452 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [0,0,0,0,0,0|4,0,0]=4 453 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [0,0,0,0,0,0|4,0,0]=4 454 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [0,0,0,0,0,0|4,0,0]=4 455 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [0,0,0,0,0,0|4,0,0]=4 456 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [0,0,0,0,0,0|4,0,0]=4 457 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [0,0,0,0,0,0|4,0,0]=4 458 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [0,0,0,0,0,0|2,0,1]=3 459 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [0,0,0,0,0,0|2,0,1]=3 460 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [0,0,0,0,0,0|2,0,1]=3 461 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,0,0,0,0,0|2,0,0]=2 462 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,0,0,0,0,0|2,0,0]=2 463 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,0,0,0,0,0|2,0,0]=2 464 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [0,0,0,0,0,0|3,0,1]=4 465 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [0,0,0,0,0,0|3,0,1]=4 466 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [0,0,0,0,0,0|3,0,1]=4 467 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,0,0,0,0,0|3,0,0]=3 468 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,0,0,0,0,0|3,0,0]=3 469 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,0,0,0,0,0|3,0,0]=3 470 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [0,0,0,0,0,0|3,1,0]=4 471 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [0,0,0,0,0,0|3,1,0]=4 472 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [0,0,0,0,0,0|3,1,0]=4 473 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,0,0,0,0,0|3,0,0]=3 474 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,0,0,0,0,0|3,0,0]=3 475 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,0,0,0,0,0|3,0,0]=3 476 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,0,0,0,0,0|3,0,0]=3 477 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,0,0,0,0,0|3,0,0]=3 478 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,0,0,0,0,0|3,0,0]=3 479 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,0,0,0,0,0|2,0,0]=2 480 B8R0.7 COCCCCB(O)O 34a_100138415774_200009817182 [0,0,0,0,0,0|2,0,1]=3 481 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,0,0,0,0,0|2,0,0]=2 482 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,0,0,0,0,0|2,0,0]=2 483 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,0,0,0,0,0|2,0,0]=2 484 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,0,0,0,0,0|2,0,0]=2 485 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [0,0,0,0,0,0|3,0,1]=4 486 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [0,0,0,0,0,0|3,0,1]=4 487 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [0,0,0,0,0,0|3,0,1]=4 488 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [0,0,0,0,0,0|4,0,0]=4 489 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [0,0,0,0,0,0|4,0,0]=4 490 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [0,0,0,0,0,0|2,0,1]=3 491 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [0,0,0,0,0,0|2,0,1]=3 492 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,0,0,0,0,0|3,0,0]=3 493 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,0,0,0,0,0|3,0,0]=3 494 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,0,0,0,0,0|3,0,0]=3 495 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,0,0,0,0,0|3,0,0]=3 496 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,0,0,0,0,0|3,0,0]=3 497 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [0,0,0,0,0,0|3,1,0]=4 498 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,0,0,0,0,0|3,0,0]=3 499 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,0,0,0,0,0|3,0,0]=3 500 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,0,0,0,0,0|3,0,0]=3 501 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,0,0,0,0,0|2,0,0]=2 502 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [0,0,0,0,0,0|3,0,1]=4 503 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [0,0,0,0,0,0|3,0,1]=4 504 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [0,0,0,0,0,0|3,0,1]=4 505 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [0,0,0,0,0,0|3,0,1]=4 506 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [0,0,0,0,0,0|4,0,0]=4 507 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,0,0,0,0,0|3,0,0]=3 508 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,0,0,0,0,0|3,0,0]=3 509 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,0,0,0,0,0|3,0,0]=3 510 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,0,0,0,0,0|3,0,0]=3 511 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,0,0,0,0,0|3,0,0]=3 512 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,0,0,0,0,0|2,0,1]=3 513 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [0,0,0,0,0,0|3,0,1]=4 514 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [0,0,0,0,0,0|3,0,1]=4 515 B8R0.7 COCCOC[N+](=O)[O-] 34a_100000210237_100000761209 [0,0,0,0,0,0|3,0,1]=4 516 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,0,0,0,0,0|3,0,0]=3 517 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,0,0,0,0,0|3,0,0]=3 518 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,0,0,0,0,0|2,0,1]=3 519 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,0,0,0,0,0|2,0,1]=3 520 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [0,0,0,0,0,0|3,0,1]=4 521 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [0,0,0,0,0,0|3,0,1]=4 522 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [0,0,0,0,0,0|3,0,1]=4 523 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [0,0,0,0,0,0|3,0,1]=4 524 B8R0.7 COCCSC[N+](=O)[O-] 62a_100000233755_100000761209 [0,0,0,0,0,0|3,0,1]=4 525 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [0,0,0,0,0,0|3,0,1]=4 526 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,0,0,0,0,0|3,0,0]=3 527 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,0,0,0,0,0|3,0,0]=3 528 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,0,0,0,0,0|3,0,0]=3 529 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,0,0,0,0,0|3,0,0]=3 530 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,0,0,0,0,0|3,0,0]=3 531 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [0,0,0,0,0,0|3,0,1]=4 532 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [0,0,0,0,0,0|3,0,1]=4 533 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [0,0,0,0,0,0|4,0,0]=4 534 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [0,0,0,0,0,0|4,0,0]=4 535 B8R0.7 CSCCCCB(O)O 62a_200000210301_200009817182 [0,0,0,0,0,0|2,0,1]=3 536 B8R0.7 CSCCCCB(O)O 62a_200009817182_200000210301 [0,0,0,0,0,0|2,0,1]=3 537 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,0,0,0,0,0|2,0,0]=2 538 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,0,0,0,0,0|2,0,0]=2 539 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [0,0,0,0,0,0|3,0,1]=4 540 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [0,0,0,0,0,0|3,0,1]=4 541 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [0,0,0,0,0,0|4,0,0]=4 542 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,0,0,0,0,0|3,0,0]=3 543 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,0,0,0,0,0|3,0,0]=3 544 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,0,0,0,0,0|3,0,0]=3 545 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,0,0,0,0,0|3,0,0]=3 546 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,0,0,0,0,0|3,0,0]=3 547 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,0,0,0,0,0|3,0,0]=3 548 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [0,0,0,0,0,0|3,1,0]=4 549 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [0,0,0,0,0,0|3,1,0]=4 550 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,0,0,0,0,0|3,0,0]=3 551 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,0,0,0,0,0|3,0,0]=3 552 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,0,0,0,0,0|3,0,0]=3 553 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,0,0,0,0,0|3,0,0]=3 554 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,0,0,0,0,0|2,0,0]=2 555 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [0,0,0,0,0,0|3,0,1]=4 556 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [0,0,0,0,0,0|3,0,1]=4 557 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [0,0,0,0,0,0|3,0,1]=4 558 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [0,0,0,0,0,0|3,0,1]=4 559 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,0,0,0,0,0|3,0,0]=3 560 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,0,0,0,0,0|3,0,0]=3 561 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,0,0,0,0,0|3,0,0]=3 562 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,0,0,0,0,0|3,0,0]=3 563 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,0,0,0,0,0|3,0,0]=3 564 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,0,0,0,0,0|2,0,1]=3 565 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [0,0,0,0,0,0|3,0,1]=4 566 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [0,0,0,0,0,0|3,0,1]=4 567 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [0,0,0,0,0,0|3,0,1]=4 568 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [0,0,0,0,0,0|3,0,1]=4 569 B8R0.7 CSCCOC[N+](=O)[O-] 34a_100000230434_100000761209 [0,0,0,0,0,0|3,0,1]=4 570 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,0,0,0,0,0|3,0,0]=3 571 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,0,0,0,0,0|3,0,0]=3 572 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,0,0,0,0,0|2,0,1]=3 573 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,0,0,0,0,0|2,0,1]=3 574 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [0,0,0,0,0,0|3,0,1]=4 575 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [0,0,0,0,0,0|3,0,1]=4 576 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [0,0,0,0,0,0|3,0,1]=4 577 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [0,0,0,0,0,0|3,0,1]=4 578 B8R0.7 CSCCSC[N+](=O)[O-] 62a_100000212216_100000761209 [0,0,0,0,0,0|3,0,1]=4 579 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [0,0,0,0,0,0|3,0,1]=4 580 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,0,0,0,0,0|3,0,0]=3 581 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,0,0,0,0,0|3,0,0]=3 582 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,0,0,0,0,0|3,0,0]=3 583 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,0,0,0,0,0|3,0,0]=3 584 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,0,0,0,0,0|3,0,0]=3 585 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,0,0,0,0,0|3,0,0]=3 586 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,0,0,0,0,0|3,0,0]=3 587 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [0,0,0,0,0,0|3,0,1]=4 588 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [0,0,0,0,0,0|3,0,1]=4 589 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [0,0,0,0,0,0|4,0,0]=4 590 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [0,0,0,0,0,0|4,0,0]=4 591 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [0,0,0,0,0,0|3,0,1]=4 592 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [0,0,0,0,0,0|3,0,1]=4 593 B8R0.7 C[C@@H](O)COCCCBr 34a_100011217188_100009817552 [0,0,0,0,0,0|3,0,1]=4 594 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [0,0,0,0,0,0|3,0,1]=4 595 B8R0.7 C[C@@H](O)COCCCF 34a_100000759539_100009817552 [0,0,0,0,0,0|3,0,1]=4 596 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [0,0,0,0,0,0|3,0,1]=4 597 B8R0.7 C[C@@H](O)CSCCCF 62a_100009817552_100011934791 [0,0,0,0,0,0|3,0,1]=4 598 B8R0.7 C[C@@H](O)CSCCCF 62a_100011934791_100009817552 [0,0,0,0,0,0|3,0,1]=4 599 B8R0.7 C[C@@H](O)CSCCCO 62a_100009817552_100011215043 [0,0,0,0,0,0|3,0,1]=4 600 B8R0.7 C[C@@H](O)CSCCCO 62a_100011215043_100009817552 [0,0,0,0,0,0|3,0,1]=4 601 B8R0.7 N#CCCNCC(=O)N 2230a_100000711301_100011215226 [0,0,0,0,0,0|3,0,1]=4 602 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,0,0,0,0,0|2,0,1]=3 603 B8R0.7 N#CCCSCC(=O)N 62a_100000747473_100011215226 [0,0,0,0,0,0|3,0,1]=4 604 B8R0.7 N#CCCSCC(=O)N 62a_100011215226_100000747473 [0,0,0,0,0,0|3,0,1]=4 605 B8R0.7 N#CCCSCC(=O)[O-] 62a_100011215226_100020667443 [0,0,0,0,0,0|2,0,2]=4 606 B8R0.7 N#CCCSCC(=O)[O-] 62a_100020667443_100011215226 [0,0,0,0,0,0|2,0,2]=4 607 B8R0.7 N#CCNOCC(=O)O 269956a_100000106656_100011215382 [0,0,0,0,0,0|3,0,1]=4 608 B8R0.7 N#CCOCCC(=O)N 7a_100000757172_100011215382 [0,0,0,0,0,0|3,0,1]=4 609 B8R0.7 N#CCSCCC(=O)N 62a_100000744528_100011215382 [0,0,0,0,0,0|3,0,1]=4 610 B8R0.7 N#CCSCCC(=O)N 62a_100011215382_100000744528 [0,0,0,0,0,0|3,0,1]=4 611 B8R0.7 N#CSCNCC(=O)O 269956a_100016091260_100000211825 [0,0,0,0,0,0|3,0,1]=4 612 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,0,0,0,0,0|3,0,0]=3 613 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,0,0,0,0,0|3,0,0]=3 614 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,0,0,0,0,0|3,0,0]=3 615 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,0,0,0,0,0|3,0,0]=3 616 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,0,0,0,0,0|3,0,0]=3 617 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,0,0,0,0,0|3,0,0]=3 618 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [0,0,0,0,0,0|3,0,1]=4 619 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [0,0,0,0,0,0|3,0,1]=4 620 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,0,0,0,0,0|3,0,0]=3 621 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,0,0,0,0,0|3,0,0]=3 622 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,0,0,0,0,0|3,0,0]=3 623 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,0,0,0,0,0|3,0,0]=3 624 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,0,0,0,0,0|3,0,0]=3 625 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [0,0,0,0,0,0|3,0,1]=4 626 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [0,0,0,0,0,0|3,0,1]=4 627 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,0,0,0,0,0|3,0,0]=3 628 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,0,0,0,0,0|3,0,0]=3 629 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,0,0,0,0,0|3,0,0]=3 630 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,0,0,0,0,0|3,0,0]=3 631 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,0,0,0,0,0|3,0,0]=3 632 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,0,0,0,0,0|3,0,0]=3 633 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,0,0,0,0,0|3,0,0]=3 634 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,0,0,0,0,0|3,0,0]=3 635 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,0,0,0,0,0|3,0,0]=3 636 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,0,0,0,0,0|3,0,0]=3 637 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,0,0,0,0,0|3,0,0]=3 638 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,0,0,0,0,0|3,0,0]=3 639 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,0,0,0,0,0|3,0,0]=3 640 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,0,0,0,0,0|3,0,0]=3 641 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,0,0,0,0,0|3,0,0]=3 642 B8R0.7 NC(=O)NCCNCF 34a_100020590234_100015361967 [0,0,0,0,0,0|4,0,0]=4 643 B8R0.7 NC(=O)NCCOCF 34a_100000181757_100015361967 [0,0,0,0,0,0|4,0,0]=4 644 B8R0.7 NC(=O)NCCSCF 62a_100015361967_200000034859 [0,0,0,0,0,0|4,0,0]=4 645 B8R0.7 NC(=O)NCCSCF 62a_200000034859_100015361967 [0,0,0,0,0,0|4,0,0]=4 646 B8R0.7 NC(=O)OCCOCF 7a_100000766696_100015361967 [0,0,0,0,0,0|4,0,0]=4 647 B8R0.7 NC(=O)OCCSCF 62a_100015361967_200011214921 [0,0,0,0,0,0|4,0,0]=4 648 B8R0.7 NC(=O)OCCSCF 62a_200011214921_100015361967 [0,0,0,0,0,0|4,0,0]=4 649 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,0,0,0,0,0|3,0,0]=3 650 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,0,0,0,0,0|2,0,1]=3 651 B8R0.7 NCCCOC[N+](=O)[O-] 34a_100000182051_100000761209 [0,0,0,0,0,0|3,0,1]=4 652 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,0,0,0,0,0|3,0,0]=3 653 B8R0.7 NOCCOCC(=O)N 34a_100000700252_100000187820 [0,0,0,0,0,0|4,0,0]=4 654 B8R0.7 NOCCOCC(=O)[O-] 34a_100000700252_100020667443 [0,0,0,0,0,0|3,0,1]=4 655 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,0,0,0,0,0|2,0,0]=2 656 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,0,0,0,0,0|2,0,0]=2 657 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,0,0,0,0,0|3,0,0]=3 658 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,0,0,0,0,0|3,0,0]=3 659 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,0,0,0,0,0|2,0,1]=3 660 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,0,0,0,0,0|2,0,1]=3 661 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,0,0,0,0,0|2,0,1]=3 662 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,0,0,0,0,0|2,0,1]=3 663 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,0,0,0,0,0|2,0,1]=3 664 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,0,0,0,0,0|2,0,1]=3 665 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,0,0,0,0,0|2,0,1]=3 666 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,0,0,0,0,0|2,0,1]=3 667 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [0,0,0,0,0,0|3,0,1]=4 668 B8R0.7 O=[N+]([O-])CCCOCF 34a_200000037920_100015361967 [0,0,0,0,0,0|3,0,1]=4 669 B8R0.7 O=[N+]([O-])CNCCCF 34a_100015189416_100000761209 [0,0,0,0,0,0|3,0,1]=4 670 B8R0.7 O=[N+]([O-])COCCCBr 34a_100011217188_100000761209 [0,0,0,0,0,0|3,0,1]=4 671 B8R0.7 O=[N+]([O-])COCCCCl 34a_100000230001_100000761209 [0,0,0,0,0,0|3,0,1]=4 672 B8R0.7 O=[N+]([O-])COCCCF 34a_100000759539_100000761209 [0,0,0,0,0,0|3,0,1]=4 673 B8R0.7 O=[N+]([O-])CSCCCF 62a_100011934791_100000761209 [0,0,0,0,0,0|3,0,1]=4 674 B8R0.7 O=[N+]([O-])CSCCCO 62a_100011215043_100000761209 [0,0,0,0,0,0|3,0,1]=4 675 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,0,0,0,0,0|2,0,0]=2 676 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [0,0,0,0,0,0|4,0,0]=4 677 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,0,0,0,0,0|3,0,0]=3 678 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,0,0,0,0,0|2,0,0]=2 679 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,0,0,0,0,0|2,0,0]=2 680 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,0,0,0,0,0|2,0,0]=2 681 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,0,0,0,0,0|2,0,0]=2 682 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [0,0,0,0,0,0|2,0,1]=3 683 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [0,0,0,0,0,0|2,0,1]=3 684 B8R0.7 [13CH3]SCCCCB(O)O 62a_200009817182_200025704644 [0,0,0,0,0,0|2,0,1]=3 685 B8R0.7 [13CH3]SCCCCB(O)O 62a_200025704644_200009817182 [0,0,0,0,0,0|2,0,1]=3 686 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,0,0,0,0,0|3,0,0]=3 687 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,0,0,0,0,0|3,0,0]=3 688 B7R0.1 C#CCCCCNC 2230a_100000706060_200000210301 [1,0,0,0,0,0|2,0,1]=4 689 B7R0.1 C#CCCCCNC 2230a_106832991635_100010269958 [1,0,0,0,0,0|2,0,1]=4 690 B7R0.1 C#CCCCCNC 34a_100000706060_200000210301 [1,0,0,0,0,0|2,0,1]=4 691 B7R0.1 C#CCCCCNC 34a_100102657272_100010269958 [1,0,0,0,0,0|2,0,1]=4 692 B7R0.1 C#CCCCCNC 7a_106832991635_100010269958 [1,0,0,0,0,0|2,0,1]=4 693 B7R0.1 C#CCCCCN[13CH3] 2230a_100000706060_200025704644 [1,0,0,0,0,0|2,0,1]=4 694 B7R0.1 C#CCCCCN[13CH3] 34a_100000706060_200025704644 [1,0,0,0,0,0|2,0,1]=4 695 B7R0.1 C#CCCCCOC 34a_100000766709_200000210301 [1,0,0,0,0,0|2,0,1]=4 696 B7R0.1 C#CCCCCOC 34a_100138415774_100010269958 [1,0,0,0,0,0|2,0,1]=4 697 B7R0.1 C#CCCCCOC 7a_100000766709_200000210301 [1,0,0,0,0,0|2,0,1]=4 698 B7R0.1 C#CCCCCO[13CH3] 34a_100000766709_200025704644 [1,0,0,0,0,0|2,0,1]=4 699 B7R0.1 C#CCCCCO[13CH3] 7a_100000766709_200025704644 [1,0,0,0,0,0|2,0,1]=4 700 B7R0.1 C#CCCCCSC 62a_100010269958_200000210301 [1,0,0,0,0,0|2,0,1]=4 701 B7R0.1 C#CCCCCSC 62a_200000210301_100010269958 [1,0,0,0,0,0|2,0,1]=4 702 B7R0.1 C#CCCCCS[13CH3] 62a_100010269958_200025704644 [1,0,0,0,0,0|2,0,1]=4 703 B7R0.1 C#CCCCCS[13CH3] 62a_200025704644_100010269958 [1,0,0,0,0,0|2,0,1]=4 704 B7R0.1 C#CCCCNCC 2230a_100015525214_100000731252 [1,0,0,0,0,0|2,0,1]=4 705 B7R0.1 C#CCCCNCC 34a_100000718082_100000210202 [1,0,0,0,0,0|2,0,1]=4 706 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,0,0,0,0,0|2,0,1]=4 707 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,0,0,0,0,0|2,0,1]=4 708 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,0,0,0,0,0|2,0,1]=4 709 B7R0.1 C#CCCCSCC 62a_100000210202_100011215417 [1,0,0,0,0,0|2,0,1]=4 710 B7R0.1 C#CCCCSCC 62a_100011215417_100000210202 [1,0,0,0,0,0|2,0,1]=4 711 B7R0.1 C#CCCNCC=O 34a_100000755551_200009817547 [1,0,0,0,0,0|1,0,2]=4 712 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [1,0,0,0,0,0|2,0,1]=4 713 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [1,0,0,0,0,0|1,0,2]=4 714 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [1,0,0,0,0,0|2,0,1]=4 715 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [1,0,0,0,0,0|2,0,1]=4 716 B7R0.1 C#CCCSCC=O 62a_100000688953_200015260668 [1,0,0,0,0,0|1,0,2]=4 717 B7R0.1 C#CCCSCC=O 62a_200015260668_100000688953 [1,0,0,0,0,0|1,0,2]=4 718 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [1,0,0,0,0,0|2,0,1]=4 719 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [1,0,0,0,0,0|2,0,1]=4 720 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [1,0,0,0,0,0|2,0,1]=4 721 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [1,0,0,0,0,0|2,0,1]=4 722 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [1,0,0,0,0,0|2,0,1]=4 723 B7R0.1 C#CCOCCCC 34a_100000210227_100000184674 [1,0,0,0,0,0|2,0,1]=4 724 B7R0.1 C#CCOCCCC 34a_100000210247_100000210210 [1,0,0,0,0,0|2,0,1]=4 725 B7R0.1 C#CCOCCCC 7a_100000210227_100000038162 [1,0,0,0,0,0|2,0,1]=4 726 B7R0.1 C#CCSCCCC 62a_100000038162_100000210210 [1,0,0,0,0,0|2,0,1]=4 727 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|2,0,1]=4 728 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [1,0,0,0,0,0|1,0,2]=4 729 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [1,0,0,0,0,0|2,0,1]=4 730 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [1,0,0,0,0,0|2,0,1]=4 731 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [1,0,0,0,0,0|1,0,2]=4 732 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [1,0,0,0,0,0|1,0,2]=4 733 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [1,0,0,0,0,0|2,0,1]=4 734 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [1,0,0,0,0,0|2,0,1]=4 735 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,0,0,0,0|2,0,0]=3 736 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,0,0,0,0|2,0,0]=3 737 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,0,0,0,0|2,0,0]=3 738 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,0,0,0,0|2,0,0]=3 739 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,0,0,0,0|2,0,0]=3 740 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,0,0,0,0|2,0,0]=3 741 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,0,0,0,0|2,0,0]=3 742 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|2,0,0]=3 743 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|2,0,0]=3 744 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|2,0,0]=3 745 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|2,0,0]=3 746 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|2,0,0]=3 747 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|2,0,0]=3 748 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|2,0,0]=3 749 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|2,0,0]=3 750 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|2,0,0]=3 751 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,0,0,0,0|2,0,0]=3 752 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,0,0,0,0|2,0,0]=3 753 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,0,0,0,0|2,0,0]=3 754 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [1,0,0,0,0,0|3,0,0]=4 755 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,0,0,0,0|2,0,0]=3 756 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,0,0,0,0|2,0,0]=3 757 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,0,0,0,0|2,0,0]=3 758 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [1,0,0,0,0,0|3,0,0]=4 759 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [1,0,0,0,0,0|3,0,0]=4 760 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,0,0,0,0|2,0,0]=3 761 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,0,0,0,0|2,0,0]=3 762 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [1,0,0,0,0,0|3,0,0]=4 763 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [1,0,0,0,0,0|3,0,0]=4 764 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [1,0,0,0,0,0|1,0,2]=4 765 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,0,0,0,0|2,0,0]=3 766 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [1,0,0,0,0,0|3,0,0]=4 767 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [1,0,0,0,0,0|3,0,0]=4 768 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [1,0,0,0,0,0|3,0,0]=4 769 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [1,0,0,0,0,0|3,0,0]=4 770 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [1,0,0,0,0,0|3,0,0]=4 771 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [1,0,0,0,0,0|3,0,0]=4 772 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [1,0,0,0,0,0|3,0,0]=4 773 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [1,0,0,0,0,0|1,0,2]=4 774 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [1,0,0,0,0,0|3,0,0]=4 775 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,0,0,0,0|2,0,0]=3 776 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,0,0,0,0|2,0,0]=3 777 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [1,0,0,0,0,0|3,0,0]=4 778 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [1,0,0,0,0,0|3,0,0]=4 779 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [1,0,0,0,0,0|3,0,0]=4 780 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [1,0,0,0,0,0|3,0,0]=4 781 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [1,0,0,0,0,0|1,0,2]=4 782 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [1,0,0,0,0,0|1,0,2]=4 783 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,0,0,0,0|2,0,0]=3 784 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,0,0,0,0|2,0,0]=3 785 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [1,0,0,0,0,0|3,0,0]=4 786 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [1,0,0,0,0,0|3,0,0]=4 787 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [1,0,0,0,0,0|3,0,0]=4 788 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [1,0,0,0,0,0|3,0,0]=4 789 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [1,0,0,0,0,0|3,0,0]=4 790 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [1,0,0,0,0,0|3,0,0]=4 791 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [1,0,0,0,0,0|3,0,0]=4 792 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [1,0,0,0,0,0|3,0,0]=4 793 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,0,0,0,0|2,0,0]=3 794 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,0,0,0,0|2,0,0]=3 795 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,0,0,0,0|2,0,0]=3 796 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [1,0,0,0,0,0|3,0,0]=4 797 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [1,0,0,0,0,0|3,0,0]=4 798 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [1,0,0,0,0,0|3,0,0]=4 799 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [1,0,0,0,0,0|3,0,0]=4 800 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [1,0,0,0,0,0|3,0,0]=4 801 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [1,0,0,0,0,0|3,0,0]=4 802 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [1,0,0,0,0,0|3,0,0]=4 803 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [1,0,0,0,0,0|3,0,0]=4 804 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [1,0,0,0,0,0|3,0,0]=4 805 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|2,0,0]=3 806 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|2,0,0]=3 807 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|2,0,0]=3 808 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [1,0,0,0,0,0|3,0,0]=4 809 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [1,0,0,0,0,0|3,0,0]=4 810 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [1,0,0,0,0,0|3,0,0]=4 811 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [1,0,0,0,0,0|3,0,0]=4 812 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [1,0,0,0,0,0|3,0,0]=4 813 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [1,0,0,0,0,0|3,0,0]=4 814 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [1,0,0,0,0,0|3,0,0]=4 815 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [1,0,0,0,0,0|3,0,0]=4 816 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [1,0,0,0,0,0|3,0,0]=4 817 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [1,0,0,0,0,0|3,0,0]=4 818 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [1,0,0,0,0,0|3,0,0]=4 819 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [1,0,0,0,0,0|3,0,0]=4 820 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [1,0,0,0,0,0|3,0,0]=4 821 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [1,0,0,0,0,0|3,0,0]=4 822 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,0,0,0,0|2,0,0]=3 823 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,0,0,0,0|2,0,0]=3 824 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [1,0,0,0,0,0|3,0,0]=4 825 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [1,0,0,0,0,0|3,0,0]=4 826 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [1,0,0,0,0,0|3,0,0]=4 827 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [1,0,0,0,0,0|3,0,0]=4 828 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [1,0,0,0,0,0|3,0,0]=4 829 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [1,0,0,0,0,0|3,0,0]=4 830 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [1,0,0,0,0,0|3,0,0]=4 831 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [1,0,0,0,0,0|3,0,0]=4 832 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [1,0,0,0,0,0|3,0,0]=4 833 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [1,0,0,0,0,0|3,0,0]=4 834 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [1,0,0,0,0,0|3,0,0]=4 835 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [1,0,0,0,0,0|3,0,0]=4 836 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [1,0,0,0,0,0|3,0,0]=4 837 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [1,0,0,0,0,0|3,0,0]=4 838 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,0,0,0,0,0|3,0,0]=4 839 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,0,0,0,0,0|3,0,0]=4 840 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,0,0,0,0,0|3,0,0]=4 841 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,0,0,0,0,0|3,0,0]=4 842 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,0,0,0,0,0|3,0,0]=4 843 B7R0.1 CC#CCNCC=O 2230a_100000685387_200015260668 [1,0,0,0,0,0|1,0,2]=4 844 B7R0.1 CC#CCNCC=O 34a_100000685387_200009817547 [1,0,0,0,0,0|1,0,2]=4 845 B7R0.1 CC#CCOCC=O 34a_100000761923_200009817547 [1,0,0,0,0,0|1,0,2]=4 846 B7R0.1 CC#CCSCC=O 62a_100000748600_200015260668 [1,0,0,0,0,0|1,0,2]=4 847 B7R0.1 CC#CCSCC=O 62a_200015260668_100000748600 [1,0,0,0,0,0|1,0,2]=4 848 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|2,0,1]=4 849 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|2,0,1]=4 850 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [1,0,0,0,0,0|2,0,1]=4 851 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [1,0,0,0,0,0|1,0,2]=4 852 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [1,0,0,0,0,0|1,0,2]=4 853 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [1,0,0,0,0,0|2,0,1]=4 854 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [1,0,0,0,0,0|2,0,1]=4 855 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [1,0,0,0,0,0|3,0,0]=4 856 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [1,0,0,0,0,0|2,0,0]=3 857 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [1,0,0,0,0,0|2,0,0]=3 858 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [1,0,0,0,0,0|2,0,0]=3 859 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [1,0,0,0,0,0|2,0,0]=3 860 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [1,0,0,0,0,0|2,0,0]=3 861 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [1,0,0,0,0,0|2,0,0]=3 862 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [1,0,0,0,0,0|2,0,0]=3 863 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [1,0,0,0,0,0|2,0,0]=3 864 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [1,0,0,0,0,0|2,0,0]=3 865 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [1,0,0,0,0,0|2,0,0]=3 866 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [1,0,0,0,0,0|2,0,0]=3 867 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [1,0,0,0,0,0|2,0,0]=3 868 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [1,0,0,0,0,0|2,0,0]=3 869 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [1,0,0,0,0,0|2,0,0]=3 870 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [1,0,0,0,0,0|2,0,1]=4 871 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [1,0,0,0,0,0|2,0,1]=4 872 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|2,0,1]=4 873 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|2,0,1]=4 874 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|2,0,1]=4 875 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [1,0,0,0,0,0|2,0,1]=4 876 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [1,0,0,0,0,0|2,0,1]=4 877 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [1,0,0,0,0,0|2,0,1]=4 878 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [1,0,0,0,0,0|2,0,1]=4 879 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [1,0,0,0,0,0|2,0,1]=4 880 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [1,0,0,0,0,0|2,0,1]=4 881 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [1,0,0,0,0,0|2,0,1]=4 882 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [1,0,0,0,0,0|2,0,1]=4 883 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [1,0,0,0,0,0|1,0,0]=2 884 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [1,0,0,0,0,0|1,0,0]=2 885 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [1,0,0,0,0,0|2,0,1]=4 886 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [1,0,0,0,0,0|2,0,1]=4 887 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [1,0,0,0,0,0|2,0,1]=4 888 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [1,0,0,0,0,0|2,0,1]=4 889 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [1,0,0,0,0,0|2,0,1]=4 890 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [1,0,0,0,0,0|1,0,1]=3 891 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [1,0,0,0,0,0|1,0,1]=3 892 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [1,0,0,0,0,0|1,0,1]=3 893 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [1,0,0,0,0,0|1,0,1]=3 894 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [1,0,0,0,0,0|3,0,0]=4 895 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [1,0,0,0,0,0|3,0,0]=4 896 B7R0.1 CCCCOCC#N 7a_100000210227_100011215382 [1,0,0,0,0,0|2,0,1]=4 897 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [1,0,0,0,0,0|1,0,0]=2 898 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [1,0,0,0,0,0|1,0,0]=2 899 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [1,0,0,0,0,0|2,0,1]=4 900 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [1,0,0,0,0,0|2,0,1]=4 901 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [1,0,0,0,0,0|2,0,1]=4 902 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [1,0,0,0,0,0|2,0,1]=4 903 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [1,0,0,0,0,0|2,0,1]=4 904 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [1,0,0,0,0,0|2,0,1]=4 905 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [1,0,0,0,0,0|2,0,1]=4 906 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [1,0,0,0,0,0|1,0,1]=3 907 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [1,0,0,0,0,0|1,0,1]=3 908 B7R0.1 CCCCOCNC 2230a_106832991635_100011995733 [1,0,0,0,0,0|3,0,0]=4 909 B7R0.1 CCCCOCNC 34a_100102657272_100011995733 [1,0,0,0,0,0|3,0,0]=4 910 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [1,0,0,0,0,0|3,0,0]=4 911 B7R0.1 CCCCOCSC 34a_100000210227_100011218213 [1,0,0,0,0,0|3,0,0]=4 912 B7R0.1 CCCCOCSC 62a_100011995733_200000210301 [1,0,0,0,0,0|3,0,0]=4 913 B7R0.1 CCCCOCSC 62a_200000210301_100011995733 [1,0,0,0,0,0|3,0,0]=4 914 B7R0.1 CCCCOCS[13CH3] 62a_100011995733_200025704644 [1,0,0,0,0,0|3,0,0]=4 915 B7R0.1 CCCCOCS[13CH3] 62a_200025704644_100011995733 [1,0,0,0,0,0|3,0,0]=4 916 B7R0.1 CCCCSCC#N 62a_100000210211_100011215382 [1,0,0,0,0,0|2,0,1]=4 917 B7R0.1 CCCCSCC#N 62a_100011215382_100000210210 [1,0,0,0,0,0|2,0,1]=4 918 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [1,0,0,0,0,0|1,0,0]=2 919 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [1,0,0,0,0,0|1,0,0]=2 920 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [1,0,0,0,0,0|2,0,1]=4 921 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [1,0,0,0,0,0|2,0,1]=4 922 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [1,0,0,0,0,0|2,0,1]=4 923 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [1,0,0,0,0,0|2,0,1]=4 924 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [1,0,0,0,0,0|1,0,1]=3 925 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [1,0,0,0,0,0|1,0,1]=3 926 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [1,0,0,0,0,0|3,0,0]=4 927 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [1,0,0,0,0,0|3,0,0]=4 928 B7R0.1 CCCCSCSC 62a_100000210211_100011218213 [1,0,0,0,0,0|3,0,0]=4 929 B7R0.1 CCCCSCSC 62a_100011218213_100000210210 [1,0,0,0,0,0|3,0,0]=4 930 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [1,0,0,0,0,0|2,0,1]=4 931 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [1,0,0,0,0,0|2,0,1]=4 932 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [1,0,0,0,0,0|3,0,0]=4 933 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [1,0,0,0,0,0|3,0,0]=4 934 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [1,0,0,0,0,0|2,0,1]=4 935 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [1,0,0,0,0,0|2,0,1]=4 936 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [1,0,0,0,0,0|2,0,1]=4 937 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [1,0,0,0,0,0|2,0,1]=4 938 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [1,0,0,0,0,0|2,0,1]=4 939 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [1,0,0,0,0,0|1,0,1]=3 940 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [1,0,0,0,0,0|3,0,0]=4 941 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [1,0,0,0,0,0|3,0,0]=4 942 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [1,0,0,0,0,0|3,0,0]=4 943 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [1,0,0,0,0,0|3,0,0]=4 944 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [1,0,0,0,0,0|3,0,0]=4 945 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [1,0,0,0,0,0|3,0,0]=4 946 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [1,0,0,0,0,0|3,0,0]=4 947 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [1,0,0,0,0,0|3,0,0]=4 948 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [1,0,0,0,0,0|3,0,0]=4 949 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [1,0,0,0,0,0|3,0,0]=4 950 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [1,0,0,0,0,0|3,0,0]=4 951 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [1,0,0,0,0,0|3,0,0]=4 952 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [1,0,0,0,0,0|3,0,0]=4 953 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [1,0,0,0,0,0|3,0,0]=4 954 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [1,0,0,0,0,0|3,0,0]=4 955 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [1,0,0,0,0,0|3,0,0]=4 956 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [1,0,0,0,0,0|3,0,0]=4 957 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [1,0,0,0,0,0|3,0,0]=4 958 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [1,0,0,0,0,0|3,0,0]=4 959 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [1,0,0,0,0,0|3,0,0]=4 960 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [1,0,0,0,0,0|3,0,0]=4 961 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [1,0,0,0,0,0|3,0,0]=4 962 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [1,0,0,0,0,0|2,0,1]=4 963 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [1,0,0,0,0,0|2,0,1]=4 964 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [1,0,0,0,0,0|2,0,1]=4 965 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [1,0,0,0,0,0|2,0,1]=4 966 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [1,0,0,0,0,0|1,0,1]=3 967 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [1,0,0,0,0,0|1,0,1]=3 968 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [1,0,0,0,0,0|3,0,0]=4 969 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [1,0,0,0,0,0|3,0,0]=4 970 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [1,0,0,0,0,0|3,0,0]=4 971 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [1,0,0,0,0,0|3,0,0]=4 972 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [1,0,0,0,0,0|3,0,0]=4 973 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [1,0,0,0,0,0|3,0,0]=4 974 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [1,0,0,0,0,0|3,0,0]=4 975 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [1,0,0,0,0,0|3,0,0]=4 976 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [1,0,0,0,0,0|3,0,0]=4 977 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [1,0,0,0,0,0|3,0,0]=4 978 B7R0.1 CCNCCCC#N 2230a_100015525214_100000687738 [1,0,0,0,0,0|2,0,1]=4 979 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,0,0,0,0|1,0,0]=2 980 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [1,0,0,0,0,0|2,0,1]=4 981 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [1,0,0,0,0,0|1,0,1]=3 982 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [1,0,0,0,0,0|1,0,1]=3 983 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [1,0,0,0,0,0|1,0,1]=3 984 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [1,0,0,0,0,0|3,0,0]=4 985 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [1,0,0,0,0,0|3,0,0]=4 986 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [1,0,0,0,0,0|3,0,0]=4 987 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,0,0,0,0,0|2,0,1]=4 988 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,0,0,0,0,0|2,0,1]=4 989 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,0,0,0,0,0|2,0,1]=4 990 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,0,0,0,0,0|2,0,1]=4 991 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,0,0,0,0,0|2,0,1]=4 992 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,0,0,0,0,0|2,0,1]=4 993 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,0,0,0,0,0|2,0,1]=4 994 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,0,0,0,0|2,0,1]=4 995 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|1,0,1]=3 996 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|3,0,0]=4 997 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|3,0,0]=4 998 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|3,0,0]=4 999 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|3,0,0]=4 1000 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|3,0,0]=4 1001 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|3,0,0]=4 1002 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|3,0,0]=4 1003 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|3,0,0]=4 1004 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|3,0,0]=4 1005 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|3,0,0]=4 1006 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|3,0,0]=4 1007 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|3,0,0]=4 1008 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|3,0,0]=4 1009 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|3,0,0]=4 1010 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|3,0,0]=4 1011 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|3,0,0]=4 1012 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|3,0,0]=4 1013 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|3,0,0]=4 1014 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|3,0,0]=4 1015 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|3,0,0]=4 1016 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|3,0,0]=4 1017 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,0,0,0,0,0|2,0,0]=3 1018 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,0,0,0,0,0|2,0,0]=3 1019 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [1,0,0,0,0,0|2,0,1]=4 1020 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [1,0,0,0,0,0|2,0,1]=4 1021 B7R0.1 CCSCCCC#N 62a_100000210202_100000687738 [1,0,0,0,0,0|2,0,1]=4 1022 B7R0.1 CCSCCCC#N 62a_100000687738_100000210202 [1,0,0,0,0,0|2,0,1]=4 1023 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,0,0,0,0|1,0,0]=2 1024 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,0,0,0,0|1,0,0]=2 1025 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [1,0,0,0,0,0|2,0,1]=4 1026 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [1,0,0,0,0,0|2,0,1]=4 1027 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [1,0,0,0,0,0|1,0,1]=3 1028 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [1,0,0,0,0,0|1,0,1]=3 1029 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [1,0,0,0,0,0|3,0,0]=4 1030 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [1,0,0,0,0,0|3,0,0]=4 1031 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [1,0,0,0,0,0|3,0,0]=4 1032 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [1,0,0,0,0,0|3,0,0]=4 1033 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [1,0,0,0,0,0|3,0,0]=4 1034 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [1,0,0,0,0,0|3,0,0]=4 1035 B7R0.1 CNCCCCC#N 2230a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 1036 B7R0.1 CNCCCCC#N 7a_106832991635_100000211819 [1,0,0,0,0,0|2,0,1]=4 1037 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,0,0,0,0|1,0,0]=2 1038 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,0,0,0,0|1,0,0]=2 1039 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [1,0,0,0,0,0|2,0,1]=4 1040 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [1,0,0,0,0,0|2,0,1]=4 1041 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [1,0,0,0,0,0|2,0,1]=4 1042 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [1,0,0,0,0,0|1,0,1]=3 1043 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [1,0,0,0,0,0|1,0,1]=3 1044 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [1,0,0,0,0,0|1,0,1]=3 1045 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [1,0,0,0,0,0|1,0,1]=3 1046 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [1,0,0,0,0,0|1,0,1]=3 1047 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [1,0,0,0,0,0|3,0,0]=4 1048 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [1,0,0,0,0,0|3,0,0]=4 1049 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [1,0,0,0,0,0|3,0,0]=4 1050 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [1,0,0,0,0,0|2,0,1]=4 1051 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [1,0,0,0,0,0|2,0,1]=4 1052 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [1,0,0,0,0,0|2,0,1]=4 1053 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [1,0,0,0,0,0|2,0,1]=4 1054 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [1,0,0,0,0,0|2,0,1]=4 1055 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [1,0,0,0,0,0|2,0,1]=4 1056 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [1,0,0,0,0,0|2,0,1]=4 1057 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [1,0,0,0,0,0|2,0,1]=4 1058 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [1,0,0,0,0,0|2,0,1]=4 1059 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [1,0,0,0,0,0|2,0,1]=4 1060 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [1,0,0,0,0,0|2,0,1]=4 1061 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [1,0,0,0,0,0|2,0,1]=4 1062 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [1,0,0,0,0,0|2,0,1]=4 1063 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [1,0,0,0,0,0|2,0,1]=4 1064 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [1,0,0,0,0,0|1,0,1]=3 1065 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [1,0,0,0,0,0|3,0,0]=4 1066 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [1,0,0,0,0,0|3,0,0]=4 1067 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [1,0,0,0,0,0|3,0,0]=4 1068 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [1,0,0,0,0,0|3,0,0]=4 1069 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [1,0,0,0,0,0|3,0,0]=4 1070 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [1,0,0,0,0,0|3,0,0]=4 1071 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [1,0,0,0,0,0|3,0,0]=4 1072 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [1,0,0,0,0,0|3,0,0]=4 1073 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [1,0,0,0,0,0|3,0,0]=4 1074 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [1,0,0,0,0,0|2,0,0]=3 1075 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [1,0,0,0,0,0|2,0,1]=4 1076 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [1,0,0,0,0,0|2,0,1]=4 1077 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [1,0,0,0,0,0|2,0,1]=4 1078 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [1,0,0,0,0,0|2,0,0]=3 1079 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [1,0,0,0,0,0|2,0,1]=4 1080 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [1,0,0,0,0,0|2,0,1]=4 1081 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [1,0,0,0,0,0|2,0,0]=3 1082 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [1,0,0,0,0,0|2,0,0]=3 1083 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [1,0,0,0,0,0|2,0,1]=4 1084 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [1,0,0,0,0,0|2,0,1]=4 1085 B7R0.1 COCSCCCO 62a_100000766300_100011215043 [1,0,0,0,0,0|2,0,1]=4 1086 B7R0.1 COCSCCCO 62a_100011215043_100000766300 [1,0,0,0,0,0|2,0,1]=4 1087 B7R0.1 CSCCCCC#N 62a_100011219923_200000210301 [1,0,0,0,0,0|2,0,1]=4 1088 B7R0.1 CSCCCCC#N 62a_200000210301_100000211819 [1,0,0,0,0,0|2,0,1]=4 1089 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|1,0,0]=2 1090 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|1,0,0]=2 1091 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [1,0,0,0,0,0|2,0,1]=4 1092 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [1,0,0,0,0,0|2,0,1]=4 1093 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [1,0,0,0,0,0|1,0,1]=3 1094 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [1,0,0,0,0,0|1,0,1]=3 1095 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [1,0,0,0,0,0|3,0,0]=4 1096 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [1,0,0,0,0,0|3,0,0]=4 1097 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [1,0,0,0,0,0|2,0,0]=3 1098 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [1,0,0,0,0,0|2,0,1]=4 1099 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [1,0,0,0,0,0|2,0,1]=4 1100 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [1,0,0,0,0,0|2,0,1]=4 1101 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [1,0,0,0,0,0|2,0,0]=3 1102 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [1,0,0,0,0,0|2,0,0]=3 1103 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [1,0,0,0,0,0|2,0,1]=4 1104 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [1,0,0,0,0,0|2,0,1]=4 1105 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [1,0,0,0,0,0|2,0,1]=4 1106 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [1,0,0,0,0,0|2,0,1]=4 1107 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [1,0,0,0,0,0|2,0,0]=3 1108 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [1,0,0,0,0,0|2,0,0]=3 1109 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [1,0,0,0,0,0|2,0,1]=4 1110 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [1,0,0,0,0,0|2,0,1]=4 1111 B7R0.1 CSCSCCCO 62a_100011215043_100011218213 [1,0,0,0,0,0|2,0,1]=4 1112 B7R0.1 CSCSCCCO 62a_100011218213_100011215043 [1,0,0,0,0,0|2,0,1]=4 1113 B7R0.1 N#CCCSCC=O 62a_100011215226_200015260668 [1,0,0,0,0,0|2,0,1]=4 1114 B7R0.1 N#CCCSCC=O 62a_200015260668_100011215226 [1,0,0,0,0,0|2,0,1]=4 1115 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [1,0,0,0,0,0|2,0,0]=3 1116 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [1,0,0,0,0,0|2,0,1]=4 1117 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [1,0,0,0,0,0|2,0,1]=4 1118 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [1,0,0,0,0,0|3,0,0]=4 1119 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [1,0,0,0,0,0|2,0,0]=3 1120 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [1,0,0,0,0,0|2,0,0]=3 1121 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [1,0,0,0,0,0|2,0,0]=3 1122 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [1,0,0,0,0,0|2,0,0]=3 1123 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [1,0,0,0,0,0|2,0,0]=3 1124 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [1,0,0,0,0,0|2,0,0]=3 1125 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [1,0,0,0,0,0|2,0,0]=3 1126 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [1,0,0,0,0,0|2,0,0]=3 1127 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [1,0,0,0,0,0|2,0,0]=3 1128 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [1,0,0,0,0,0|2,0,0]=3 1129 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [1,0,0,0,0,0|2,0,0]=3 1130 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [1,0,0,0,0,0|2,0,1]=4 1131 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [1,0,0,0,0,0|2,0,1]=4 1132 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [1,0,0,0,0,0|2,0,1]=4 1133 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [1,0,0,0,0,0|2,0,1]=4 1134 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [1,0,0,0,0,0|2,0,1]=4 1135 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [1,0,0,0,0,0|2,0,1]=4 1136 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [1,0,0,0,0,0|2,0,1]=4 1137 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [1,0,0,0,0,0|2,0,1]=4 1138 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [1,0,0,0,0,0|2,0,1]=4 1139 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [1,0,0,0,0,0|2,0,1]=4 1140 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [1,0,0,0,0,0|2,0,1]=4 1141 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [1,0,0,0,0,0|2,0,1]=4 1142 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [1,0,0,0,0,0|2,0,1]=4 1143 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [1,0,0,0,0,0|2,0,1]=4 1144 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [1,0,0,0,0,0|2,0,1]=4 1145 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [1,0,0,0,0,0|2,0,1]=4 1146 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [1,0,0,0,0,0|2,0,1]=4 1147 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [1,0,0,0,0,0|2,0,1]=4 1148 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [1,0,0,0,0,0|2,0,1]=4 1149 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [1,0,0,0,0,0|2,0,1]=4 1150 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [1,0,0,0,0,0|1,0,1]=3 1151 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [1,0,0,0,0,0|1,0,1]=3 1152 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [1,0,0,0,0,0|2,0,1]=4 1153 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [1,0,0,0,0,0|2,0,1]=4 1154 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [1,0,0,0,0,0|2,0,1]=4 1155 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [1,0,0,0,0,0|2,0,1]=4 1156 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [1,0,0,0,0,0|2,0,1]=4 1157 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [1,0,0,0,0,0|2,0,1]=4 1158 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [1,0,0,0,0,0|2,0,1]=4 1159 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [1,0,0,0,0,0|2,0,1]=4 1160 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [1,0,0,0,0,0|2,0,1]=4 1161 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [1,0,0,0,0,0|2,0,1]=4 1162 B7R0.1 [13CH3]SCCCCC#N 62a_100011219923_200025704644 [1,0,0,0,0,0|2,0,1]=4 1163 B7R0.1 [13CH3]SCCCCC#N 62a_200025704644_100000211819 [1,0,0,0,0,0|2,0,1]=4 1164 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|1,0,0]=2 1165 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|1,0,0]=2 1166 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [1,0,0,0,0,0|2,0,1]=4 1167 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [1,0,0,0,0,0|2,0,1]=4 1168 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [1,0,0,0,0,0|1,0,1]=3 1169 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [1,0,0,0,0,0|1,0,1]=3 1170 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [1,0,0,0,0,0|2,0,1]=4 1171 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [1,0,0,0,0,0|2,0,1]=4 1172 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|1,0,2]=4 1173 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|1,0,2]=4 1174 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|1,0,2]=4 1175 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,0,0,0,0,0|1,0,2]=4 1176 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [1,0,0,0,0,0|3,0,0]=4 1177 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|3,0,0]=4 1178 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|3,0,0]=4 1179 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|3,0,0]=4 1180 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|3,0,0]=4 1181 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|3,0,0]=4 1182 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|3,0,0]=4 1183 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|3,0,0]=4 1184 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|3,0,0]=4 1185 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|3,0,0]=4 1186 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [1,0,0,0,0,0|3,0,0]=4 1187 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [1,0,0,0,0,0|3,0,0]=4 1188 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [1,0,0,0,0,0|3,0,0]=4 1189 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [1,0,0,0,0,0|3,0,0]=4 1190 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|1,0,2]=4 1191 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|1,0,2]=4 1192 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|1,0,2]=4 1193 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,0,0,0,0|1,0,2]=4 1194 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|2,0,1]=4 1195 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|2,0,1]=4 1196 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|2,0,0]=3 1197 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|2,0,0]=3 1198 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|2,0,0]=3 1199 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|2,0,0]=3 1200 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|2,0,0]=3 1201 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|2,0,0]=3 1202 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|2,0,0]=3 1203 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 1204 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 1205 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|3,0,0]=4 1206 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|3,0,0]=4 1207 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|3,0,0]=4 1208 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|3,0,0]=4 1209 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|3,0,0]=4 1210 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 1211 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 1212 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 1213 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|3,0,0]=4 1214 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|3,0,0]=4 1215 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|3,0,0]=4 1216 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|3,0,0]=4 1217 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|3,0,0]=4 1218 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|3,0,0]=4 1219 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|3,0,0]=4 1220 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|3,0,0]=4 1221 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|3,0,0]=4 1222 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|2,0,1]=4 1223 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|2,0,1]=4 1224 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|1,0,2]=4 1225 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|1,0,2]=4 1226 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|1,0,2]=4 1227 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|1,0,2]=4 1228 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|1,0,2]=4 1229 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|1,0,2]=4 1230 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|1,0,2]=4 1231 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|1,0,2]=4 1232 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|1,0,0]=2 1233 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|1,0,0]=2 1234 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|1,0,0]=2 1235 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|3,0,0]=4 1236 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|3,0,0]=4 1237 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|3,0,0]=4 1238 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|3,0,0]=4 1239 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|3,0,0]=4 1240 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|3,0,0]=4 1241 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 1242 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 1243 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 1244 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|2,0,0]=3 1245 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|2,0,0]=3 1246 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|1,0,0]=2 1247 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|2,0,1]=4 1248 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|2,0,1]=4 1249 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|3,0,0]=4 1250 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|2,0,0]=3 1251 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|2,0,0]=3 1252 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|2,0,0]=3 1253 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|2,0,0]=3 1254 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|1,0,1]=3 1255 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|2,0,1]=4 1256 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|2,0,1]=4 1257 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [1,0,0,0,0,0|2,0,1]=4 1258 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|2,0,0]=3 1259 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|2,0,0]=3 1260 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|2,0,0]=3 1261 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|2,0,0]=3 1262 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|1,0,1]=3 1263 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|1,0,1]=3 1264 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|2,0,1]=4 1265 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|2,0,1]=4 1266 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|2,0,1]=4 1267 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|2,0,1]=4 1268 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [1,0,0,0,0,0|2,0,1]=4 1269 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|2,0,0]=3 1270 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|2,0,1]=4 1271 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|2,0,1]=4 1272 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,0,0,0,0,0|2,0,0]=3 1273 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|2,0,0]=3 1274 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|2,0,0]=3 1275 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 1276 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 1277 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 1278 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|2,0,0]=3 1279 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|2,0,0]=3 1280 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|2,0,0]=3 1281 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|2,0,1]=4 1282 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|3,0,0]=4 1283 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|2,0,0]=3 1284 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|2,0,0]=3 1285 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|2,0,0]=3 1286 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|2,0,0]=3 1287 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|2,0,0]=3 1288 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|2,0,0]=3 1289 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|2,0,0]=3 1290 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|2,0,1]=4 1291 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|2,0,1]=4 1292 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|3,0,0]=4 1293 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|3,0,0]=4 1294 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|2,0,0]=3 1295 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|2,0,0]=3 1296 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,0]=3 1297 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,0]=3 1298 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,0]=3 1299 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|2,0,1]=4 1300 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|2,0,1]=4 1301 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|2,0,1]=4 1302 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|3,0,0]=4 1303 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|3,0,0]=4 1304 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|3,0,0]=4 1305 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|3,0,0]=4 1306 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 1307 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,0,0,0,0|3,0,0]=4 1308 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 1309 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|3,0,0]=4 1310 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|3,0,0]=4 1311 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|3,0,0]=4 1312 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|3,0,0]=4 1313 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|2,0,0]=3 1314 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|2,0,0]=3 1315 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|2,0,0]=3 1316 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|2,0,0]=3 1317 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|2,0,0]=3 1318 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|2,0,0]=3 1319 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|2,0,0]=3 1320 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|2,0,1]=4 1321 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [1,0,0,0,0,0|2,0,1]=4 1322 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|3,0,0]=4 1323 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|3,0,0]=4 1324 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|3,0,0]=4 1325 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|3,0,0]=4 1326 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|3,0,0]=4 1327 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|3,0,0]=4 1328 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|3,0,0]=4 1329 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|3,0,0]=4 1330 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,0,0,0,0,0|3,0,0]=4 1331 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|2,0,0]=3 1332 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,0,0,0,0,0|3,0,0]=4 1333 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,0,0,0,0,0|3,0,0]=4 1334 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,0,0,0,0,0|2,0,1]=4 1335 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,0,0,0,0,0|2,0,1]=4 1336 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|3,0,0]=4 1337 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|2,0,0]=3 1338 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|2,0,0]=3 1339 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|2,0,0]=3 1340 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|2,0,0]=3 1341 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|2,0,0]=3 1342 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|2,0,0]=3 1343 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|2,0,1]=4 1344 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|2,0,1]=4 1345 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 1346 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 1347 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 1348 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|3,0,0]=4 1349 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|3,0,0]=4 1350 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|3,0,0]=4 1351 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,0,0,0,0,0|3,0,0]=4 1352 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,0,0,0,0,0|3,0,0]=4 1353 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|3,0,0]=4 1354 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|3,0,0]=4 1355 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|3,0,0]=4 1356 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|3,0,0]=4 1357 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,0,0,0,0,0|3,0,0]=4 1358 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|2,0,0]=3 1359 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|3,0,0]=4 1360 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,0,0,0,0,0|3,0,0]=4 1361 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,0,0,0,0,0|3,0,0]=4 1362 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,0,0,0,0,0|2,0,1]=4 1363 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,0,0,0,0,0|2,0,1]=4 1364 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,0,0,0,0,0|2,0,1]=4 1365 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 1366 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,0,0,0,0,0|3,0,0]=4 1367 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,0,0,0,0,0|3,0,0]=4 1368 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,0,0,0,0,0|3,0,0]=4 1369 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [1,0,0,0,0,0|3,0,0]=4 1370 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [1,0,0,0,0,0|3,0,0]=4 1371 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,0,0,0,0,0|3,0,0]=4 1372 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,0,0,0,0,0|3,0,0]=4 1373 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,0,0,0,0,0|3,0,0]=4 1374 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [1,0,0,0,0,0|3,0,0]=4 1375 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [1,0,0,0,0,0|3,0,0]=4 1376 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [1,0,0,0,0,0|3,0,0]=4 1377 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,0,0,0,0,0|3,0,0]=4 1378 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,0,0,0,0,0|3,0,0]=4 1379 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,0,0,0,0,0|3,0,0]=4 1380 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,0,0,0,0,0|2,0,1]=4 1381 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|2,0,0]=3 1382 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|2,0,0]=3 1383 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,0,0,0,0,0|3,0,0]=4 1384 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [1,0,0,0,0,0|2,0,1]=4 1385 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,0,0,0,0,0|2,0,1]=4 1386 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [1,0,0,0,0,0|2,0,1]=4 1387 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [1,0,0,0,0,0|2,0,1]=4 1388 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [1,0,0,0,0,0|2,0,1]=4 1389 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,0,0,0,0,0|2,0,1]=4 1390 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,0,0,0,0,0|2,0,1]=4 1391 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,0,0,0,0|2,0,1]=4 1392 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|2,0,1]=4 1393 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|2,0,0]=3 1394 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|3,0,0]=4 1395 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,0]=3 1396 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,0,0,0,0|3,0,0]=4 1397 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [1,0,0,0,0,0|2,0,1]=4 1398 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|3,0,0]=4 1399 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|3,0,0]=4 1400 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|2,0,0]=3 1401 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|2,0,0]=3 1402 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,0,0,0,0,0|3,0,0]=4 1403 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,0,0,0,0,0|3,0,0]=4 1404 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|3,0,0]=4 1405 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|3,0,0]=4 1406 B9R0.1 C=C(Br)CCOC(C)CC 34a_100009813270_100011215416 [0,1,0,0,0,0|3,0,0]=4 1407 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [0,1,0,0,0,0|3,0,0]=4 1408 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [0,1,0,0,0,0|3,0,0]=4 1409 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [0,1,0,0,0,0|3,0,0]=4 1410 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,1,0,0,0,0|3,0,0]=4 1411 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,1,0,0,0,0|3,0,0]=4 1412 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [0,1,0,0,0,0|3,0,0]=4 1413 B9R0.1 C=C(C)CNCC(O)CC 2230a_100011218483_100000748629 [0,1,0,0,0,0|3,0,0]=4 1414 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [0,1,0,0,0,0|3,0,0]=4 1415 B9R0.1 C=C(C)COCC(O)CC 34a_100000210245_100011218378 [0,1,0,0,0,0|3,0,0]=4 1416 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [0,1,0,0,0,0|3,0,0]=4 1417 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [0,1,0,0,0,0|3,0,0]=4 1418 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,1,0,0,0,0|3,0,0]=4 1419 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,1,0,0,0,0|3,0,0]=4 1420 B9R0.1 C=C(C)CSCC(O)CC 62a_100000748629_100011218378 [0,1,0,0,0,0|3,0,0]=4 1421 B9R0.1 C=C(C)CSCC(O)CC 62a_100011218378_100000211660 [0,1,0,0,0,0|3,0,0]=4 1422 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,1,0,0,0,0|3,0,0]=4 1423 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,1,0,0,0,0|3,0,0]=4 1424 B9R0.1 C=C(F)CNCC(C)CC 2230a_100020588543_100009893438 [0,1,0,0,0,0|3,0,0]=4 1425 B9R0.1 C=C(F)CNCC(O)CC 2230a_100011218483_100009893438 [0,1,0,0,0,0|3,0,0]=4 1426 B9R0.1 C=C(F)COCC(C)CC 34a_200010262243_100000748023 [0,1,0,0,0,0|3,0,0]=4 1427 B9R0.1 C=C(F)COCC(O)CC 34a_200010262243_100011218378 [0,1,0,0,0,0|3,0,0]=4 1428 B9R0.1 C=C(F)COC[C@@H](C)CC 34a_200010262243_100009816398 [0,1,0,0,0,0|3,0,0]=4 1429 B9R0.1 C=C(F)COC[C@@H](C)CC 7a_100009816381_100000042424 [0,1,0,0,0,0|3,0,0]=4 1430 B9R0.1 C=C(F)CSCC(C)CC 62a_100000042424_100000748023 [0,1,0,0,0,0|3,0,0]=4 1431 B9R0.1 C=C(F)CSCC(C)CC 62a_100000748023_100000042424 [0,1,0,0,0,0|3,0,0]=4 1432 B9R0.1 C=C(F)CSCC(O)CC 62a_100000042424_100011218378 [0,1,0,0,0,0|3,0,0]=4 1433 B9R0.1 C=C(F)CSCC(O)CC 62a_100011218378_100000042424 [0,1,0,0,0,0|3,0,0]=4 1434 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100000042424_100009816398 [0,1,0,0,0,0|3,0,0]=4 1435 B9R0.1 C=C(F)CSC[C@@H](C)CC 62a_100009816398_100000042424 [0,1,0,0,0,0|3,0,0]=4 1436 B9R0.1 C=CC(O)CNCC(=O)O 269956a_100016091260_100000730141 [0,1,0,0,0,0|1,0,2]=4 1437 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,1,0,0,0,0|2,0,1]=4 1438 B9R0.1 CC(=O)CCOC(C)CF 7a_100016041109_100000053229 [0,1,0,0,0,0|3,0,0]=4 1439 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,1,0,0,0,0|3,0,0]=4 1440 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,1,0,0,0,0|3,0,0]=4 1441 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,1,0,0,0,0|3,0,0]=4 1442 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,1,0,0,0,0|3,0,0]=4 1443 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,1,0,0,0,0|3,0,0]=4 1444 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,1,0,0,0,0|3,0,0]=4 1445 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,1,0,0,0,0|3,0,0]=4 1446 B9R0.1 CC(=O)COC[C@@H](O)CF 34a_100000211253_100015614560 [0,1,0,0,0,0|3,0,0]=4 1447 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,1,0,0,0,0|3,0,0]=4 1448 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,1,0,0,0,0|3,0,0]=4 1449 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,1,0,0,0,0|3,0,0]=4 1450 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,1,0,0,0,0|1,0,1]=3 1451 B9R0.1 CC(CF)OCCC(=O)N 34a_100016041109_100000731001 [0,1,0,0,0,0|3,0,0]=4 1452 B9R0.1 CC(CF)OCCC(=O)N 7a_100016041109_100000744528 [0,1,0,0,0,0|3,0,0]=4 1453 B9R0.1 CC(CN)COCC(=O)N 34a_100000744482_100000187820 [0,1,0,0,0,0|3,0,0]=4 1454 B9R0.1 CC(CN)COCC(=O)[O-] 34a_100000744482_100020667443 [0,1,0,0,0,0|2,0,1]=4 1455 B9R0.1 CC(CN)OCCC(=O)N 34a_100000210904_100000731001 [0,1,0,0,0,0|3,0,0]=4 1456 B9R0.1 CC(CO)CNCC(=O)N 34a_100000744482_100000187820 [0,1,0,0,0,0|3,0,0]=4 1457 B9R0.1 CC(CO)CNCC(=O)[O-] 34a_100000744482_100020667443 [0,1,0,0,0,0|2,0,1]=4 1458 B9R0.1 CC(CO)OCCC(=O)N 34a_100000757172_100012180447 [0,1,0,0,0,0|3,0,0]=4 1459 B9R0.1 CC(CO)OCCC(=O)N 7a_100000757172_100012180447 [0,1,0,0,0,0|3,0,0]=4 1460 B9R0.1 CC(CO)SCCC(=O)N 62a_100012180447_100000744528 [0,1,0,0,0,0|3,0,0]=4 1461 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,0,0,0,0|1,0,1]=3 1462 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,1,0,0,0,0|1,0,1]=3 1463 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,0,0,0,0|1,0,2]=4 1464 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [0,1,0,0,0,0|1,0,2]=4 1465 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,1,0,0,0,0|2,0,1]=4 1466 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,1,0,0,0,0|2,0,1]=4 1467 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [0,1,0,0,0,0|2,0,1]=4 1468 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [0,1,0,0,0,0|2,0,1]=4 1469 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,1,0,0,0,0|2,0,1]=4 1470 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,1,0,0,0,0|2,0,1]=4 1471 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,1,0,0,0,0|2,0,1]=4 1472 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,1,0,0,0,0|1,0,1]=3 1473 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [0,1,0,0,0,0|2,0,1]=4 1474 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [0,1,0,0,0,0|2,0,1]=4 1475 B9R0.1 CCC(=O)COCC(=O)[O-] 34a_100000725409_100020667443 [0,1,0,0,0,0|1,0,2]=4 1476 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [0,1,0,0,0,0|2,0,1]=4 1477 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [0,1,0,0,0,0|2,0,1]=4 1478 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100000747405_100020667443 [0,1,0,0,0,0|1,0,2]=4 1479 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747405 [0,1,0,0,0,0|1,0,2]=4 1480 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,1,0,0,0,0|2,0,1]=4 1481 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,1,0,0,0,0|2,0,1]=4 1482 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,1,0,0,0,0|2,0,1]=4 1483 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,1,0,0,0,0|2,0,0]=3 1484 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,1,0,0,0,0|2,0,0]=3 1485 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,1,0,0,0,0|2,0,0]=3 1486 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,1,0,0,0,0|2,0,0]=3 1487 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [0,1,0,0,0,0|2,0,0]=3 1488 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [0,1,0,0,0,0|2,0,0]=3 1489 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,1,0,0,0,0|1,0,0]=2 1490 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [0,1,0,0,0,0|2,0,1]=4 1491 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [0,1,0,0,0,0|2,0,1]=4 1492 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [0,1,0,0,0,0|2,0,1]=4 1493 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [0,1,0,0,0,0|2,0,1]=4 1494 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [0,1,0,0,0,0|2,0,1]=4 1495 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,1,0,0,0,0|2,0,0]=3 1496 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [0,1,0,0,0,0|2,0,0]=3 1497 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [0,1,0,0,0,0|2,0,0]=3 1498 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [0,1,0,0,0,0|1,0,1]=3 1499 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [0,1,0,0,0,0|1,0,1]=3 1500 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,1,0,0,0,0|2,0,1]=4 1501 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,1,0,0,0,0|2,0,1]=4 1502 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,1,0,0,0,0|2,0,1]=4 1503 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,1,0,0,0,0|2,0,1]=4 1504 B9R0.1 CCC(C)CSC[N+](=O)[O-] 62a_100000748023_100000761209 [0,1,0,0,0,0|2,0,1]=4 1505 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [0,1,0,0,0,0|2,0,0]=3 1506 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,1,0,0,0,0|2,0,1]=4 1507 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,1,0,0,0,0|2,0,1]=4 1508 B9R0.1 CCC(C)NOCC(=O)O 269956a_100000106656_100000758301 [0,1,0,0,0,0|2,0,0]=3 1509 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,1,0,0,0,0|2,0,0]=3 1510 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,1,0,0,0,0|2,0,0]=3 1511 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,1,0,0,0,0|2,0,0]=3 1512 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [0,1,0,0,0,0|2,0,0]=3 1513 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [0,1,0,0,0,0|2,0,0]=3 1514 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [0,1,0,0,0,0|2,0,0]=3 1515 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,1,0,0,0,0|2,0,1]=4 1516 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,1,0,0,0,0|2,0,0]=3 1517 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,1,0,0,0,0|2,0,0]=3 1518 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,1,0,0,0,0|2,0,0]=3 1519 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,1,0,0,0,0|2,0,0]=3 1520 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,1,0,0,0,0|2,0,1]=4 1521 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,1,0,0,0,0|2,0,1]=4 1522 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,1,0,0,0,0|3,0,0]=4 1523 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,1,0,0,0,0|3,0,0]=4 1524 B9R0.1 CCC(O)CNCC(=O)N 2230a_100000711301_100011218378 [0,1,0,0,0,0|2,0,0]=3 1525 B9R0.1 CCC(O)CNCC(=O)N 2230a_100011218483_100000747473 [0,1,0,0,0,0|2,0,0]=3 1526 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,1,0,0,0,0|1,0,0]=2 1527 B9R0.1 CCC(O)CNCC(C)O 2230a_100000210904_100011218378 [0,1,0,0,0,0|2,0,1]=4 1528 B9R0.1 CCC(O)CNCC(C)O 2230a_100011218483_100011218427 [0,1,0,0,0,0|2,0,1]=4 1529 B9R0.1 CCC(O)CNCC(C)O 34a_100000210904_100011218378 [0,1,0,0,0,0|2,0,1]=4 1530 B9R0.1 CCC(O)CNC[C@@H](C)O 2230a_100011218483_100009817552 [0,1,0,0,0,0|2,0,1]=4 1531 B9R0.1 CCC(O)CNNC(=O)C 22a_100015206393_100000070787 [0,1,0,0,0,0|3,0,0]=4 1532 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,1,0,0,0,0|2,0,0]=3 1533 B9R0.1 CCC(O)CSCC(=O)N 62a_100000747473_100011218378 [0,1,0,0,0,0|2,0,0]=3 1534 B9R0.1 CCC(O)CSCC(=O)N 62a_100011218378_100000747473 [0,1,0,0,0,0|2,0,0]=3 1535 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100011218378_100020667443 [0,1,0,0,0,0|1,0,1]=3 1536 B9R0.1 CCC(O)CSCC(=O)[O-] 62a_100020667443_100011218378 [0,1,0,0,0,0|1,0,1]=3 1537 B9R0.1 CCC(O)CSCC(C)O 62a_100011218378_100011218427 [0,1,0,0,0,0|2,0,1]=4 1538 B9R0.1 CCC(O)CSCC(C)O 62a_100011218427_100011218378 [0,1,0,0,0,0|2,0,1]=4 1539 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100009817552_100011218378 [0,1,0,0,0,0|2,0,1]=4 1540 B9R0.1 CCC(O)CSC[C@@H](C)O 62a_100011218378_100009817552 [0,1,0,0,0,0|2,0,1]=4 1541 B9R0.1 CCC(O)CSC[N+](=O)[O-] 62a_100011218378_100000761209 [0,1,0,0,0,0|2,0,1]=4 1542 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,1,0,0,0,0|2,0,0]=3 1543 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,1,0,0,0,0|2,0,0]=3 1544 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [0,1,0,0,0,0|2,0,0]=3 1545 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,1,0,0,0,0|1,0,0]=2 1546 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [0,1,0,0,0,0|2,0,1]=4 1547 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [0,1,0,0,0,0|2,0,1]=4 1548 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,1,0,0,0,0|3,0,0]=4 1549 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,1,0,0,0,0|3,0,0]=4 1550 B9R0.1 CCN(C)CCNC(=O)N 2230a_100000225621_200000034859 [0,1,0,0,0,0|3,0,0]=4 1551 B9R0.1 CCN(C)CCNC(=O)N 269982a_100000225621_200000034859 [0,1,0,0,0,0|3,0,0]=4 1552 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,1,0,0,0,0|3,0,0]=4 1553 B9R0.1 CCN(C)CCOC(=O)N 269982a_100000225621_200011214921 [0,1,0,0,0,0|3,0,0]=4 1554 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [0,1,0,0,0,0|2,0,0]=3 1555 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,1,0,0,0,0|1,0,0]=2 1556 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [0,1,0,0,0,0|2,0,1]=4 1557 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [0,1,0,0,0,0|2,0,1]=4 1558 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,1,0,0,0,0|2,0,0]=3 1559 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [0,1,0,0,0,0|2,0,0]=3 1560 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [0,1,0,0,0,0|2,0,1]=4 1561 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [0,1,0,0,0,0|2,0,1]=4 1562 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [0,1,0,0,0,0|2,0,0]=3 1563 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [0,1,0,0,0,0|2,0,0]=3 1564 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [0,1,0,0,0,0|1,0,1]=3 1565 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [0,1,0,0,0,0|1,0,1]=3 1566 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,1,0,0,0,0|2,0,1]=4 1567 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,1,0,0,0,0|2,0,1]=4 1568 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,1,0,0,0,0|2,0,1]=4 1569 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,1,0,0,0,0|2,0,1]=4 1570 B9R0.1 CC[C@H](C)CSC[N+](=O)[O-] 62a_100009816398_100000761209 [0,1,0,0,0,0|2,0,1]=4 1571 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,1,0,0,0,0|2,0,0]=3 1572 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,1,0,0,0,0|2,0,1]=4 1573 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [0,1,0,0,0,0|2,0,1]=4 1574 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,0,0,0,0|2,0,1]=4 1575 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,0,0,0,0|2,0,1]=4 1576 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,0,0,0,0|2,0,1]=4 1577 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,1,0,0,0,0|2,0,1]=4 1578 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,1,0,0,0,0|1,0,1]=3 1579 B9R0.1 COC(C)COCC(=O)N 34a_100000690652_100000187820 [0,1,0,0,0,0|3,0,0]=4 1580 B9R0.1 COC(C)COCC(=O)[O-] 34a_100000690652_100020667443 [0,1,0,0,0,0|2,0,1]=4 1581 B9R0.1 COC(C)NOCC(=O)O 269956a_100000106656_100009879195 [0,1,0,0,0,0|3,0,0]=4 1582 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,1,0,0,0,0|3,0,0]=4 1583 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,1,0,0,0,0|3,0,0]=4 1584 B9R0.1 COC(C)SCCC(=O)N 62a_100000744528_100009879195 [0,1,0,0,0,0|3,0,0]=4 1585 B9R0.1 COC(C)SCCC(=O)N 62a_100009879195_100000744528 [0,1,0,0,0,0|3,0,0]=4 1586 B9R0.1 CO[C@H](C)CNCC(=O)N 2230a_100020591295_100000747473 [0,1,0,0,0,0|3,0,0]=4 1587 B9R0.1 C[C@@H](CO)CNCC(=O)N 2230a_100000711301_100000059175 [0,1,0,0,0,0|3,0,0]=4 1588 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,1,0,0,0,0|2,0,0]=3 1589 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000059175_100000747473 [0,1,0,0,0,0|3,0,0]=4 1590 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000747473_100000059175 [0,1,0,0,0,0|3,0,0]=4 1591 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100000059175_100020667443 [0,1,0,0,0,0|2,0,1]=4 1592 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100020667443_100000059175 [0,1,0,0,0,0|2,0,1]=4 1593 B9R0.1 C[C@H](CO)NCCC(=O)N 2230a_100000737577_100000744528 [0,1,0,0,0,0|3,0,0]=4 1594 B9R0.1 C[C@H](CO)NOCC(=O)O 269956a_100000106656_100016084084 [0,1,0,0,0,0|3,0,0]=4 1595 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100000744528_100016084084 [0,1,0,0,0,0|3,0,0]=4 1596 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100016084084_100000744528 [0,1,0,0,0,0|3,0,0]=4 1597 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [0,1,0,0,0,0|2,0,1]=4 1598 B9R0.1 NC(=O)CNCC(O)CO 2230a_100000711301_100011219619 [0,1,0,0,0,0|3,0,0]=4 1599 B9R0.1 NC(=O)CNC[C@@H](F)CO 34a_100015665980_100000187820 [0,1,0,0,0,0|3,0,0]=4 1600 B9R0.1 NC(=O)CNC[C@@H](O)CF 2230a_100000711301_100015614560 [0,1,0,0,0,0|3,0,0]=4 1601 B9R0.1 NC(=O)CNC[C@@H](O)CO 2230a_100000711301_100009815848 [0,1,0,0,0,0|3,0,0]=4 1602 B9R0.1 NC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747473 [0,1,0,0,0,0|3,0,0]=4 1603 B9R0.1 NC(=O)COCC(Cl)CCl 34a_100000033668_100000187820 [0,1,0,0,0,0|3,0,0]=4 1604 B9R0.1 NC(=O)CSCC(O)CO 62a_100000747473_100011219619 [0,1,0,0,0,0|3,0,0]=4 1605 B9R0.1 NC(=O)CSCC(O)CO 62a_100011219619_100000747473 [0,1,0,0,0,0|3,0,0]=4 1606 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100000747473_100015614560 [0,1,0,0,0,0|3,0,0]=4 1607 B9R0.1 NC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747473 [0,1,0,0,0,0|3,0,0]=4 1608 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100000747473_100009815848 [0,1,0,0,0,0|3,0,0]=4 1609 B9R0.1 NC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747473 [0,1,0,0,0,0|3,0,0]=4 1610 B9R0.1 NC[C@@H](F)COCC(=O)N 34a_100015665980_100000187820 [0,1,0,0,0,0|3,0,0]=4 1611 B9R0.1 NC[C@@H](F)COCC(=O)[O-] 34a_100015665980_100020667443 [0,1,0,0,0,0|2,0,1]=4 1612 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,1,0,0,0,0|2,0,0]=3 1613 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,1,0,0,0,0|2,0,0]=3 1614 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,1,0,0,0,0|2,0,0]=3 1615 B9R0.1 O=C([O-])CNC[C@@H](F)CO 34a_100015665980_100020667443 [0,1,0,0,0,0|2,0,1]=4 1616 B9R0.1 O=C([O-])COCC(Cl)CCl 34a_100000033668_100020667443 [0,1,0,0,0,0|2,0,1]=4 1617 B9R0.1 O=C([O-])CSCC(O)CO 62a_100011219619_100020667443 [0,1,0,0,0,0|2,0,1]=4 1618 B9R0.1 O=C([O-])CSCC(O)CO 62a_100020667443_100011219619 [0,1,0,0,0,0|2,0,1]=4 1619 B9R0.1 O=C([O-])CSC[C@@H](O)CF 62a_100015614560_100020667443 [0,1,0,0,0,0|2,0,1]=4 1620 B9R0.1 O=C([O-])CSC[C@@H](O)CF 62a_100020667443_100015614560 [0,1,0,0,0,0|2,0,1]=4 1621 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100009815848_100020667443 [0,1,0,0,0,0|2,0,1]=4 1622 B9R0.1 O=C([O-])CSC[C@@H](O)CO 62a_100020667443_100009815848 [0,1,0,0,0,0|2,0,1]=4 1623 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,1,0,0,0,0|1,0,1]=3 1624 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,1,0,0,0,0|1,0,1]=3 1625 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,1,0,0,0,0|1,0,1]=3 1626 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [0,1,0,0,0,0|1,0,2]=4 1627 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [0,1,0,0,0,0|1,0,2]=4 1628 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [0,1,0,0,0,0|1,0,2]=4 1629 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [0,1,0,0,0,0|1,0,2]=4 1630 B9R0.2 C#CCCCNCC(=O)N 2230a_100000711301_100000731252 [0,1,0,0,0,0|1,0,2]=4 1631 B9R0.2 C#CCCCNCC(=O)N 34a_100000718082_100000187820 [0,1,0,0,0,0|1,0,2]=4 1632 B9R0.2 C#CCCCNCC(=O)O 269956a_100016091260_100011215417 [0,1,0,0,0,0|0,0,2]=3 1633 B9R0.2 C#CCCCNCC(=O)[O-] 34a_100000718082_100020667443 [0,1,0,0,0,0|0,0,3]=4 1634 B9R0.2 C#CCCCOCC(=O)C 34a_100000211253_100000695029 [0,1,0,0,0,0|1,0,2]=4 1635 B9R0.2 C#CCCCOCC(=O)N 34a_100000215630_100000187820 [0,1,0,0,0,0|1,0,2]=4 1636 B9R0.2 C#CCCCOCC(=O)N 7a_100000215630_100000187820 [0,1,0,0,0,0|1,0,2]=4 1637 B9R0.2 C#CCCCOCC(=O)[O-] 34a_100000215630_100020667443 [0,1,0,0,0,0|0,0,3]=4 1638 B9R0.2 C#CCCCSCC(=O)N 62a_100000747473_100011215417 [0,1,0,0,0,0|1,0,2]=4 1639 B9R0.2 C#CCCCSCC(=O)N 62a_100011215417_100000747473 [0,1,0,0,0,0|1,0,2]=4 1640 B9R0.2 C#CCCCSCC(=O)[O-] 62a_100011215417_100020667443 [0,1,0,0,0,0|0,0,3]=4 1641 B9R0.2 C#CCCCSCC(=O)[O-] 62a_100020667443_100011215417 [0,1,0,0,0,0|0,0,3]=4 1642 B9R0.2 C#CCCNCCC(=O)N 34a_100000755551_100000731001 [0,1,0,0,0,0|1,0,2]=4 1643 B9R0.2 C#CCCNOCC(=O)O 269956a_100000106656_100000688953 [0,1,0,0,0,0|1,0,2]=4 1644 B9R0.2 C#CCCOCCC(=O)C 34a_100000759926_100000688953 [0,1,0,0,0,0|1,0,2]=4 1645 B9R0.2 C#CCCOCCC(=O)C 7a_100000759926_100000688953 [0,1,0,0,0,0|1,0,2]=4 1646 B9R0.2 C#CCCOCCC(=O)N 34a_100000757172_100000688953 [0,1,0,0,0,0|1,0,2]=4 1647 B9R0.2 C#CCCOCCC(=O)N 34a_100011215631_100000731001 [0,1,0,0,0,0|1,0,2]=4 1648 B9R0.2 C#CCCOCCC(=O)N 7a_100000757172_100000688953 [0,1,0,0,0,0|1,0,2]=4 1649 B9R0.2 C#CCCSCCC(=O)C 62a_100000053229_100000688953 [0,1,0,0,0,0|1,0,2]=4 1650 B9R0.2 C#CCCSCCC(=O)C 62a_100000688953_100000053229 [0,1,0,0,0,0|1,0,2]=4 1651 B9R0.2 C#CCCSCCC(=O)N 62a_100000688953_100000744528 [0,1,0,0,0,0|1,0,2]=4 1652 B9R0.2 C#CCCSCCC(=O)N 62a_100000744528_100000688953 [0,1,0,0,0,0|1,0,2]=4 1653 B9R0.2 C#CCNCCCC(=O)C 34a_100000212058_100000685027 [0,1,0,0,0,0|1,0,2]=4 1654 B9R0.2 C#CCNCCCC(=O)N 34a_100000212058_100102525003 [0,1,0,0,0,0|1,0,2]=4 1655 B9R0.2 C#CCNCCCC(=O)N 34a_100000739312_100000184674 [0,1,0,0,0,0|1,0,2]=4 1656 B9R0.2 C#CCOCCCC(=O)C 34a_100000210247_100000685027 [0,1,0,0,0,0|1,0,2]=4 1657 B9R0.2 C#CCOCCCC(=O)C 34a_100000759063_100000184674 [0,1,0,0,0,0|1,0,2]=4 1658 B9R0.2 C#CCOCCCC(=O)C 7a_100000759063_100000038162 [0,1,0,0,0,0|1,0,2]=4 1659 B9R0.2 C#CCOCCCC(=O)N 34a_100000210247_100102525003 [0,1,0,0,0,0|1,0,2]=4 1660 B9R0.2 C#CCSCCCC(=O)C 62a_100000038162_100011215641 [0,1,0,0,0,0|1,0,2]=4 1661 B9R0.2 C#CCSCCCC(=O)N 62a_100000038162_100102525003 [0,1,0,0,0,0|1,0,2]=4 1662 B9R0.2 C/C=C/CCOCC(=O)N 34a_100016278192_100000187820 [0,1,0,0,0,0|1,0,2]=4 1663 B9R0.2 C/C=C/CCOCC(=O)[O-] 34a_100016278192_100020667443 [0,1,0,0,0,0|0,0,3]=4 1664 B9R0.2 C/C=C/CNOCC(=O)O 269956a_100000106656_100102629194 [0,1,0,0,0,0|1,0,2]=4 1665 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [0,1,0,0,0,0|1,0,2]=4 1666 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [0,1,0,0,0,0|1,0,2]=4 1667 B9R0.2 C/C=C/COCCC(=O)N 34a_100000757172_100102629194 [0,1,0,0,0,0|1,0,2]=4 1668 B9R0.2 C/C=C/COCCC(=O)N 34a_100016270725_100000731001 [0,1,0,0,0,0|1,0,2]=4 1669 B9R0.2 C/C=C/COCCC(=O)N 7a_100000757172_100102629194 [0,1,0,0,0,0|1,0,2]=4 1670 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [0,1,0,0,0,0|1,0,2]=4 1671 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [0,1,0,0,0,0|1,0,2]=4 1672 B9R0.2 C/C=C/CSCCC(=O)N 62a_100000744528_100102629194 [0,1,0,0,0,0|1,0,2]=4 1673 B9R0.2 C/C=C/CSCCC(=O)N 62a_100102629194_100000744528 [0,1,0,0,0,0|1,0,2]=4 1674 B9R0.2 C=C(Br)CCOCCCC 34a_100009813270_100000210210 [0,1,0,0,0,0|2,0,0]=3 1675 B9R0.2 C=C(Br)CCOCCCF 34a_100009813270_100011934791 [0,1,0,0,0,0|3,0,0]=4 1676 B9R0.2 C=C(Br)CCOCCCO 34a_100009813270_100000230001 [0,1,0,0,0,0|3,0,0]=4 1677 B9R0.2 C=C(Br)CCOCCOC 34a_100009813270_100011201679 [0,1,0,0,0,0|3,0,0]=4 1678 B9R0.2 C=C(Br)CCOCCSC 34a_100009813270_100000212216 [0,1,0,0,0,0|3,0,0]=4 1679 B9R0.2 C=C(C)CCNCCCC 2230a_100000102301_100000730704 [0,1,0,0,0,0|2,0,0]=3 1680 B9R0.2 C=C(C)CCNCCCC 7a_106832991798_100000730704 [0,1,0,0,0,0|2,0,0]=3 1681 B9R0.2 C=C(C)CCNCCCF 2230a_100015189416_100000730704 [0,1,0,0,0,0|3,0,0]=4 1682 B9R0.2 C=C(C)CCNCCCF 34a_100015189416_100000730704 [0,1,0,0,0,0|3,0,0]=4 1683 B9R0.2 C=C(C)CCNCCOC 2230a_100000209980_100000730704 [0,1,0,0,0,0|3,0,0]=4 1684 B9R0.2 C=C(C)CCNCCSC 2230a_100020590264_100000730704 [0,1,0,0,0,0|3,0,0]=4 1685 B9R0.2 C=C(C)CCOCCCBr 34a_100011217188_100000730704 [0,1,0,0,0,0|3,0,0]=4 1686 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [0,1,0,0,0,0|2,0,0]=3 1687 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [0,1,0,0,0,0|2,0,0]=3 1688 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [0,1,0,0,0,0|2,0,0]=3 1689 B9R0.2 C=C(C)CCOCCCCl 34a_100000230001_100000730704 [0,1,0,0,0,0|3,0,0]=4 1690 B9R0.2 C=C(C)CCOCCCF 34a_100000759539_100000730704 [0,1,0,0,0,0|3,0,0]=4 1691 B9R0.2 C=C(C)CCOCCCF 34a_100000764851_100011934791 [0,1,0,0,0,0|3,0,0]=4 1692 B9R0.2 C=C(C)CCOCCCN 34a_100000182051_100000730704 [0,1,0,0,0,0|3,0,0]=4 1693 B9R0.2 C=C(C)CCOCCCO 34a_100000764851_100000230001 [0,1,0,0,0,0|3,0,0]=4 1694 B9R0.2 C=C(C)CCOCCOC 34a_100000210237_100000730704 [0,1,0,0,0,0|3,0,0]=4 1695 B9R0.2 C=C(C)CCOCCOC 34a_100000764851_100011201679 [0,1,0,0,0,0|3,0,0]=4 1696 B9R0.2 C=C(C)CCOCCSC 34a_100000230434_100000730704 [0,1,0,0,0,0|3,0,0]=4 1697 B9R0.2 C=C(C)CCOCCSC 34a_100000764851_100000212216 [0,1,0,0,0,0|3,0,0]=4 1698 B9R0.2 C=C(C)CCOCCSC 7a_100000230434_100000730704 [0,1,0,0,0,0|3,0,0]=4 1699 B9R0.2 C=C(C)CCSCCCC 62a_100000210211_100000730704 [0,1,0,0,0,0|2,0,0]=3 1700 B9R0.2 C=C(C)CCSCCCC 62a_100000730704_100000210210 [0,1,0,0,0,0|2,0,0]=3 1701 B9R0.2 C=C(C)CCSCCCF 62a_100000730704_100011934791 [0,1,0,0,0,0|3,0,0]=4 1702 B9R0.2 C=C(C)CCSCCCF 62a_100011934791_100000730704 [0,1,0,0,0,0|3,0,0]=4 1703 B9R0.2 C=C(C)CCSCCCO 62a_100000730704_100011215043 [0,1,0,0,0,0|3,0,0]=4 1704 B9R0.2 C=C(C)CCSCCCO 62a_100011215043_100000730704 [0,1,0,0,0,0|3,0,0]=4 1705 B9R0.2 C=C(C)CCSCCOC 62a_100000233755_100000730704 [0,1,0,0,0,0|3,0,0]=4 1706 B9R0.2 C=C(C)CCSCCOC 62a_100000730704_100000233755 [0,1,0,0,0,0|3,0,0]=4 1707 B9R0.2 C=C(C)CCSCCSC 62a_100000212216_100000730704 [0,1,0,0,0,0|3,0,0]=4 1708 B9R0.2 C=C(C)CCSCCSC 62a_100000730704_100000751147 [0,1,0,0,0,0|3,0,0]=4 1709 B9R0.2 C=C(C)CCSCOCC 62a_100000730704_100000739092 [0,1,0,0,0,0|3,0,0]=4 1710 B9R0.2 C=C(C)CCSCOCC 62a_100000739092_100000730704 [0,1,0,0,0,0|3,0,0]=4 1711 B9R0.2 C=C(C)CNCCCCC 2230a_100000209983_100000748629 [0,1,0,0,0,0|2,0,0]=3 1712 B9R0.2 C=C(C)CNCCCCO 2230a_100000750430_100000748629 [0,1,0,0,0,0|3,0,0]=4 1713 B9R0.2 C=C(C)CNCCCCO 34a_100000750430_100000748629 [0,1,0,0,0,0|3,0,0]=4 1714 B9R0.2 C=C(C)CNCCCOC 34a_100150723488_100000748629 [0,1,0,0,0,0|3,0,0]=4 1715 B9R0.2 C=C(C)CNCCCSC 2230a_100000749238_100000748629 [0,1,0,0,0,0|3,0,0]=4 1716 B9R0.2 C=C(C)CNCCOCC 2230a_102516460346_100000748629 [0,1,0,0,0,0|3,0,0]=4 1717 B9R0.2 C=C(C)CNCCOCC 34a_102516460346_100000748629 [0,1,0,0,0,0|3,0,0]=4 1718 B9R0.2 C=C(C)CNCCSCC 2230a_100000106463_100000748629 [0,1,0,0,0,0|3,0,0]=4 1719 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [0,1,0,0,0,0|3,0,0]=4 1720 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,1,0,0,0,0|2,0,0]=3 1721 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,1,0,0,0,0|2,0,0]=3 1722 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,1,0,0,0,0|2,0,0]=3 1723 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [0,1,0,0,0,0|3,0,0]=4 1724 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [0,1,0,0,0,0|3,0,0]=4 1725 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [0,1,0,0,0,0|3,0,0]=4 1726 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [0,1,0,0,0,0|3,0,0]=4 1727 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [0,1,0,0,0,0|3,0,0]=4 1728 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [0,1,0,0,0,0|3,0,0]=4 1729 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [0,1,0,0,0,0|3,0,0]=4 1730 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,1,0,0,0,0|3,0,0]=4 1731 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [0,1,0,0,0,0|3,0,0]=4 1732 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [0,1,0,0,0,0|3,0,0]=4 1733 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [0,1,0,0,0,0|3,0,0]=4 1734 B9R0.2 C=C(C)COCCCSC 34a_100000690336_100000748629 [0,1,0,0,0,0|3,0,0]=4 1735 B9R0.2 C=C(C)COCCCSC 7a_100000690336_100000748629 [0,1,0,0,0,0|3,0,0]=4 1736 B9R0.2 C=C(C)COCCOCC 34a_100000210136_100000748629 [0,1,0,0,0,0|3,0,0]=4 1737 B9R0.2 C=C(C)COCCOCC 34a_100000210245_100000210147 [0,1,0,0,0,0|3,0,0]=4 1738 B9R0.2 C=C(C)COCCOCC 7a_100000210136_100000748629 [0,1,0,0,0,0|3,0,0]=4 1739 B9R0.2 C=C(C)COCCSCC 34a_100000210245_100000757381 [0,1,0,0,0,0|3,0,0]=4 1740 B9R0.2 C=C(C)COCCSCC 34a_100000212035_100000748629 [0,1,0,0,0,0|3,0,0]=4 1741 B9R0.2 C=C(C)COCCSCC 7a_100000212035_100000748629 [0,1,0,0,0,0|3,0,0]=4 1742 B9R0.2 C=C(C)CSCCCCC 62a_100000210326_100000211660 [0,1,0,0,0,0|2,0,0]=3 1743 B9R0.2 C=C(C)CSCCCCC 62a_100000748629_100000210326 [0,1,0,0,0,0|2,0,0]=3 1744 B9R0.2 C=C(C)CSCCCCF 62a_100000729493_100000211660 [0,1,0,0,0,0|3,0,0]=4 1745 B9R0.2 C=C(C)CSCCCCF 62a_100000748629_100000729493 [0,1,0,0,0,0|3,0,0]=4 1746 B9R0.2 C=C(C)CSCCCCO 62a_100000210776_100000211660 [0,1,0,0,0,0|3,0,0]=4 1747 B9R0.2 C=C(C)CSCCCCO 62a_100000748629_100000210776 [0,1,0,0,0,0|3,0,0]=4 1748 B9R0.2 C=C(C)CSCCCOC 62a_100000709357_100000211660 [0,1,0,0,0,0|3,0,0]=4 1749 B9R0.2 C=C(C)CSCCCOC 62a_100000748629_100000709357 [0,1,0,0,0,0|3,0,0]=4 1750 B9R0.2 C=C(C)CSCCOCC 62a_100000210147_100000211660 [0,1,0,0,0,0|3,0,0]=4 1751 B9R0.2 C=C(C)CSCCOCC 62a_100000748629_100011215890 [0,1,0,0,0,0|3,0,0]=4 1752 B9R0.2 C=C(C)CSCCSCC 62a_100000748629_100000757381 [0,1,0,0,0,0|3,0,0]=4 1753 B9R0.2 C=C(C)CSCCSCC 62a_100000757381_100000211660 [0,1,0,0,0,0|3,0,0]=4 1754 B9R0.2 C=C(F)CNCCCCC 2230a_100000209983_100009893438 [0,1,0,0,0,0|2,0,0]=3 1755 B9R0.2 C=C(F)CNCCCCO 2230a_100000750430_100009893438 [0,1,0,0,0,0|3,0,0]=4 1756 B9R0.2 C=C(F)CNCCCCO 34a_100000750430_100009893438 [0,1,0,0,0,0|3,0,0]=4 1757 B9R0.2 C=C(F)CNCCCOC 34a_100150723488_100009893438 [0,1,0,0,0,0|3,0,0]=4 1758 B9R0.2 C=C(F)CNCCCSC 2230a_100000749238_100009893438 [0,1,0,0,0,0|3,0,0]=4 1759 B9R0.2 C=C(F)CNCCOCC 2230a_102516460346_100009893438 [0,1,0,0,0,0|3,0,0]=4 1760 B9R0.2 C=C(F)CNCCOCC 34a_102516460346_100009893438 [0,1,0,0,0,0|3,0,0]=4 1761 B9R0.2 C=C(F)CNCCSCC 2230a_100000106463_100009893438 [0,1,0,0,0,0|3,0,0]=4 1762 B9R0.2 C=C(F)COCCCCBr 34a_100011216708_100009893438 [0,1,0,0,0,0|3,0,0]=4 1763 B9R0.2 C=C(F)COCCCCC 34a_100000210253_100009893438 [0,1,0,0,0,0|2,0,0]=3 1764 B9R0.2 C=C(F)COCCCCC 34a_200010262243_100000718602 [0,1,0,0,0,0|2,0,0]=3 1765 B9R0.2 C=C(F)COCCCCC 7a_100000210253_100000042424 [0,1,0,0,0,0|2,0,0]=3 1766 B9R0.2 C=C(F)COCCCCCl 34a_100000210776_100009893438 [0,1,0,0,0,0|3,0,0]=4 1767 B9R0.2 C=C(F)COCCCCCl 7a_100000210776_100000042424 [0,1,0,0,0,0|3,0,0]=4 1768 B9R0.2 C=C(F)COCCCCF 34a_100011995726_100009893438 [0,1,0,0,0,0|3,0,0]=4 1769 B9R0.2 C=C(F)COCCCCF 34a_200010262243_100000729493 [0,1,0,0,0,0|3,0,0]=4 1770 B9R0.2 C=C(F)COCCCCF 7a_100011995726_100000042424 [0,1,0,0,0,0|3,0,0]=4 1771 B9R0.2 C=C(F)COCCCCI 34a_200012148704_100009893438 [0,1,0,0,0,0|3,0,0]=4 1772 B9R0.2 C=C(F)COCCCCN 34a_100000750430_100009893438 [0,1,0,0,0,0|3,0,0]=4 1773 B9R0.2 C=C(F)COCCCCO 34a_200010262243_100011216708 [0,1,0,0,0,0|3,0,0]=4 1774 B9R0.2 C=C(F)COCCCNC 34a_100000213112_100009893438 [0,1,0,0,0,0|3,0,0]=4 1775 B9R0.2 C=C(F)COCCCOC 34a_100000740835_100009893438 [0,1,0,0,0,0|3,0,0]=4 1776 B9R0.2 C=C(F)COCCCOC 34a_200010262243_100000740836 [0,1,0,0,0,0|3,0,0]=4 1777 B9R0.2 C=C(F)COCCCSC 34a_100000690336_100009893438 [0,1,0,0,0,0|3,0,0]=4 1778 B9R0.2 C=C(F)COCCCSC 7a_100000690336_100000042424 [0,1,0,0,0,0|3,0,0]=4 1779 B9R0.2 C=C(F)COCCOCC 34a_100000210136_100009893438 [0,1,0,0,0,0|3,0,0]=4 1780 B9R0.2 C=C(F)COCCOCC 34a_200010262243_100000210147 [0,1,0,0,0,0|3,0,0]=4 1781 B9R0.2 C=C(F)COCCOCC 7a_100000210136_100000042424 [0,1,0,0,0,0|3,0,0]=4 1782 B9R0.2 C=C(F)COCCSCC 34a_100000212035_100009893438 [0,1,0,0,0,0|3,0,0]=4 1783 B9R0.2 C=C(F)COCCSCC 34a_200010262243_100000757381 [0,1,0,0,0,0|3,0,0]=4 1784 B9R0.2 C=C(F)COCCSCC 7a_100000212035_100000042424 [0,1,0,0,0,0|3,0,0]=4 1785 B9R0.2 C=C(F)CSCCCCC 62a_100000042424_100000210326 [0,1,0,0,0,0|2,0,0]=3 1786 B9R0.2 C=C(F)CSCCCCC 62a_100000210326_100000042424 [0,1,0,0,0,0|2,0,0]=3 1787 B9R0.2 C=C(F)CSCCCCF 62a_100000042424_100000729493 [0,1,0,0,0,0|3,0,0]=4 1788 B9R0.2 C=C(F)CSCCCCF 62a_100000729493_100000042424 [0,1,0,0,0,0|3,0,0]=4 1789 B9R0.2 C=C(F)CSCCCCO 62a_100000042424_100000210776 [0,1,0,0,0,0|3,0,0]=4 1790 B9R0.2 C=C(F)CSCCCCO 62a_100000210776_100000042424 [0,1,0,0,0,0|3,0,0]=4 1791 B9R0.2 C=C(F)CSCCCOC 62a_100000042424_100000709357 [0,1,0,0,0,0|3,0,0]=4 1792 B9R0.2 C=C(F)CSCCCOC 62a_100000709357_100000042424 [0,1,0,0,0,0|3,0,0]=4 1793 B9R0.2 C=C(F)CSCCOCC 62a_100000042424_100011215890 [0,1,0,0,0,0|3,0,0]=4 1794 B9R0.2 C=C(F)CSCCOCC 62a_100000210147_100000042424 [0,1,0,0,0,0|3,0,0]=4 1795 B9R0.2 C=C(F)CSCCSCC 62a_100000042424_100000757381 [0,1,0,0,0,0|3,0,0]=4 1796 B9R0.2 C=C(F)CSCCSCC 62a_100000757381_100000042424 [0,1,0,0,0,0|3,0,0]=4 1797 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,1,0,0,0,0|1,0,1]=3 1798 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,1,0,0,0,0|1,0,1]=3 1799 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,1,0,0,0,0|1,0,1]=3 1800 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [0,1,0,0,0,0|1,0,2]=4 1801 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [0,1,0,0,0,0|1,0,2]=4 1802 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [0,1,0,0,0,0|1,0,2]=4 1803 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [0,1,0,0,0,0|1,0,2]=4 1804 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [0,1,0,0,0,0|1,0,2]=4 1805 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [0,1,0,0,0,0|1,0,2]=4 1806 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [0,1,0,0,0,0|1,0,2]=4 1807 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,1,0,0,0,0|0,0,2]=3 1808 B9R0.2 C=CCCCNCC(=O)[O-] 34a_100000700776_100020667443 [0,1,0,0,0,0|0,0,3]=4 1809 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [0,1,0,0,0,0|1,0,2]=4 1810 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [0,1,0,0,0,0|1,0,2]=4 1811 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [0,1,0,0,0,0|1,0,2]=4 1812 B9R0.2 C=CCCCOCC(=O)[O-] 34a_100000758997_100020667443 [0,1,0,0,0,0|0,0,3]=4 1813 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [0,1,0,0,0,0|1,0,2]=4 1814 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [0,1,0,0,0,0|1,0,2]=4 1815 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [0,1,0,0,0,0|0,0,3]=4 1816 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [0,1,0,0,0,0|0,0,3]=4 1817 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [0,1,0,0,0,0|1,0,2]=4 1818 B9R0.2 C=CCCNOCC(=O)O 269956a_100000106656_100000754431 [0,1,0,0,0,0|1,0,2]=4 1819 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [0,1,0,0,0,0|1,0,2]=4 1820 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [0,1,0,0,0,0|1,0,2]=4 1821 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [0,1,0,0,0,0|1,0,2]=4 1822 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [0,1,0,0,0,0|1,0,2]=4 1823 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [0,1,0,0,0,0|1,0,2]=4 1824 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [0,1,0,0,0,0|1,0,2]=4 1825 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [0,1,0,0,0,0|1,0,2]=4 1826 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [0,1,0,0,0,0|1,0,2]=4 1827 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [0,1,0,0,0,0|1,0,2]=4 1828 B9R0.2 C=CCNCCCC(=O)N 34a_100000739312_100015514636 [0,1,0,0,0,0|1,0,2]=4 1829 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [0,1,0,0,0,0|1,0,2]=4 1830 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [0,1,0,0,0,0|1,0,2]=4 1831 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [0,1,0,0,0,0|1,0,2]=4 1832 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [0,1,0,0,0,0|1,0,2]=4 1833 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [0,1,0,0,0,0|1,0,2]=4 1834 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [0,1,0,0,0,0|1,0,2]=4 1835 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [0,1,0,0,0,0|1,0,2]=4 1836 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [0,1,0,0,0,0|1,0,2]=4 1837 B9R0.2 C=COCCNCC(=O)O 269956a_100016091260_100000039644 [0,1,0,0,0,0|1,0,2]=4 1838 B9R0.2 CC#CCCOCC(=O)N 34a_100000750427_100000187820 [0,1,0,0,0,0|1,0,2]=4 1839 B9R0.2 CC#CCCOCC(=O)[O-] 34a_100000750427_100020667443 [0,1,0,0,0,0|0,0,3]=4 1840 B9R0.2 CC#CCNCCC(=O)N 2230a_100000685387_100000744528 [0,1,0,0,0,0|1,0,2]=4 1841 B9R0.2 CC#CCNCCC(=O)N 34a_100000685387_100000731001 [0,1,0,0,0,0|1,0,2]=4 1842 B9R0.2 CC#CCNOCC(=O)O 269956a_100000106656_100000748600 [0,1,0,0,0,0|1,0,2]=4 1843 B9R0.2 CC#CCOCCC(=O)C 34a_100000759926_100000748600 [0,1,0,0,0,0|1,0,2]=4 1844 B9R0.2 CC#CCOCCC(=O)C 7a_100000759926_100000748600 [0,1,0,0,0,0|1,0,2]=4 1845 B9R0.2 CC#CCOCCC(=O)N 34a_100000757172_100000748600 [0,1,0,0,0,0|1,0,2]=4 1846 B9R0.2 CC#CCOCCC(=O)N 34a_100000761923_100000731001 [0,1,0,0,0,0|1,0,2]=4 1847 B9R0.2 CC#CCOCCC(=O)N 7a_100000757172_100000748600 [0,1,0,0,0,0|1,0,2]=4 1848 B9R0.2 CC#CCSCCC(=O)C 62a_100000053229_100000748600 [0,1,0,0,0,0|1,0,2]=4 1849 B9R0.2 CC#CCSCCC(=O)C 62a_100000748600_100000053229 [0,1,0,0,0,0|1,0,2]=4 1850 B9R0.2 CC#CCSCCC(=O)N 62a_100000744528_100000748600 [0,1,0,0,0,0|1,0,2]=4 1851 B9R0.2 CC#CCSCCC(=O)N 62a_100000748600_100000744528 [0,1,0,0,0,0|1,0,2]=4 1852 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,1,0,0,0,0|1,0,1]=3 1853 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,1,0,0,0,0|1,0,0]=2 1854 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,1,0,0,0,0|1,0,0]=2 1855 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,1,0,0,0,0|1,0,0]=2 1856 B9R0.2 CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200000210301 [0,1,0,0,0,0|3,0,0]=4 1857 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,1,0,0,0,0|2,0,0]=3 1858 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,1,0,0,0,0|2,0,0]=3 1859 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,1,0,0,0,0|2,0,0]=3 1860 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,1,0,0,0,0|2,0,0]=3 1861 B9R0.2 CC(=O)CCCOCC#N 7a_100000759063_100011215382 [0,1,0,0,0,0|2,0,1]=4 1862 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,1,0,0,0,0|2,0,1]=4 1863 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,1,0,0,0,0|2,0,1]=4 1864 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,1,0,0,0,0|2,0,0]=3 1865 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,1,0,0,0,0|2,0,0]=3 1866 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,1,0,0,0,0|2,0,0]=3 1867 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,1,0,0,0,0|2,0,0]=3 1868 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,1,0,0,0,0|2,0,0]=3 1869 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,1,0,0,0,0|2,0,0]=3 1870 B9R0.2 CC(=O)CCCSCC#N 62a_100011215382_100011215641 [0,1,0,0,0,0|2,0,1]=4 1871 B9R0.2 CC(=O)CCCSCC#N 62a_100011215641_100011215382 [0,1,0,0,0,0|2,0,1]=4 1872 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [0,1,0,0,0,0|2,0,1]=4 1873 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [0,1,0,0,0,0|2,0,1]=4 1874 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,1,0,0,0,0|2,0,0]=3 1875 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,1,0,0,0,0|2,0,0]=3 1876 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,1,0,0,0,0|2,0,0]=3 1877 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,1,0,0,0,0|2,0,0]=3 1878 B9R0.2 CC(=O)CCOCCC#N 7a_100000759926_100000184422 [0,1,0,0,0,0|2,0,1]=4 1879 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,1,0,0,0,0|2,0,0]=3 1880 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,1,0,0,0,0|2,0,0]=3 1881 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,1,0,0,0,0|2,0,0]=3 1882 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,1,0,0,0,0|2,0,0]=3 1883 B9R0.2 CC(=O)CCSCCC#N 62a_100000053229_100011215226 [0,1,0,0,0,0|2,0,1]=4 1884 B9R0.2 CC(=O)CCSCCC#N 62a_100011215226_100000053229 [0,1,0,0,0,0|2,0,1]=4 1885 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,1,0,0,0,0|2,0,0]=3 1886 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,1,0,0,0,0|2,0,0]=3 1887 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,1,0,0,0,0|2,0,0]=3 1888 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,1,0,0,0,0|2,0,0]=3 1889 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,1,0,0,0,0|2,0,0]=3 1890 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,1,0,0,0,0|2,0,0]=3 1891 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [0,1,0,0,0,0|2,0,1]=4 1892 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [0,1,0,0,0,0|2,0,1]=4 1893 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [0,1,0,0,0,0|2,0,1]=4 1894 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [0,1,0,0,0,0|2,0,1]=4 1895 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,1,0,0,0,0|2,0,0]=3 1896 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,1,0,0,0,0|2,0,0]=3 1897 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,1,0,0,0,0|2,0,0]=3 1898 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,1,0,0,0,0|3,0,0]=4 1899 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [0,1,0,0,0,0|3,0,0]=4 1900 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,1,0,0,0,0|3,0,0]=4 1901 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,1,0,0,0,0|3,0,0]=4 1902 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,1,0,0,0,0|3,0,0]=4 1903 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [0,1,0,0,0,0|3,0,0]=4 1904 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,1,0,0,0,0|3,0,0]=4 1905 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,1,0,0,0,0|3,0,0]=4 1906 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [0,1,0,0,0,0|3,0,0]=4 1907 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [0,1,0,0,0,0|3,0,0]=4 1908 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,1,0,0,0,0|3,0,0]=4 1909 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,1,0,0,0,0|3,0,0]=4 1910 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,1,0,0,0,0|3,0,0]=4 1911 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,1,0,0,0,0|3,0,0]=4 1912 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,1,0,0,0,0|2,0,0]=3 1913 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,1,0,0,0,0|2,0,0]=3 1914 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,1,0,0,0,0|2,0,0]=3 1915 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,1,0,0,0,0|2,0,0]=3 1916 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,1,0,0,0,0|3,0,0]=4 1917 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,1,0,0,0,0|3,0,0]=4 1918 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,1,0,0,0,0|3,0,0]=4 1919 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,1,0,0,0,0|3,0,0]=4 1920 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [0,1,0,0,0,0|3,0,0]=4 1921 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [0,1,0,0,0,0|3,0,0]=4 1922 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [0,1,0,0,0,0|3,0,0]=4 1923 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [0,1,0,0,0,0|3,0,0]=4 1924 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [0,1,0,0,0,0|3,0,0]=4 1925 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [0,1,0,0,0,0|3,0,0]=4 1926 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,1,0,0,0,0|3,0,0]=4 1927 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,1,0,0,0,0|3,0,0]=4 1928 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,1,0,0,0,0|3,0,0]=4 1929 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [0,1,0,0,0,0|3,0,0]=4 1930 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [0,1,0,0,0,0|3,0,0]=4 1931 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [0,1,0,0,0,0|3,0,0]=4 1932 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [0,1,0,0,0,0|3,0,0]=4 1933 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [0,1,0,0,0,0|3,0,0]=4 1934 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [0,1,0,0,0,0|3,0,0]=4 1935 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,1,0,0,0,0|3,0,0]=4 1936 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,1,0,0,0,0|3,0,0]=4 1937 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,1,0,0,0,0|2,0,0]=3 1938 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,1,0,0,0,0|2,0,0]=3 1939 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [0,1,0,0,0,0|3,0,0]=4 1940 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [0,1,0,0,0,0|3,0,0]=4 1941 B9R0.2 CC(C)CCCCCN[13CH3] 2230a_100011290863_200025704644 [0,1,0,0,0,0|2,0,1]=4 1942 B9R0.2 CC(C)CCCCCN[13CH3] 34a_100011290863_200025704644 [0,1,0,0,0,0|2,0,1]=4 1943 B9R0.2 CC(C)CCCCCO[13CH3] 34a_100011995859_200025704644 [0,1,0,0,0,0|2,0,1]=4 1944 B9R0.2 CC(C)CCCCCO[13CH3] 7a_100011995859_200025704644 [0,1,0,0,0,0|2,0,1]=4 1945 B9R0.2 CC(C)CCCCCS[13CH3] 62a_100000210682_200025704644 [0,1,0,0,0,0|2,0,1]=4 1946 B9R0.2 CC(C)CCCCCS[13CH3] 62a_200025704644_100000210682 [0,1,0,0,0,0|2,0,1]=4 1947 B9R0.2 CC(O)CCCNCCF 34a_100000724931_200000718107 [0,1,0,0,0,0|2,0,1]=4 1948 B9R0.2 CC(O)CCCNCCO 2230a_100016997473_200000718107 [0,1,0,0,0,0|2,0,1]=4 1949 B9R0.2 CC(O)CCCNCCO 34a_100016990907_200000718107 [0,1,0,0,0,0|2,0,1]=4 1950 B9R0.2 CC(O)CCCOCCBr 34a_100000211926_200000718107 [0,1,0,0,0,0|2,0,1]=4 1951 B9R0.2 CC(O)CCCOCCN 34a_100000210304_200000718107 [0,1,0,0,0,0|2,0,1]=4 1952 B9R0.2 CC(O)CCCSCCF 62a_100011217306_200000718107 [0,1,0,0,0,0|2,0,1]=4 1953 B9R0.2 CC(O)CCCSCCF 62a_200000718107_100011217306 [0,1,0,0,0,0|2,0,1]=4 1954 B9R0.2 CC(O)CCCSCCO 62a_100000211926_200000718107 [0,1,0,0,0,0|2,0,1]=4 1955 B9R0.2 CC(O)CCCSCCO 62a_200000718107_100000211926 [0,1,0,0,0,0|2,0,1]=4 1956 B9R0.2 CC(O)CCNCCCF 2230a_100015189416_100012276601 [0,1,0,0,0,0|2,0,1]=4 1957 B9R0.2 CC(O)CCNCCCF 2230a_200000755665_100011934791 [0,1,0,0,0,0|2,0,1]=4 1958 B9R0.2 CC(O)CCNCCCF 34a_100015189416_100012276601 [0,1,0,0,0,0|2,0,1]=4 1959 B9R0.2 CC(O)CCNCCCO 2230a_200000755665_100000230001 [0,1,0,0,0,0|2,0,1]=4 1960 B9R0.2 CC(O)CCOCCCBr 34a_100011217188_100012276601 [0,1,0,0,0,0|2,0,1]=4 1961 B9R0.2 CC(O)CCOCCCCl 34a_100000230001_100012276601 [0,1,0,0,0,0|2,0,1]=4 1962 B9R0.2 CC(O)CCOCCCF 34a_100000759539_100012276601 [0,1,0,0,0,0|2,0,1]=4 1963 B9R0.2 CC(O)CCOCCCN 34a_100000182051_100012276601 [0,1,0,0,0,0|2,0,1]=4 1964 B9R0.2 CC(O)CCSCCCF 62a_100011934791_100012276601 [0,1,0,0,0,0|2,0,1]=4 1965 B9R0.2 CC(O)CCSCCCF 62a_100012276601_100011934791 [0,1,0,0,0,0|2,0,1]=4 1966 B9R0.2 CC(O)CCSCCCO 62a_100011215043_100012276601 [0,1,0,0,0,0|2,0,1]=4 1967 B9R0.2 CC(O)CCSCCCO 62a_100012276601_100011215043 [0,1,0,0,0,0|2,0,1]=4 1968 B9R0.2 CC(O)CNCCCCF 2230a_100000210904_100000729493 [0,1,0,0,0,0|2,0,1]=4 1969 B9R0.2 CC(O)CNCCCCF 34a_100000210904_100000729493 [0,1,0,0,0,0|2,0,1]=4 1970 B9R0.2 CC(O)CNCCCCO 2230a_100000210904_100000210776 [0,1,0,0,0,0|2,0,1]=4 1971 B9R0.2 CC(O)CNCCCCO 2230a_100000750430_100011218427 [0,1,0,0,0,0|2,0,1]=4 1972 B9R0.2 CC(O)CNCCCCO 34a_100000210904_100011216708 [0,1,0,0,0,0|2,0,1]=4 1973 B9R0.2 CC(O)CNCCCCO 34a_100000750430_100011218427 [0,1,0,0,0,0|2,0,1]=4 1974 B9R0.2 CC(O)COCCCCBr 34a_100011216708_100011218427 [0,1,0,0,0,0|2,0,1]=4 1975 B9R0.2 CC(O)COCCCCCl 34a_100000210776_100011218427 [0,1,0,0,0,0|2,0,1]=4 1976 B9R0.2 CC(O)COCCCCCl 7a_100000210776_100011218427 [0,1,0,0,0,0|2,0,1]=4 1977 B9R0.2 CC(O)COCCCCF 34a_100011995726_100011218427 [0,1,0,0,0,0|2,0,1]=4 1978 B9R0.2 CC(O)COCCCCF 7a_100011995726_100011218427 [0,1,0,0,0,0|2,0,1]=4 1979 B9R0.2 CC(O)COCCCCI 34a_200012148704_100011218427 [0,1,0,0,0,0|2,0,1]=4 1980 B9R0.2 CC(O)COCCCCN 34a_100000750430_100011218427 [0,1,0,0,0,0|2,0,1]=4 1981 B9R0.2 CC(O)CSCCCCF 62a_100000729493_100011218427 [0,1,0,0,0,0|2,0,1]=4 1982 B9R0.2 CC(O)CSCCCCF 62a_100011218427_100000729493 [0,1,0,0,0,0|2,0,1]=4 1983 B9R0.2 CC(O)CSCCCCO 62a_100000210776_100011218427 [0,1,0,0,0,0|2,0,1]=4 1984 B9R0.2 CC(O)CSCCCCO 62a_100011218427_100000210776 [0,1,0,0,0,0|2,0,1]=4 1985 B9R0.2 CC/C=C\CNCC(=O)N 2230a_100000711301_100103147603 [0,1,0,0,0,0|1,0,2]=4 1986 B9R0.2 CC/C=C\CNCC(=O)O 269956a_100016091260_100103147603 [0,1,0,0,0,0|0,0,2]=3 1987 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [0,1,0,0,0,0|1,0,2]=4 1988 B9R0.2 CC/C=C\COCC(=O)N 34a_100016268518_100000187820 [0,1,0,0,0,0|1,0,2]=4 1989 B9R0.2 CC/C=C\COCC(=O)[O-] 34a_100016268518_100020667443 [0,1,0,0,0,0|0,0,3]=4 1990 B9R0.2 CC/C=C\CSCC(=O)N 62a_100000747473_100103147603 [0,1,0,0,0,0|1,0,2]=4 1991 B9R0.2 CC/C=C\CSCC(=O)N 62a_100103147603_100000747473 [0,1,0,0,0,0|1,0,2]=4 1992 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100020667443_100103147603 [0,1,0,0,0,0|0,0,3]=4 1993 B9R0.2 CC/C=C\CSCC(=O)[O-] 62a_100103147603_100020667443 [0,1,0,0,0,0|0,0,3]=4 1994 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [0,1,0,0,0,0|1,0,2]=4 1995 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [0,1,0,0,0,0|1,0,2]=4 1996 B9R0.2 CC=CCOCCC(=O)N 34a_100000757172_100000070051 [0,1,0,0,0,0|1,0,2]=4 1997 B9R0.2 CC=CCOCCC(=O)N 7a_100000757172_100000070051 [0,1,0,0,0,0|1,0,2]=4 1998 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [0,1,0,0,0,0|1,0,2]=4 1999 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [0,1,0,0,0,0|1,0,2]=4 2000 B9R0.2 CC=CCSCCC(=O)N 62a_100000070051_100000744528 [0,1,0,0,0,0|1,0,2]=4 2001 B9R0.2 CC=CCSCCC(=O)N 62a_100000744528_100000070051 [0,1,0,0,0,0|1,0,2]=4 2002 B9R0.2 CCC#CCNCC(=O)N 2230a_100000711301_100009813939 [0,1,0,0,0,0|1,0,2]=4 2003 B9R0.2 CCC#CCNCC(=O)O 269956a_100016091260_100009813939 [0,1,0,0,0,0|0,0,2]=3 2004 B9R0.2 CCC#CCOCC(=O)C 34a_100000211253_100009813939 [0,1,0,0,0,0|1,0,2]=4 2005 B9R0.2 CCC#CCOCC(=O)N 34a_100000032950_100000187820 [0,1,0,0,0,0|1,0,2]=4 2006 B9R0.2 CCC#CCOCC(=O)[O-] 34a_100000032950_100020667443 [0,1,0,0,0,0|0,0,3]=4 2007 B9R0.2 CCC#CCSCC(=O)N 62a_100000747473_100009813939 [0,1,0,0,0,0|1,0,2]=4 2008 B9R0.2 CCC#CCSCC(=O)N 62a_100009813939_100000747473 [0,1,0,0,0,0|1,0,2]=4 2009 B9R0.2 CCC#CCSCC(=O)[O-] 62a_100009813939_100020667443 [0,1,0,0,0,0|0,0,3]=4 2010 B9R0.2 CCC#CCSCC(=O)[O-] 62a_100020667443_100009813939 [0,1,0,0,0,0|0,0,3]=4 2011 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [0,1,0,0,0,0|1,0,1]=3 2012 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [0,1,0,0,0,0|1,0,1]=3 2013 B9R0.2 CCCCC=NNC(=O)C 4a_100000189765_100000210104 [0,1,0,0,0,0|2,0,1]=4 2014 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,1,0,0,0,0|1,0,1]=3 2015 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,1,0,0,0,0|1,0,1]=3 2016 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,1,0,0,0,0|1,0,1]=3 2017 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,1,0,0,0,0|1,0,1]=3 2018 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,1,0,0,0,0|1,0,0]=2 2019 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,1,0,0,0,0|1,0,0]=2 2020 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,1,0,0,0,0|1,0,0]=2 2021 B9R0.2 CCCCCCCN(C)C 2230a_100000228206_200000210301 [0,1,0,0,0,0|3,0,0]=4 2022 B9R0.2 CCCCCCCN(C)C 2230a_100102631434_100000210681 [0,1,0,0,0,0|3,0,0]=4 2023 B9R0.2 CCCCCCCN(C)C 269982a_100000228206_200000210301 [0,1,0,0,0,0|3,0,0]=4 2024 B9R0.2 CCCCCCCN(C)C 269982a_100102631434_100000210681 [0,1,0,0,0,0|3,0,0]=4 2025 B9R0.2 CCCCCCCN(C)[13CH3] 2230a_100000228206_200025704644 [0,1,0,0,0,0|3,0,0]=4 2026 B9R0.2 CCCCCCCN(C)[13CH3] 269982a_100000228206_200025704644 [0,1,0,0,0,0|3,0,0]=4 2027 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,1,0,0,0,0|1,0,0]=2 2028 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,1,0,0,0,0|1,0,0]=2 2029 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,1,0,0,0,0|1,0,0]=2 2030 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,1,0,0,0,0|1,0,0]=2 2031 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [0,1,0,0,0,0|2,0,1]=4 2032 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [0,1,0,0,0,0|2,0,1]=4 2033 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [0,1,0,0,0,0|2,0,1]=4 2034 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [0,1,0,0,0,0|2,0,1]=4 2035 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [0,1,0,0,0,0|2,0,1]=4 2036 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [0,1,0,0,0,0|2,0,1]=4 2037 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [0,1,0,0,0,0|2,0,1]=4 2038 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [0,1,0,0,0,0|2,0,1]=4 2039 B9R0.2 CCCCCNCC(=O)N 2230a_100000209983_100000747473 [0,1,0,0,0,0|1,0,0]=2 2040 B9R0.2 CCCCCNCC(=O)N 2230a_100000711301_100000210326 [0,1,0,0,0,0|1,0,0]=2 2041 B9R0.2 CCCCCNCC(=O)O 269956a_100016091260_100000210326 [0,1,0,0,0,0|0,0,0]=1 2042 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [0,1,0,0,0,0|2,0,1]=4 2043 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [0,1,0,0,0,0|2,0,1]=4 2044 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [0,1,0,0,0,0|2,0,1]=4 2045 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [0,1,0,0,0,0|2,0,1]=4 2046 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [0,1,0,0,0,0|1,0,1]=3 2047 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [0,1,0,0,0,0|1,0,1]=3 2048 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [0,1,0,0,0,0|1,0,1]=3 2049 B9R0.2 CCCCCNCC(F)F 2230a_100000209983_100011934356 [0,1,0,0,0,0|2,0,1]=4 2050 B9R0.2 CCCCCNCC(F)F 34a_100000765723_100000718602 [0,1,0,0,0,0|2,0,1]=4 2051 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [0,1,0,0,0,0|1,0,1]=3 2052 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,1,0,0,0,0|2,0,0]=3 2053 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,1,0,0,0,0|1,0,0]=2 2054 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,1,0,0,0,0|1,0,0]=2 2055 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,1,0,0,0,0|1,0,0]=2 2056 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,1,0,0,0,0|0,0,1]=2 2057 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [0,1,0,0,0,0|2,0,1]=4 2058 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [0,1,0,0,0,0|2,0,1]=4 2059 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [0,1,0,0,0,0|2,0,1]=4 2060 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [0,1,0,0,0,0|2,0,1]=4 2061 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [0,1,0,0,0,0|2,0,1]=4 2062 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [0,1,0,0,0,0|1,0,1]=3 2063 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [0,1,0,0,0,0|1,0,1]=3 2064 B9R0.2 CCCCCOCC(F)F 34a_100000210253_100011934356 [0,1,0,0,0,0|2,0,1]=4 2065 B9R0.2 CCCCCOCC(F)F 34a_100000743014_100000718602 [0,1,0,0,0,0|2,0,1]=4 2066 B9R0.2 CCCCCOCC(F)F 7a_100000210253_100011934356 [0,1,0,0,0,0|2,0,1]=4 2067 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [0,1,0,0,0,0|2,0,1]=4 2068 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [0,1,0,0,0,0|2,0,1]=4 2069 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [0,1,0,0,0,0|1,0,1]=3 2070 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [0,1,0,0,0,0|1,0,1]=3 2071 B9R0.2 CCCCCOC[N+](=O)[O-] 34a_100000210253_100000761209 [0,1,0,0,0,0|1,0,1]=3 2072 B9R0.2 CCCCCSCC(=O)N 62a_100000210326_100000747473 [0,1,0,0,0,0|1,0,0]=2 2073 B9R0.2 CCCCCSCC(=O)N 62a_100000747473_100000210326 [0,1,0,0,0,0|1,0,0]=2 2074 B9R0.2 CCCCCSCC(=O)[O-] 62a_100000210326_100020667443 [0,1,0,0,0,0|0,0,1]=2 2075 B9R0.2 CCCCCSCC(=O)[O-] 62a_100020667443_100000210326 [0,1,0,0,0,0|0,0,1]=2 2076 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [0,1,0,0,0,0|2,0,1]=4 2077 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [0,1,0,0,0,0|2,0,1]=4 2078 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [0,1,0,0,0,0|1,0,1]=3 2079 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [0,1,0,0,0,0|1,0,1]=3 2080 B9R0.2 CCCCCSCC(F)F 62a_100000210326_100011934356 [0,1,0,0,0,0|2,0,1]=4 2081 B9R0.2 CCCCCSCC(F)F 62a_100011934356_100000210326 [0,1,0,0,0,0|2,0,1]=4 2082 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [0,1,0,0,0,0|1,0,1]=3 2083 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [0,1,0,0,0,0|1,0,1]=3 2084 B9R0.2 CCCCCSC[N+](=O)[O-] 62a_100000210326_100000761209 [0,1,0,0,0,0|1,0,1]=3 2085 B9R0.2 CCCCNCC=C(C)C 2230a_100000102301_100000761012 [0,1,0,0,0,0|2,0,1]=4 2086 B9R0.2 CCCCNCC=C(C)C 34a_100000718196_100000210210 [0,1,0,0,0,0|2,0,1]=4 2087 B9R0.2 CCCCNCC=C(C)C 7a_106832991798_100000761012 [0,1,0,0,0,0|2,0,1]=4 2088 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,1,0,0,0,0|1,0,0]=2 2089 B9R0.2 CCCCNCCC(=O)N 2230a_100000102301_100000744528 [0,1,0,0,0,0|1,0,0]=2 2090 B9R0.2 CCCCNCCC(=O)N 7a_106832991798_100000744528 [0,1,0,0,0,0|1,0,0]=2 2091 B9R0.2 CCCCNCCC(C)C 2230a_100000102301_100000210312 [0,1,0,0,0,0|2,0,1]=4 2092 B9R0.2 CCCCNCCC(C)C 269862a_100000102301_100000185833 [0,1,0,0,0,0|2,0,1]=4 2093 B9R0.2 CCCCNCCC(C)C 7a_106832991798_100000210626 [0,1,0,0,0,0|2,0,1]=4 2094 B9R0.2 CCCCNCCC(C)O 2230a_100000102301_100012276601 [0,1,0,0,0,0|1,0,1]=3 2095 B9R0.2 CCCCNCCC(C)O 2230a_200000755665_100000210211 [0,1,0,0,0,0|1,0,1]=3 2096 B9R0.2 CCCCNCCC(C)O 7a_106832991798_100012276601 [0,1,0,0,0,0|1,0,1]=3 2097 B9R0.2 CCCCNCCN(C)C 7a_106832991798_100000755713 [0,1,0,0,0,0|3,0,0]=4 2098 B9R0.2 CCCCNOCC(=O)O 269956a_100000106656_100000210211 [0,1,0,0,0,0|1,0,0]=2 2099 B9R0.2 CCCCOCC=C(C)C 34a_100000210227_100000761012 [0,1,0,0,0,0|2,0,1]=4 2100 B9R0.2 CCCCOCC=C(C)C 34a_100000753907_100000210210 [0,1,0,0,0,0|2,0,1]=4 2101 B9R0.2 CCCCOCC=C(C)C 7a_100000210227_100000761012 [0,1,0,0,0,0|2,0,1]=4 2102 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,1,0,0,0,0|1,0,0]=2 2103 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,1,0,0,0,0|1,0,0]=2 2104 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,1,0,0,0,0|1,0,0]=2 2105 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,1,0,0,0,0|1,0,0]=2 2106 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [0,1,0,0,0,0|1,0,0]=2 2107 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [0,1,0,0,0,0|1,0,0]=2 2108 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [0,1,0,0,0,0|1,0,0]=2 2109 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [0,1,0,0,0,0|1,0,0]=2 2110 B9R0.2 CCCCOCCC(C)Br 34a_100009893172_100000210210 [0,1,0,0,0,0|2,0,1]=4 2111 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [0,1,0,0,0,0|2,0,1]=4 2112 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [0,1,0,0,0,0|2,0,1]=4 2113 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [0,1,0,0,0,0|2,0,1]=4 2114 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [0,1,0,0,0,0|2,0,1]=4 2115 B9R0.2 CCCCOCCC(C)O 34a_100000210227_100012276601 [0,1,0,0,0,0|1,0,1]=3 2116 B9R0.2 CCCCOCCC(C)O 7a_100000210227_100012276601 [0,1,0,0,0,0|1,0,1]=3 2117 B9R0.2 CCCCOCCC(F)F 34a_100103093639_100000210210 [0,1,0,0,0,0|2,0,1]=4 2118 B9R0.2 CCCCOCCN(C)C 2230a_100102631434_100000743108 [0,1,0,0,0,0|3,0,0]=4 2119 B9R0.2 CCCCOCCN(C)C 269982a_100102631434_100000743108 [0,1,0,0,0,0|3,0,0]=4 2120 B9R0.2 CCCCOCCN(C)C 7a_100000210227_100000755713 [0,1,0,0,0,0|3,0,0]=4 2121 B9R0.2 CCCCOCC[C@@H](C)N 34a_100000706166_100000210210 [0,1,0,0,0,0|2,0,1]=4 2122 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,1,0,0,0,0|2,0,0]=3 2123 B9R0.2 CCCCSCC=C(C)C 62a_100000210211_100000761012 [0,1,0,0,0,0|2,0,1]=4 2124 B9R0.2 CCCCSCC=C(C)C 62a_100000761012_100000210210 [0,1,0,0,0,0|2,0,1]=4 2125 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,1,0,0,0,0|1,0,0]=2 2126 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,1,0,0,0,0|1,0,0]=2 2127 B9R0.2 CCCCSCCC(=O)N 62a_100000210211_100000744528 [0,1,0,0,0,0|1,0,0]=2 2128 B9R0.2 CCCCSCCC(=O)N 62a_100000744528_100000210210 [0,1,0,0,0,0|1,0,0]=2 2129 B9R0.2 CCCCSCCC(C)C 62a_100000210211_100000210312 [0,1,0,0,0,0|2,0,1]=4 2130 B9R0.2 CCCCSCCC(C)C 62a_100000210312_100000210210 [0,1,0,0,0,0|2,0,1]=4 2131 B9R0.2 CCCCSCCC(C)O 62a_100000210211_100012276601 [0,1,0,0,0,0|1,0,1]=3 2132 B9R0.2 CCCCSCCC(C)O 62a_100012276601_100000210210 [0,1,0,0,0,0|1,0,1]=3 2133 B9R0.2 CCCCSCCN(C)C 62a_100000210211_100000755713 [0,1,0,0,0,0|3,0,0]=4 2134 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,1,0,0,0,0|2,0,0]=3 2135 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,1,0,0,0,0|2,0,0]=3 2136 B9R0.2 CCCNCCCC(=O)N 34a_100000739312_100000210303 [0,1,0,0,0,0|1,0,0]=2 2137 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [0,1,0,0,0,0|2,0,1]=4 2138 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [0,1,0,0,0,0|2,0,1]=4 2139 B9R0.2 CCCNCCCS(=O)C 2230a_200000753449_100000210303 [0,1,0,0,0,0|2,0,0]=3 2140 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,1,0,0,0,0|2,0,0]=3 2141 B9R0.2 CCCNCCNC(=O)N 34a_100020590234_100000210303 [0,1,0,0,0,0|2,0,0]=3 2142 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [0,1,0,0,0,0|2,0,1]=4 2143 B9R0.2 CCCOCCC=C(F)F 34a_100000210258_200009816681 [0,1,0,0,0,0|2,0,1]=4 2144 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,1,0,0,0,0|1,0,0]=2 2145 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,1,0,0,0,0|1,0,0]=2 2146 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,1,0,0,0,0|1,0,0]=2 2147 B9R0.2 CCCOCCCC(=O)N 34a_100000210258_100102525003 [0,1,0,0,0,0|1,0,0]=2 2148 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [0,1,0,0,0,0|2,0,1]=4 2149 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [0,1,0,0,0,0|2,0,1]=4 2150 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [0,1,0,0,0,0|2,0,1]=4 2151 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [0,1,0,0,0,0|1,0,1]=3 2152 B9R0.2 CCCOCCC[N+](=O)[O-] 34a_200000037920_100000210303 [0,1,0,0,0,0|1,0,1]=3 2153 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,1,0,0,0,0|2,0,0]=3 2154 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,1,0,0,0,0|2,0,0]=3 2155 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,1,0,0,0,0|2,0,0]=3 2156 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,1,0,0,0,0|2,0,0]=3 2157 B9R0.2 CCCOCCNC(=O)N 34a_100000181757_100000210303 [0,1,0,0,0,0|2,0,0]=3 2158 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,1,0,0,0,0|2,0,0]=3 2159 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,1,0,0,0,0|2,0,0]=3 2160 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,1,0,0,0,0|2,0,0]=3 2161 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [0,1,0,0,0,0|2,0,1]=4 2162 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [0,1,0,0,0,0|2,0,1]=4 2163 B9R0.2 CCCSCCC=C(F)F 62a_100000210303_200009816681 [0,1,0,0,0,0|2,0,1]=4 2164 B9R0.2 CCCSCCC=C(F)F 62a_200009816681_100000210303 [0,1,0,0,0,0|2,0,1]=4 2165 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,1,0,0,0,0|1,0,0]=2 2166 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,1,0,0,0,0|1,0,0]=2 2167 B9R0.2 CCCSCCCC(=O)N 62a_100000210303_100102525003 [0,1,0,0,0,0|1,0,0]=2 2168 B9R0.2 CCCSCCCC(=O)N 62a_100102525003_100000210303 [0,1,0,0,0,0|1,0,0]=2 2169 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [0,1,0,0,0,0|2,0,1]=4 2170 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [0,1,0,0,0,0|2,0,1]=4 2171 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [0,1,0,0,0,0|1,0,1]=3 2172 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [0,1,0,0,0,0|1,0,1]=3 2173 B9R0.2 CCCSCCCN(C)C 62a_100000210303_100000757444 [0,1,0,0,0,0|3,0,0]=4 2174 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,1,0,0,0,0|2,0,0]=3 2175 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,1,0,0,0,0|2,0,0]=3 2176 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,1,0,0,0,0|2,0,0]=3 2177 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,1,0,0,0,0|2,0,0]=3 2178 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,1,0,0,0,0|2,0,0]=3 2179 B9R0.2 CCCSCCNC(=O)N 62a_100000210303_200000034859 [0,1,0,0,0,0|2,0,0]=3 2180 B9R0.2 CCCSCCNC(=O)N 62a_200000034859_100000210303 [0,1,0,0,0,0|2,0,0]=3 2181 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,1,0,0,0,0|2,0,0]=3 2182 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,1,0,0,0,0|2,0,0]=3 2183 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,1,0,0,0,0|2,0,0]=3 2184 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,1,0,0,0,0|2,0,0]=3 2185 B9R0.2 CCNCCCCB(O)O 2230a_100015525214_200009817182 [0,1,0,0,0,0|1,0,1]=3 2186 B9R0.2 CCNCCCCC(=O)N 34a_100000696515_100000210202 [0,1,0,0,0,0|1,0,0]=2 2187 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [0,1,0,0,0,0|2,0,1]=4 2188 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,1,0,0,0,0|2,0,0]=3 2189 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [0,1,0,0,0,0|2,1,0]=4 2190 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,1,0,0,0,0|2,0,0]=3 2191 B9R0.2 CCNCCOCC(=O)N 2230a_100015525214_100000076697 [0,1,0,0,0,0|2,0,0]=3 2192 B9R0.2 CCNCCOCC(=O)O 269956a_100000700818_100000210202 [0,1,0,0,0,0|1,0,0]=2 2193 B9R0.2 CCOCCCCB(O)O 34a_100121572206_200009817182 [0,1,0,0,0,0|1,0,1]=3 2194 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,1,0,0,0,0|1,0,0]=2 2195 B9R0.2 CCOCCCCC(=O)N 34a_100012022536_100000210202 [0,1,0,0,0,0|1,0,0]=2 2196 B9R0.2 CCOCCCCC(=O)N 7a_100012022536_100000210202 [0,1,0,0,0,0|1,0,0]=2 2197 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [0,1,0,0,0,0|2,0,1]=4 2198 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [0,1,0,0,0,0|2,0,1]=4 2199 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [0,1,0,0,0,0|2,0,1]=4 2200 B9R0.2 CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210202 [0,1,0,0,0,0|1,0,1]=3 2201 B9R0.2 CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210202 [0,1,0,0,0,0|1,0,1]=3 2202 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,1,0,0,0,0|2,0,0]=3 2203 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,1,0,0,0,0|2,0,0]=3 2204 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,1,0,0,0,0|2,0,0]=3 2205 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,1,0,0,0,0|2,0,0]=3 2206 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,1,0,0,0,0|2,0,0]=3 2207 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,1,0,0,0,0|2,0,0]=3 2208 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [0,1,0,0,0,0|2,1,0]=4 2209 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,1,0,0,0,0|2,0,0]=3 2210 B9R0.2 CCOCCNCC(=O)N 2230a_100000711301_100011215890 [0,1,0,0,0,0|2,0,0]=3 2211 B9R0.2 CCOCCNCC(=O)N 2230a_102516460346_100000747473 [0,1,0,0,0,0|2,0,0]=3 2212 B9R0.2 CCOCCNCC(=O)N 34a_102516460346_100000187820 [0,1,0,0,0,0|2,0,0]=3 2213 B9R0.2 CCOCCNCC(=O)O 269956a_100016091260_100000210147 [0,1,0,0,0,0|1,0,0]=2 2214 B9R0.2 CCOCCNCC(=O)[O-] 34a_102516460346_100020667443 [0,1,0,0,0,0|1,0,1]=3 2215 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [0,1,0,0,0,0|2,0,1]=4 2216 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [0,1,0,0,0,0|2,0,1]=4 2217 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [0,1,0,0,0,0|2,0,1]=4 2218 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [0,1,0,0,0,0|2,0,1]=4 2219 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [0,1,0,0,0,0|2,0,1]=4 2220 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [0,1,0,0,0,0|2,0,1]=4 2221 B9R0.2 CCOCCNC[N+](=O)[O-] 34a_102516460346_100000761209 [0,1,0,0,0,0|2,0,1]=4 2222 B9R0.2 CCOCCNNC(=O)C 22a_100000732670_100000070787 [0,1,0,0,0,0|3,0,0]=4 2223 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,1,0,0,0,0|2,0,0]=3 2224 B9R0.2 CCOCCOCC(=O)N 34a_100000210136_100000187820 [0,1,0,0,0,0|2,0,0]=3 2225 B9R0.2 CCOCCOCC(=O)N 34a_100121572206_100000076697 [0,1,0,0,0,0|2,0,0]=3 2226 B9R0.2 CCOCCOCC(=O)N 7a_100000210136_100000187820 [0,1,0,0,0,0|2,0,0]=3 2227 B9R0.2 CCOCCOCC(=O)[O-] 34a_100000210136_100020667443 [0,1,0,0,0,0|1,0,1]=3 2228 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [0,1,0,0,0,0|2,0,1]=4 2229 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [0,1,0,0,0,0|2,0,1]=4 2230 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [0,1,0,0,0,0|2,0,1]=4 2231 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [0,1,0,0,0,0|2,0,1]=4 2232 B9R0.2 CCOCCOC[N+](=O)[O-] 34a_100000210136_100000761209 [0,1,0,0,0,0|2,0,1]=4 2233 B9R0.2 CCOCCSCC(=O)N 62a_100000210147_100000747473 [0,1,0,0,0,0|2,0,0]=3 2234 B9R0.2 CCOCCSCC(=O)N 62a_100000747473_100011215890 [0,1,0,0,0,0|2,0,0]=3 2235 B9R0.2 CCOCCSCC(=O)[O-] 62a_100000210147_100020667443 [0,1,0,0,0,0|1,0,1]=3 2236 B9R0.2 CCOCCSCC(=O)[O-] 62a_100020667443_100011215890 [0,1,0,0,0,0|1,0,1]=3 2237 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [0,1,0,0,0,0|2,0,1]=4 2238 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [0,1,0,0,0,0|2,0,1]=4 2239 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [0,1,0,0,0,0|2,0,1]=4 2240 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [0,1,0,0,0,0|2,0,1]=4 2241 B9R0.2 CCOCCSC[N+](=O)[O-] 62a_100000210147_100000761209 [0,1,0,0,0,0|2,0,1]=4 2242 B9R0.2 CCOCNOCC(=O)O 269956a_100000106656_100000739092 [0,1,0,0,0,0|2,0,0]=3 2243 B9R0.2 CCOCSCCC(=O)C 62a_100000053229_100000739092 [0,1,0,0,0,0|2,0,0]=3 2244 B9R0.2 CCOCSCCC(=O)C 62a_100000739092_100000053229 [0,1,0,0,0,0|2,0,0]=3 2245 B9R0.2 CCOCSCCC(=O)N 62a_100000739092_100000744528 [0,1,0,0,0,0|2,0,0]=3 2246 B9R0.2 CCOCSCCC(=O)N 62a_100000744528_100000739092 [0,1,0,0,0,0|2,0,0]=3 2247 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [0,1,0,0,0,0|2,0,1]=4 2248 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [0,1,0,0,0,0|2,0,1]=4 2249 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [0,1,0,0,0,0|3,0,0]=4 2250 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [0,1,0,0,0,0|3,0,0]=4 2251 B9R0.2 CCSCCCCB(O)O 62a_100000210202_200009817182 [0,1,0,0,0,0|1,0,1]=3 2252 B9R0.2 CCSCCCCB(O)O 62a_200009817182_100000210202 [0,1,0,0,0,0|1,0,1]=3 2253 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,1,0,0,0,0|1,0,0]=2 2254 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,1,0,0,0,0|1,0,0]=2 2255 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [0,1,0,0,0,0|2,0,1]=4 2256 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [0,1,0,0,0,0|2,0,1]=4 2257 B9R0.2 CCSCCCCN(C)C 62a_100000210202_100000690147 [0,1,0,0,0,0|3,0,0]=4 2258 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,1,0,0,0,0|2,0,0]=3 2259 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,1,0,0,0,0|2,0,0]=3 2260 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,1,0,0,0,0|2,1,0]=4 2261 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,1,0,0,0,0|2,1,0]=4 2262 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,1,0,0,0,0|2,0,0]=3 2263 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,1,0,0,0,0|2,0,0]=3 2264 B9R0.2 CCSCCNCC(=O)N 2230a_100000106463_100000747473 [0,1,0,0,0,0|2,0,0]=3 2265 B9R0.2 CCSCCNCC(=O)N 2230a_100000711301_100000757381 [0,1,0,0,0,0|2,0,0]=3 2266 B9R0.2 CCSCCNCC(=O)O 269956a_100016091260_100000757381 [0,1,0,0,0,0|1,0,0]=2 2267 B9R0.2 CCSCCNCC(C)O 2230a_100000106463_100011218427 [0,1,0,0,0,0|2,0,1]=4 2268 B9R0.2 CCSCCNCC(C)O 2230a_100000210904_100000757381 [0,1,0,0,0,0|2,0,1]=4 2269 B9R0.2 CCSCCNCC(C)O 34a_100000210904_100000757381 [0,1,0,0,0,0|2,0,1]=4 2270 B9R0.2 CCSCCNC[C@@H](C)O 2230a_100000106463_100009817552 [0,1,0,0,0,0|2,0,1]=4 2271 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,1,0,0,0,0|2,0,0]=3 2272 B9R0.2 CCSCCOCC(=O)N 34a_100000212035_100000187820 [0,1,0,0,0,0|2,0,0]=3 2273 B9R0.2 CCSCCOCC(=O)N 62a_100000076697_100000210202 [0,1,0,0,0,0|2,0,0]=3 2274 B9R0.2 CCSCCOCC(=O)N 62a_100000210202_100000076697 [0,1,0,0,0,0|2,0,0]=3 2275 B9R0.2 CCSCCOCC(=O)N 7a_100000212035_100000187820 [0,1,0,0,0,0|2,0,0]=3 2276 B9R0.2 CCSCCOCC(=O)[O-] 34a_100000212035_100020667443 [0,1,0,0,0,0|1,0,1]=3 2277 B9R0.2 CCSCCOCC(C)O 34a_100000212035_100011218427 [0,1,0,0,0,0|2,0,1]=4 2278 B9R0.2 CCSCCOCC(C)O 7a_100000212035_100011218427 [0,1,0,0,0,0|2,0,1]=4 2279 B9R0.2 CCSCCOC[C@@H](C)O 34a_100000212035_100009817552 [0,1,0,0,0,0|2,0,1]=4 2280 B9R0.2 CCSCCOC[C@@H](C)O 7a_100000212035_100009817552 [0,1,0,0,0,0|2,0,1]=4 2281 B9R0.2 CCSCCOC[N+](=O)[O-] 34a_100000212035_100000761209 [0,1,0,0,0,0|2,0,1]=4 2282 B9R0.2 CCSCCSCC(=O)N 62a_100000747473_100000757381 [0,1,0,0,0,0|2,0,0]=3 2283 B9R0.2 CCSCCSCC(=O)N 62a_100000757381_100000747473 [0,1,0,0,0,0|2,0,0]=3 2284 B9R0.2 CCSCCSCC(=O)[O-] 62a_100000757381_100020667443 [0,1,0,0,0,0|1,0,1]=3 2285 B9R0.2 CCSCCSCC(=O)[O-] 62a_100020667443_100000757381 [0,1,0,0,0,0|1,0,1]=3 2286 B9R0.2 CCSCCSCC(C)O 62a_100000757381_100011218427 [0,1,0,0,0,0|2,0,1]=4 2287 B9R0.2 CCSCCSCC(C)O 62a_100011218427_100000757381 [0,1,0,0,0,0|2,0,1]=4 2288 B9R0.2 CCSCCSC[C@@H](C)O 62a_100000757381_100009817552 [0,1,0,0,0,0|2,0,1]=4 2289 B9R0.2 CCSCCSC[C@@H](C)O 62a_100009817552_100000757381 [0,1,0,0,0,0|2,0,1]=4 2290 B9R0.2 CCSCCSC[N+](=O)[O-] 62a_100000757381_100000761209 [0,1,0,0,0,0|2,0,1]=4 2291 B9R0.2 CN(C)CCCCCCF 2230a_100102631434_100015922095 [0,1,0,0,0,0|3,0,0]=4 2292 B9R0.2 CN(C)CCCCCCF 269982a_100102631434_100015922095 [0,1,0,0,0,0|3,0,0]=4 2293 B9R0.2 CN(C)CCCCCCO 2230a_100102631434_100000766143 [0,1,0,0,0,0|3,0,0]=4 2294 B9R0.2 CN(C)CCCCCCO 269982a_100102631434_100000766143 [0,1,0,0,0,0|3,0,0]=4 2295 B9R0.2 CNCCCCCB(O)O 2230a_106832991635_200009817188 [0,1,0,0,0,0|1,0,1]=3 2296 B9R0.2 CNCCCCCB(O)O 34a_100102657272_200009817188 [0,1,0,0,0,0|1,0,1]=3 2297 B9R0.2 CNCCCCCB(O)O 7a_106832991635_200009817188 [0,1,0,0,0,0|1,0,1]=3 2298 B9R0.2 CNCCCCCC(=O)N 2230a_106832991635_100009817443 [0,1,0,0,0,0|1,0,0]=2 2299 B9R0.2 CNCCCCCC(=O)N 34a_100102657272_100009817443 [0,1,0,0,0,0|1,0,0]=2 2300 B9R0.2 CNCCCCCC(=O)N 7a_106832991635_100009817443 [0,1,0,0,0,0|1,0,0]=2 2301 B9R0.2 CNCCCCCC(C)C 2230a_100011290863_200000210301 [0,1,0,0,0,0|2,0,1]=4 2302 B9R0.2 CNCCCCCC(C)C 2230a_106832991635_100000210682 [0,1,0,0,0,0|2,0,1]=4 2303 B9R0.2 CNCCCCCC(C)C 34a_100011290863_200000210301 [0,1,0,0,0,0|2,0,1]=4 2304 B9R0.2 CNCCCCCC(C)C 34a_100102657272_100000210682 [0,1,0,0,0,0|2,0,1]=4 2305 B9R0.2 CNCCCCCC(C)C 7a_106832991635_100000210682 [0,1,0,0,0,0|2,0,1]=4 2306 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,1,0,0,0,0|2,0,0]=3 2307 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,1,0,0,0,0|2,0,0]=3 2308 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,1,0,0,0,0|2,0,0]=3 2309 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,1,0,0,0,0|2,0,0]=3 2310 B9R0.2 CNCCCCO[N+](=O)[O-] 34a_100102657272_100015694321 [0,1,0,0,0,0|2,0,1]=4 2311 B9R0.2 CNCCCCO[N+](=O)[O-] 7a_106832991635_100015694321 [0,1,0,0,0,0|2,0,1]=4 2312 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,1,0,0,0,0|2,0,0]=3 2313 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,1,0,0,0,0|2,0,0]=3 2314 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,1,0,0,0,0|2,0,0]=3 2315 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,1,0,0,0,0|2,0,0]=3 2316 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,1,0,0,0,0|1,0,1]=3 2317 B9R0.2 CNCCCOCC(C)O 34a_100000213112_100011218427 [0,1,0,0,0,0|2,0,1]=4 2318 B9R0.2 CNCCCOC[C@@H](C)O 34a_100000213112_100009817552 [0,1,0,0,0,0|2,0,1]=4 2319 B9R0.2 CNCCCOC[N+](=O)[O-] 34a_100000213112_100000761209 [0,1,0,0,0,0|2,0,1]=4 2320 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,1,0,0,0,0|3,0,0]=4 2321 B9R0.2 COCCCCCB(O)O 34a_100138415774_200009817188 [0,1,0,0,0,0|1,0,1]=3 2322 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,1,0,0,0,0|1,0,0]=2 2323 B9R0.2 COCCCCCC(=O)N 34a_100000123541_200000210301 [0,1,0,0,0,0|1,0,0]=2 2324 B9R0.2 COCCCCCC(=O)N 34a_100138415774_100009817443 [0,1,0,0,0,0|1,0,0]=2 2325 B9R0.2 COCCCCCC(=O)N 7a_100000123541_200000210301 [0,1,0,0,0,0|1,0,0]=2 2326 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,1,0,0,0,0|1,0,0]=2 2327 B9R0.2 COCCCCCC(=O)[O-] 7a_100102619762_200000210301 [0,1,0,0,0,0|0,0,1]=2 2328 B9R0.2 COCCCCCC(C)C 34a_100011995859_200000210301 [0,1,0,0,0,0|2,0,1]=4 2329 B9R0.2 COCCCCCC(C)C 34a_100138415774_100000210682 [0,1,0,0,0,0|2,0,1]=4 2330 B9R0.2 COCCCCCC(C)C 7a_100011995859_200000210301 [0,1,0,0,0,0|2,0,1]=4 2331 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,1,0,0,0,0|2,0,0]=3 2332 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,1,0,0,0,0|2,0,0]=3 2333 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,1,0,0,0,0|2,0,0]=3 2334 B9R0.2 COCCCCO[N+](=O)[O-] 34a_100138415774_100015694321 [0,1,0,0,0,0|2,0,1]=4 2335 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,1,0,0,0,0|2,0,0]=3 2336 B9R0.2 COCCCNCC(=O)N 2230a_100000711301_100000740836 [0,1,0,0,0,0|2,0,0]=3 2337 B9R0.2 COCCCNCC(=O)N 34a_100150723488_100000187820 [0,1,0,0,0,0|2,0,0]=3 2338 B9R0.2 COCCCNCC(=O)O 269956a_100016091260_100000740836 [0,1,0,0,0,0|1,0,0]=2 2339 B9R0.2 COCCCNCC(=O)[O-] 34a_100150723488_100020667443 [0,1,0,0,0,0|1,0,1]=3 2340 B9R0.2 COCCCNCC(C)O 2230a_100000210904_100000740836 [0,1,0,0,0,0|2,0,1]=4 2341 B9R0.2 COCCCNCC(C)O 34a_100000210904_100000740836 [0,1,0,0,0,0|2,0,1]=4 2342 B9R0.2 COCCCNCC(C)O 34a_100150723488_100011218427 [0,1,0,0,0,0|2,0,1]=4 2343 B9R0.2 COCCCNC[C@@H](C)O 34a_100150723488_100009817552 [0,1,0,0,0,0|2,0,1]=4 2344 B9R0.2 COCCCNC[N+](=O)[O-] 34a_100150723488_100000761209 [0,1,0,0,0,0|2,0,1]=4 2345 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [0,1,0,0,0,0|3,0,0]=4 2346 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,1,0,0,0,0|2,0,0]=3 2347 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,1,0,0,0,0|2,0,0]=3 2348 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,1,0,0,0,0|1,0,1]=3 2349 B9R0.2 COCCCOCC(C)O 34a_100000740835_100011218427 [0,1,0,0,0,0|2,0,1]=4 2350 B9R0.2 COCCCOC[C@@H](C)O 34a_100000740835_100009817552 [0,1,0,0,0,0|2,0,1]=4 2351 B9R0.2 COCCCOC[N+](=O)[O-] 34a_100000740835_100000761209 [0,1,0,0,0,0|2,0,1]=4 2352 B9R0.2 COCCCSCC(=O)N 62a_100000709357_100000747473 [0,1,0,0,0,0|2,0,0]=3 2353 B9R0.2 COCCCSCC(=O)N 62a_100000747473_100000709357 [0,1,0,0,0,0|2,0,0]=3 2354 B9R0.2 COCCCSCC(=O)[O-] 62a_100000709357_100020667443 [0,1,0,0,0,0|1,0,1]=3 2355 B9R0.2 COCCCSCC(=O)[O-] 62a_100020667443_100000709357 [0,1,0,0,0,0|1,0,1]=3 2356 B9R0.2 COCCCSCC(C)O 62a_100000709357_100011218427 [0,1,0,0,0,0|2,0,1]=4 2357 B9R0.2 COCCCSCC(C)O 62a_100011218427_100000709357 [0,1,0,0,0,0|2,0,1]=4 2358 B9R0.2 COCCCSC[C@@H](C)O 62a_100000709357_100009817552 [0,1,0,0,0,0|2,0,1]=4 2359 B9R0.2 COCCCSC[C@@H](C)O 62a_100009817552_100000709357 [0,1,0,0,0,0|2,0,1]=4 2360 B9R0.2 COCCCSC[N+](=O)[O-] 62a_100000709357_100000761209 [0,1,0,0,0,0|2,0,1]=4 2361 B9R0.2 COCCNCCC(=O)N 2230a_100000209980_100000744528 [0,1,0,0,0,0|2,0,0]=3 2362 B9R0.2 COCCNCCC(C)O 2230a_100000209980_100012276601 [0,1,0,0,0,0|2,0,1]=4 2363 B9R0.2 COCCNCCC(C)O 2230a_200000755665_100011201679 [0,1,0,0,0,0|2,0,1]=4 2364 B9R0.2 COCCNOCC(=O)O 269956a_100000106656_100000233755 [0,1,0,0,0,0|2,0,0]=3 2365 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,1,0,0,0,0|2,0,0]=3 2366 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,1,0,0,0,0|2,0,0]=3 2367 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,1,0,0,0,0|2,0,0]=3 2368 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,1,0,0,0,0|2,0,0]=3 2369 B9R0.2 COCCOCCC(=O)N 34a_100000210237_100000731001 [0,1,0,0,0,0|2,0,0]=3 2370 B9R0.2 COCCOCCC(=O)N 34a_100000757172_100011201679 [0,1,0,0,0,0|2,0,0]=3 2371 B9R0.2 COCCOCCC(=O)N 7a_100000757172_100000233755 [0,1,0,0,0,0|2,0,0]=3 2372 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,1,0,0,0,0|2,0,0]=3 2373 B9R0.2 COCCOCCC(C)O 34a_100000210237_100012276601 [0,1,0,0,0,0|2,0,1]=4 2374 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,1,0,0,0,0|3,0,0]=4 2375 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,1,0,0,0,0|2,0,0]=3 2376 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,1,0,0,0,0|2,0,0]=3 2377 B9R0.2 COCCSCCC(=O)N 62a_100000233755_100000744528 [0,1,0,0,0,0|2,0,0]=3 2378 B9R0.2 COCCSCCC(=O)N 62a_100000744528_100000233755 [0,1,0,0,0,0|2,0,0]=3 2379 B9R0.2 COCCSCCC(C)O 62a_100000233755_100012276601 [0,1,0,0,0,0|2,0,1]=4 2380 B9R0.2 COCCSCCC(C)O 62a_100012276601_100000233755 [0,1,0,0,0,0|2,0,1]=4 2381 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,1,0,0,0,0|3,0,0]=4 2382 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,1,0,0,0,0|3,0,0]=4 2383 B9R0.2 COCNCCCS(=O)C 2230a_200000753449_100000766300 [0,1,0,0,0,0|3,0,0]=4 2384 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [0,1,0,0,0,0|3,0,0]=4 2385 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [0,1,0,0,0,0|3,0,0]=4 2386 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,1,0,0,0,0|2,0,0]=3 2387 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,1,0,0,0,0|2,0,0]=3 2388 B9R0.2 COCSCCCC(=O)N 62a_100000766300_100102525003 [0,1,0,0,0,0|2,0,0]=3 2389 B9R0.2 COCSCCCC(=O)N 62a_100102525003_100000766300 [0,1,0,0,0,0|2,0,0]=3 2390 B9R0.2 COCSCCCC(C)O 62a_100000766300_200000718107 [0,1,0,0,0,0|2,0,1]=4 2391 B9R0.2 COCSCCCC(C)O 62a_200000718107_100000766300 [0,1,0,0,0,0|2,0,1]=4 2392 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [0,1,0,0,0,0|3,0,0]=4 2393 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [0,1,0,0,0,0|3,0,0]=4 2394 B9R0.2 COCSCCNC(=O)N 62a_100000766300_200000034859 [0,1,0,0,0,0|3,0,0]=4 2395 B9R0.2 COCSCCNC(=O)N 62a_200000034859_100000766300 [0,1,0,0,0,0|3,0,0]=4 2396 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [0,1,0,0,0,0|3,0,0]=4 2397 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [0,1,0,0,0,0|3,0,0]=4 2398 B9R0.2 COCSCCOC(=O)N 62a_100000766300_200011214921 [0,1,0,0,0,0|3,0,0]=4 2399 B9R0.2 COCSCCOC(=O)N 62a_200011214921_100000766300 [0,1,0,0,0,0|3,0,0]=4 2400 B9R0.2 CS(=O)CCCNCCF 2230a_200000753449_100011217306 [0,1,0,0,0,0|3,0,0]=4 2401 B9R0.2 CS(=O)CCCNCCO 2230a_200000753449_100000211926 [0,1,0,0,0,0|3,0,0]=4 2402 B9R0.2 CSCCCCCB(O)O 62a_200000210301_200009817188 [0,1,0,0,0,0|1,0,1]=3 2403 B9R0.2 CSCCCCCB(O)O 62a_200009817188_200000210301 [0,1,0,0,0,0|1,0,1]=3 2404 B9R0.2 CSCCCCCC(=O)N 62a_100009817443_200000210301 [0,1,0,0,0,0|1,0,0]=2 2405 B9R0.2 CSCCCCCC(=O)N 62a_200000210301_100009817443 [0,1,0,0,0,0|1,0,0]=2 2406 B9R0.2 CSCCCCCC(C)C 62a_100000210682_200000210301 [0,1,0,0,0,0|2,0,1]=4 2407 B9R0.2 CSCCCCCC(C)C 62a_200000210301_100000210682 [0,1,0,0,0,0|2,0,1]=4 2408 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,1,0,0,0,0|2,0,0]=3 2409 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,1,0,0,0,0|2,0,0]=3 2410 B9R0.2 CSCCCCO[N+](=O)[O-] 62a_200000210301_100015694321 [0,1,0,0,0,0|2,0,1]=4 2411 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,1,0,0,0,0|2,0,0]=3 2412 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,1,0,0,0,0|2,0,0]=3 2413 B9R0.2 CSCCCNCC(=O)N 2230a_100000749238_100000747473 [0,1,0,0,0,0|2,0,0]=3 2414 B9R0.2 CSCCCNCC(C)O 2230a_100000749238_100011218427 [0,1,0,0,0,0|2,0,1]=4 2415 B9R0.2 CSCCCNC[C@@H](C)O 2230a_100000749238_100009817552 [0,1,0,0,0,0|2,0,1]=4 2416 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,1,0,0,0,0|2,0,0]=3 2417 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,1,0,0,0,0|2,0,0]=3 2418 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,1,0,0,0,0|1,0,1]=3 2419 B9R0.2 CSCCCOCC(C)O 34a_100000690336_100011218427 [0,1,0,0,0,0|2,0,1]=4 2420 B9R0.2 CSCCCOCC(C)O 7a_100000690336_100011218427 [0,1,0,0,0,0|2,0,1]=4 2421 B9R0.2 CSCCCOC[C@@H](C)O 34a_100000690336_100009817552 [0,1,0,0,0,0|2,0,1]=4 2422 B9R0.2 CSCCCOC[C@@H](C)O 7a_100000690336_100009817552 [0,1,0,0,0,0|2,0,1]=4 2423 B9R0.2 CSCCCOC[N+](=O)[O-] 34a_100000690336_100000761209 [0,1,0,0,0,0|2,0,1]=4 2424 B9R0.2 CSCCNCCC(=O)N 2230a_100020590264_100000744528 [0,1,0,0,0,0|2,0,0]=3 2425 B9R0.2 CSCCNCCC(C)O 2230a_100020590264_100012276601 [0,1,0,0,0,0|2,0,1]=4 2426 B9R0.2 CSCCNCCC(C)O 2230a_200000755665_100000751147 [0,1,0,0,0,0|2,0,1]=4 2427 B9R0.2 CSCCNOCC(=O)O 269956a_100000106656_100000212216 [0,1,0,0,0,0|2,0,0]=3 2428 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,1,0,0,0,0|2,0,0]=3 2429 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,1,0,0,0,0|2,0,0]=3 2430 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,1,0,0,0,0|2,0,0]=3 2431 B9R0.2 CSCCOCCC(=O)N 34a_100000230434_100000731001 [0,1,0,0,0,0|2,0,0]=3 2432 B9R0.2 CSCCOCCC(=O)N 34a_100000757172_100000212216 [0,1,0,0,0,0|2,0,0]=3 2433 B9R0.2 CSCCOCCC(=O)N 7a_100000230434_100000744528 [0,1,0,0,0,0|2,0,0]=3 2434 B9R0.2 CSCCOCCC(=O)N 7a_100000757172_100000212216 [0,1,0,0,0,0|2,0,0]=3 2435 B9R0.2 CSCCOCCC(C)O 34a_100000230434_100012276601 [0,1,0,0,0,0|2,0,1]=4 2436 B9R0.2 CSCCOCCC(C)O 7a_100000230434_100012276601 [0,1,0,0,0,0|2,0,1]=4 2437 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [0,1,0,0,0,0|3,0,0]=4 2438 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,1,0,0,0,0|2,0,0]=3 2439 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,1,0,0,0,0|2,0,0]=3 2440 B9R0.2 CSCCSCCC(=O)N 62a_100000212216_100000744528 [0,1,0,0,0,0|2,0,0]=3 2441 B9R0.2 CSCCSCCC(=O)N 62a_100000744528_100000751147 [0,1,0,0,0,0|2,0,0]=3 2442 B9R0.2 CSCCSCCC(C)O 62a_100000212216_100012276601 [0,1,0,0,0,0|2,0,1]=4 2443 B9R0.2 CSCCSCCC(C)O 62a_100012276601_100000751147 [0,1,0,0,0,0|2,0,1]=4 2444 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [0,1,0,0,0,0|3,0,0]=4 2445 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [0,1,0,0,0,0|3,0,0]=4 2446 B9R0.2 CSCNCCCC(=O)N 34a_100000739312_100011218213 [0,1,0,0,0,0|2,0,0]=3 2447 B9R0.2 CSCNCCCS(=O)C 2230a_200000753449_100011218213 [0,1,0,0,0,0|3,0,0]=4 2448 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [0,1,0,0,0,0|3,0,0]=4 2449 B9R0.2 CSCNCCNC(=O)N 34a_100020590234_100011218213 [0,1,0,0,0,0|3,0,0]=4 2450 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,1,0,0,0,0|2,0,0]=3 2451 B9R0.2 CSCOCCC[N+](=O)[O-] 34a_200000037920_100011218213 [0,1,0,0,0,0|2,0,1]=4 2452 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [0,1,0,0,0,0|3,0,0]=4 2453 B9R0.2 CSCOCCNC(=O)N 34a_100000181757_100011218213 [0,1,0,0,0,0|3,0,0]=4 2454 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [0,1,0,0,0,0|3,0,0]=4 2455 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [0,1,0,0,0,0|3,0,0]=4 2456 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,1,0,0,0,0|2,0,0]=3 2457 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,1,0,0,0,0|2,0,0]=3 2458 B9R0.2 CSCSCCCC(=O)N 62a_100011218213_100102525003 [0,1,0,0,0,0|2,0,0]=3 2459 B9R0.2 CSCSCCCC(=O)N 62a_100102525003_100011218213 [0,1,0,0,0,0|2,0,0]=3 2460 B9R0.2 CSCSCCCC(C)O 62a_100011218213_200000718107 [0,1,0,0,0,0|2,0,1]=4 2461 B9R0.2 CSCSCCCC(C)O 62a_200000718107_100011218213 [0,1,0,0,0,0|2,0,1]=4 2462 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [0,1,0,0,0,0|3,0,0]=4 2463 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [0,1,0,0,0,0|3,0,0]=4 2464 B9R0.2 CSCSCCNC(=O)N 62a_100011218213_200000034859 [0,1,0,0,0,0|3,0,0]=4 2465 B9R0.2 CSCSCCNC(=O)N 62a_200000034859_100011218213 [0,1,0,0,0,0|3,0,0]=4 2466 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [0,1,0,0,0,0|3,0,0]=4 2467 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [0,1,0,0,0,0|3,0,0]=4 2468 B9R0.2 CSCSCCOC(=O)N 62a_100011218213_200011214921 [0,1,0,0,0,0|3,0,0]=4 2469 B9R0.2 CSCSCCOC(=O)N 62a_200011214921_100011218213 [0,1,0,0,0,0|3,0,0]=4 2470 B9R0.2 C[C@@H](O)CNCCCCO 2230a_100000750430_100009817552 [0,1,0,0,0,0|2,0,1]=4 2471 B9R0.2 C[C@@H](O)CNCCCCO 34a_100000750430_100009817552 [0,1,0,0,0,0|2,0,1]=4 2472 B9R0.2 C[C@@H](O)COCCCCBr 34a_100011216708_100009817552 [0,1,0,0,0,0|2,0,1]=4 2473 B9R0.2 C[C@@H](O)COCCCCCl 34a_100000210776_100009817552 [0,1,0,0,0,0|2,0,1]=4 2474 B9R0.2 C[C@@H](O)COCCCCCl 7a_100000210776_100009817552 [0,1,0,0,0,0|2,0,1]=4 2475 B9R0.2 C[C@@H](O)COCCCCF 34a_100011995726_100009817552 [0,1,0,0,0,0|2,0,1]=4 2476 B9R0.2 C[C@@H](O)COCCCCF 7a_100011995726_100009817552 [0,1,0,0,0,0|2,0,1]=4 2477 B9R0.2 C[C@@H](O)COCCCCI 34a_200012148704_100009817552 [0,1,0,0,0,0|2,0,1]=4 2478 B9R0.2 C[C@@H](O)COCCCCN 34a_100000750430_100009817552 [0,1,0,0,0,0|2,0,1]=4 2479 B9R0.2 C[C@@H](O)CSCCCCF 62a_100000729493_100009817552 [0,1,0,0,0,0|2,0,1]=4 2480 B9R0.2 C[C@@H](O)CSCCCCF 62a_100009817552_100000729493 [0,1,0,0,0,0|2,0,1]=4 2481 B9R0.2 C[C@@H](O)CSCCCCO 62a_100000210776_100009817552 [0,1,0,0,0,0|2,0,1]=4 2482 B9R0.2 C[C@@H](O)CSCCCCO 62a_100009817552_100000210776 [0,1,0,0,0,0|2,0,1]=4 2483 B9R0.2 N#CCCCNCC(=O)N 2230a_100000711301_100000687738 [0,1,0,0,0,0|2,0,1]=4 2484 B9R0.2 N#CCCCNCC(=O)O 269956a_100016091260_100000687738 [0,1,0,0,0,0|1,0,1]=3 2485 B9R0.2 N#CCCCSCC(=O)N 62a_100000687738_100000747473 [0,1,0,0,0,0|2,0,1]=4 2486 B9R0.2 N#CCCCSCC(=O)N 62a_100000747473_100000687738 [0,1,0,0,0,0|2,0,1]=4 2487 B9R0.2 N#CCCCSCC(=O)[O-] 62a_100000687738_100020667443 [0,1,0,0,0,0|1,0,2]=4 2488 B9R0.2 N#CCCCSCC(=O)[O-] 62a_100020667443_100000687738 [0,1,0,0,0,0|1,0,2]=4 2489 B9R0.2 N#CCCNOCC(=O)O 269956a_100000106656_100011215226 [0,1,0,0,0,0|2,0,1]=4 2490 B9R0.2 N#CCCOCCC(=O)N 7a_100000757172_100000184422 [0,1,0,0,0,0|2,0,1]=4 2491 B9R0.2 N#CCCSCCC(=O)N 62a_100000744528_100011215226 [0,1,0,0,0,0|2,0,1]=4 2492 B9R0.2 N#CCCSCCC(=O)N 62a_100011215226_100000744528 [0,1,0,0,0,0|2,0,1]=4 2493 B9R0.2 N#CCSCCCC(=O)N 62a_100011215382_100102525003 [0,1,0,0,0,0|2,0,1]=4 2494 B9R0.2 N#CCSCCCC(=O)N 62a_100102525003_100011215382 [0,1,0,0,0,0|2,0,1]=4 2495 B9R0.2 N#CSCCNCC(=O)O 269956a_100016091260_100000034367 [0,1,0,0,0,0|2,0,1]=4 2496 B9R0.2 NC(=O)CCCCNCF 34a_100000696515_100015361967 [0,1,0,0,0,0|2,0,0]=3 2497 B9R0.2 NC(=O)CCCCOCF 34a_100012022536_100015361967 [0,1,0,0,0,0|2,0,0]=3 2498 B9R0.2 NC(=O)CCCCOCF 7a_100012022536_100015361967 [0,1,0,0,0,0|2,0,0]=3 2499 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [0,1,0,0,0,0|2,0,1]=4 2500 B9R0.2 NC(=O)CCCNCCF 34a_100000724931_100102525003 [0,1,0,0,0,0|2,0,0]=3 2501 B9R0.2 NC(=O)CCCNCCF 34a_100000739312_100011217306 [0,1,0,0,0,0|2,0,0]=3 2502 B9R0.2 NC(=O)CCCNCCO 34a_100000739312_100000211926 [0,1,0,0,0,0|2,0,0]=3 2503 B9R0.2 NC(=O)CCCNCCO 34a_100016990907_100102525003 [0,1,0,0,0,0|2,0,0]=3 2504 B9R0.2 NC(=O)CCCOCCBr 34a_100000211926_100102525003 [0,1,0,0,0,0|2,0,0]=3 2505 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [0,1,0,0,0,0|2,0,1]=4 2506 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [0,1,0,0,0,0|2,0,1]=4 2507 B9R0.2 NC(=O)CCCSCCF 62a_100011217306_100102525003 [0,1,0,0,0,0|2,0,0]=3 2508 B9R0.2 NC(=O)CCCSCCF 62a_100102525003_100011217306 [0,1,0,0,0,0|2,0,0]=3 2509 B9R0.2 NC(=O)CCCSCCO 62a_100000211926_100102525003 [0,1,0,0,0,0|2,0,0]=3 2510 B9R0.2 NC(=O)CCCSCCO 62a_100102525003_100000211926 [0,1,0,0,0,0|2,0,0]=3 2511 B9R0.2 NC(=O)CCNCCCF 2230a_100015189416_100000744528 [0,1,0,0,0,0|2,0,0]=3 2512 B9R0.2 NC(=O)CCNCCCF 34a_100015189416_100000731001 [0,1,0,0,0,0|2,0,0]=3 2513 B9R0.2 NC(=O)CCOCCCBr 34a_100011217188_100000731001 [0,1,0,0,0,0|2,0,0]=3 2514 B9R0.2 NC(=O)CCOCCCCl 34a_100000230001_100000731001 [0,1,0,0,0,0|2,0,0]=3 2515 B9R0.2 NC(=O)CCOCCCF 34a_100000757172_100011934791 [0,1,0,0,0,0|2,0,0]=3 2516 B9R0.2 NC(=O)CCOCCCF 34a_100000759539_100000731001 [0,1,0,0,0,0|2,0,0]=3 2517 B9R0.2 NC(=O)CCOCCCF 7a_100000757172_100011934791 [0,1,0,0,0,0|2,0,0]=3 2518 B9R0.2 NC(=O)CCOCCCO 34a_100000757172_100000230001 [0,1,0,0,0,0|2,0,0]=3 2519 B9R0.2 NC(=O)CCOCCCO 7a_100000757172_100011215043 [0,1,0,0,0,0|2,0,0]=3 2520 B9R0.2 NC(=O)CCSCCCF 62a_100000744528_100011934791 [0,1,0,0,0,0|2,0,0]=3 2521 B9R0.2 NC(=O)CCSCCCF 62a_100011934791_100000744528 [0,1,0,0,0,0|2,0,0]=3 2522 B9R0.2 NC(=O)CCSCCCO 62a_100000744528_100011215043 [0,1,0,0,0,0|2,0,0]=3 2523 B9R0.2 NC(=O)CCSCCCO 62a_100011215043_100000744528 [0,1,0,0,0,0|2,0,0]=3 2524 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [0,1,0,0,0,0|2,0,1]=4 2525 B9R0.2 NC(=O)CNCCCCF 2230a_100000711301_100000729493 [0,1,0,0,0,0|2,0,0]=3 2526 B9R0.2 NC(=O)CNCCCCO 2230a_100000711301_100000210776 [0,1,0,0,0,0|2,0,0]=3 2527 B9R0.2 NC(=O)CNCCCCO 2230a_100000750430_100000747473 [0,1,0,0,0,0|2,0,0]=3 2528 B9R0.2 NC(=O)CNCCCCO 34a_100000750430_100000187820 [0,1,0,0,0,0|2,0,0]=3 2529 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,1,0,0,0,0|2,0,0]=3 2530 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,1,0,0,0,0|2,0,0]=3 2531 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,1,0,0,0,0|2,0,0]=3 2532 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,1,0,0,0,0|2,0,0]=3 2533 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,1,0,0,0,0|2,0,0]=3 2534 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,1,0,0,0,0|2,0,0]=3 2535 B9R0.2 NC(=O)COCCSCF 62a_100000076697_100015361967 [0,1,0,0,0,0|3,0,0]=4 2536 B9R0.2 NC(=O)COCCSCF 62a_100015361967_100000076697 [0,1,0,0,0,0|3,0,0]=4 2537 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [0,1,0,0,0,0|2,0,1]=4 2538 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [0,1,0,0,0,0|2,0,1]=4 2539 B9R0.2 NC(=O)CSCCCCF 62a_100000729493_100000747473 [0,1,0,0,0,0|2,0,0]=3 2540 B9R0.2 NC(=O)CSCCCCF 62a_100000747473_100000729493 [0,1,0,0,0,0|2,0,0]=3 2541 B9R0.2 NC(=O)CSCCCCO 62a_100000210776_100000747473 [0,1,0,0,0,0|2,0,0]=3 2542 B9R0.2 NC(=O)CSCCCCO 62a_100000747473_100000210776 [0,1,0,0,0,0|2,0,0]=3 2543 B9R0.2 NC(=O)NCCNCCF 34a_100020590234_100011217306 [0,1,0,0,0,0|3,0,0]=4 2544 B9R0.2 NC(=O)NCCNCCO 2230a_100016997473_200000034859 [0,1,0,0,0,0|3,0,0]=4 2545 B9R0.2 NC(=O)NCCNCCO 34a_100020590234_100000211926 [0,1,0,0,0,0|3,0,0]=4 2546 B9R0.2 NC(=O)NCCOCCF 34a_100000181757_100011217306 [0,1,0,0,0,0|3,0,0]=4 2547 B9R0.2 NC(=O)NCCOCCO 34a_100000181757_100000211926 [0,1,0,0,0,0|3,0,0]=4 2548 B9R0.2 NC(=O)NCCSCCF 62a_100011217306_200000034859 [0,1,0,0,0,0|3,0,0]=4 2549 B9R0.2 NC(=O)NCCSCCF 62a_200000034859_100011217306 [0,1,0,0,0,0|3,0,0]=4 2550 B9R0.2 NC(=O)NCCSCCO 62a_100000211926_200000034859 [0,1,0,0,0,0|3,0,0]=4 2551 B9R0.2 NC(=O)NCCSCCO 62a_200000034859_100000211926 [0,1,0,0,0,0|3,0,0]=4 2552 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [0,1,0,0,0,0|3,0,0]=4 2553 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [0,1,0,0,0,0|3,0,0]=4 2554 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [0,1,0,0,0,0|3,0,0]=4 2555 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [0,1,0,0,0,0|3,0,0]=4 2556 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [0,1,0,0,0,0|3,0,0]=4 2557 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [0,1,0,0,0,0|3,0,0]=4 2558 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [0,1,0,0,0,0|3,0,0]=4 2559 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [0,1,0,0,0,0|3,0,0]=4 2560 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [0,1,0,0,0,0|3,0,0]=4 2561 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,1,0,0,0,0|2,0,0]=3 2562 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,1,0,0,0,0|1,0,1]=3 2563 B9R0.2 NCCCCOC[N+](=O)[O-] 34a_100000750430_100000761209 [0,1,0,0,0,0|2,0,1]=4 2564 B9R0.2 NCCCOCCC(=O)N 34a_100000182051_100000731001 [0,1,0,0,0,0|2,0,0]=3 2565 B9R0.2 NCCOCCCC(=O)N 34a_100000210304_100102525003 [0,1,0,0,0,0|2,0,0]=3 2566 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [0,1,0,0,0,0|3,0,0]=4 2567 B9R0.2 NOCCOCCC(=O)N 34a_100000700252_100000731001 [0,1,0,0,0,0|3,0,0]=4 2568 B9R0.2 O=C(O)CNCC#CCO 269956a_100016091260_200000047223 [0,1,0,0,0,0|1,0,2]=4 2569 B9R0.2 O=C(O)CNCCCCF 269956a_100016091260_100000729493 [0,1,0,0,0,0|1,0,0]=2 2570 B9R0.2 O=C(O)CNCCCCO 269956a_100016091260_100000210776 [0,1,0,0,0,0|1,0,0]=2 2571 B9R0.2 O=C(O)COCCNCF 269956a_100000700818_100015361967 [0,1,0,0,0,0|2,0,0]=3 2572 B9R0.2 O=C(O)CONCCCF 269956a_100000106656_100011934791 [0,1,0,0,0,0|2,0,0]=3 2573 B9R0.2 O=C(O)CONCCCO 269956a_100000106656_100011215043 [0,1,0,0,0,0|2,0,0]=3 2574 B9R0.2 O=C([O-])CNCCCCO 34a_100000750430_100020667443 [0,1,0,0,0,0|1,0,1]=3 2575 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,1,0,0,0,0|1,0,1]=3 2576 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,1,0,0,0,0|1,0,1]=3 2577 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,1,0,0,0,0|1,0,1]=3 2578 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,1,0,0,0,0|1,0,1]=3 2579 B9R0.2 O=C([O-])CSCCCCF 62a_100000729493_100020667443 [0,1,0,0,0,0|1,0,1]=3 2580 B9R0.2 O=C([O-])CSCCCCF 62a_100020667443_100000729493 [0,1,0,0,0,0|1,0,1]=3 2581 B9R0.2 O=C([O-])CSCCCCO 62a_100000210776_100020667443 [0,1,0,0,0,0|1,0,1]=3 2582 B9R0.2 O=C([O-])CSCCCCO 62a_100020667443_100000210776 [0,1,0,0,0,0|1,0,1]=3 2583 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,1,0,0,0,0|1,0,1]=3 2584 B9R0.2 O=CCCCSCC(=O)[O-] 62a_100020667443_200011292268 [0,1,0,0,0,0|1,0,2]=4 2585 B9R0.2 O=CCCCSCC(=O)[O-] 62a_200011292268_100020667443 [0,1,0,0,0,0|1,0,2]=4 2586 B9R0.2 O=[N+]([O-])CCCCOCF 34a_200015379883_100015361967 [0,1,0,0,0,0|2,0,1]=4 2587 B9R0.2 O=[N+]([O-])CCCCOCF 7a_200015379883_100015361967 [0,1,0,0,0,0|2,0,1]=4 2588 B9R0.2 O=[N+]([O-])CCCOCCF 34a_200000037920_100011217306 [0,1,0,0,0,0|2,0,1]=4 2589 B9R0.2 O=[N+]([O-])CCCOCCO 34a_200000037920_100000211926 [0,1,0,0,0,0|2,0,1]=4 2590 B9R0.2 O=[N+]([O-])CNCCCCO 34a_100000750430_100000761209 [0,1,0,0,0,0|2,0,1]=4 2591 B9R0.2 O=[N+]([O-])COCCCCBr 34a_100011216708_100000761209 [0,1,0,0,0,0|2,0,1]=4 2592 B9R0.2 O=[N+]([O-])COCCCCCl 34a_100000210776_100000761209 [0,1,0,0,0,0|2,0,1]=4 2593 B9R0.2 O=[N+]([O-])COCCCCF 34a_100011995726_100000761209 [0,1,0,0,0,0|2,0,1]=4 2594 B9R0.2 O=[N+]([O-])COCCCCI 34a_200012148704_100000761209 [0,1,0,0,0,0|2,0,1]=4 2595 B9R0.2 O=[N+]([O-])CSCCCCF 62a_100000729493_100000761209 [0,1,0,0,0,0|2,0,1]=4 2596 B9R0.2 O=[N+]([O-])CSCCCCO 62a_100000210776_100000761209 [0,1,0,0,0,0|2,0,1]=4 2597 B9R0.2 OB(O)CCCCSCF 62a_100015361967_200009817182 [0,1,0,0,0,0|2,0,1]=4 2598 B9R0.2 OB(O)CCCCSCF 62a_200009817182_100015361967 [0,1,0,0,0,0|2,0,1]=4 2599 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,1,0,0,0,0|1,0,0]=2 2600 B9R0.2 [13CH3]C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200025704644 [0,1,0,0,0,0|3,0,0]=4 2601 B9R0.2 [13CH3]OCCCCCC(=O)N 34a_100000123541_200025704644 [0,1,0,0,0,0|1,0,0]=2 2602 B9R0.2 [13CH3]OCCCCCC(=O)N 7a_100000123541_200025704644 [0,1,0,0,0,0|1,0,0]=2 2603 B9R0.2 [13CH3]OCCCCCC(=O)[O-] 7a_100102619762_200025704644 [0,1,0,0,0,0|0,0,1]=2 2604 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200009817188_200025704644 [0,1,0,0,0,0|1,0,1]=3 2605 B9R0.2 [13CH3]SCCCCCB(O)O 62a_200025704644_200009817188 [0,1,0,0,0,0|1,0,1]=3 2606 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_100009817443_200025704644 [0,1,0,0,0,0|1,0,0]=2 2607 B9R0.2 [13CH3]SCCCCCC(=O)N 62a_200025704644_100009817443 [0,1,0,0,0,0|1,0,0]=2 2608 B9R0.2 [13CH3]SCCCCO[N+](=O)[O-] 62a_200025704644_100015694321 [0,1,0,0,0,0|2,0,1]=4 2609 B9R0.4 C#CCCN(C)CC(=O)O 269956a_100000746989_100000688953 [0,1,0,0,0,0|1,0,2]=4 2610 B9R0.4 C/C=C/CN(C)CC(=O)O 269956a_100000746989_100102629194 [0,1,0,0,0,0|1,0,2]=4 2611 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,1,0,0,0,0|2,0,1]=4 2612 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000207549_100000748629 [0,1,0,0,0,0|3,0,0]=4 2613 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000225649_100000210211 [0,1,0,0,0,0|3,0,0]=4 2614 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000207549_100000748629 [0,1,0,0,0,0|3,0,0]=4 2615 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000225649_100000210211 [0,1,0,0,0,0|3,0,0]=4 2616 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,1,0,0,0,0|2,0,1]=4 2617 B9R0.4 C=C(F)CN(C)CCCC 2230a_100000207549_100009893438 [0,1,0,0,0,0|3,0,0]=4 2618 B9R0.4 C=C(F)CN(C)CCCC 269982a_100000207549_100009893438 [0,1,0,0,0,0|3,0,0]=4 2619 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [0,1,0,0,0,0|1,0,2]=4 2620 B9R0.4 CC#CCN(C)CC(=O)O 269956a_100000746989_100000748600 [0,1,0,0,0,0|1,0,2]=4 2621 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,1,0,0,0,0|1,0,1]=3 2622 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,1,0,0,0,0|1,0,1]=3 2623 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,1,0,0,0,0|0,0,2]=3 2624 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,1,0,0,0,0|1,0,2]=4 2625 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,1,0,0,0,0|1,0,2]=4 2626 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [0,1,0,0,0,0|1,0,2]=4 2627 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,1,0,0,0,0|2,0,0]=3 2628 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,1,0,0,0,0|2,0,0]=3 2629 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,1,0,0,0,0|2,0,0]=3 2630 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,1,0,0,0,0|2,0,0]=3 2631 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [0,1,0,0,0,0|2,0,0]=3 2632 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [0,1,0,0,0,0|2,0,0]=3 2633 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [0,1,0,0,0,0|2,0,0]=3 2634 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,1,0,0,0,0|1,0,0]=2 2635 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [0,1,0,0,0,0|1,0,1]=3 2636 B9R0.4 CCCCN(C)CC(C)O 2230a_100000207549_100011218427 [0,1,0,0,0,0|2,0,1]=4 2637 B9R0.4 CCCCN(C)CC(C)O 2230a_100000227577_100000210211 [0,1,0,0,0,0|2,0,1]=4 2638 B9R0.4 CCCCN(C)CC(C)O 269982a_100000207549_100011218427 [0,1,0,0,0,0|2,0,1]=4 2639 B9R0.4 CCCCN(C)CC(C)O 269982a_100000227577_100000210211 [0,1,0,0,0,0|2,0,1]=4 2640 B9R0.4 CCCCN(C)C[C@@H](C)O 2230a_100000207549_100009817552 [0,1,0,0,0,0|2,0,1]=4 2641 B9R0.4 CCCCN(C)C[C@@H](C)O 269982a_100000207549_100009817552 [0,1,0,0,0,0|2,0,1]=4 2642 B9R0.4 CCCCN(C)C[N+](=O)[O-] 269982a_100000207549_100000761209 [0,1,0,0,0,0|2,0,1]=4 2643 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,1,0,0,0,0|2,0,1]=4 2644 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,1,0,0,0,0|2,0,1]=4 2645 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,1,0,0,0,0|2,0,1]=4 2646 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,1,0,0,0,0|2,0,1]=4 2647 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,1,0,0,0,0|3,0,0]=4 2648 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,1,0,0,0,0|3,0,0]=4 2649 B9R0.4 CCNCC(O)CC(=O)O 269956a_100011218706_100000210202 [0,1,0,0,0,0|1,0,0]=2 2650 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,1,0,0,0,0|2,0,1]=4 2651 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,1,0,0,0,0|1,0,2]=4 2652 B9R0.4 CCOCN(C)CC(=O)O 269956a_100000746989_100000739092 [0,1,0,0,0,0|2,0,0]=3 2653 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [0,1,0,0,0,0|2,0,1]=4 2654 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [0,1,0,0,0,0|1,0,2]=4 2655 B9R0.4 CN(CCC#N)CC(=O)O 269956a_100000746989_100011215226 [0,1,0,0,0,0|2,0,1]=4 2656 B9R0.4 CN(CCC#N)CC(=O)O 269956a_100011218032_200000210301 [0,1,0,0,0,0|2,0,1]=4 2657 B9R0.4 CN(CCCF)CC(=O)N 2230a_100000739694_100011934791 [0,1,0,0,0,0|3,0,0]=4 2658 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [0,1,0,0,0,0|2,0,0]=3 2659 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000213112_100000747473 [0,1,0,0,0,0|3,0,0]=4 2660 B9R0.4 CN(CCCO)CC(=O)N 2230a_100000739694_100000230001 [0,1,0,0,0,0|3,0,0]=4 2661 B9R0.4 CN(CCCO)CC(=O)N 269982a_100000213112_100000187820 [0,1,0,0,0,0|3,0,0]=4 2662 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [0,1,0,0,0,0|2,0,0]=3 2663 B9R0.4 CN(CCCO)CC(=O)[O-] 269982a_100000213112_100020667443 [0,1,0,0,0,0|2,0,1]=4 2664 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [0,1,0,0,0,0|2,0,1]=4 2665 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [0,1,0,0,0,0|2,0,1]=4 2666 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [0,1,0,0,0,0|1,0,2]=4 2667 B9R0.4 COCCN(C)CC(=O)N 2230a_100000739694_100011201679 [0,1,0,0,0,0|3,0,0]=4 2668 B9R0.4 COCCN(C)CC(=O)N 2230a_100000743101_100000747473 [0,1,0,0,0,0|3,0,0]=4 2669 B9R0.4 COCCN(C)CC(=O)N 269982a_100000743101_100000187820 [0,1,0,0,0,0|3,0,0]=4 2670 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [0,1,0,0,0,0|2,0,0]=3 2671 B9R0.4 COCCN(C)CC(=O)[O-] 269982a_100000743101_100020667443 [0,1,0,0,0,0|2,0,1]=4 2672 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,1,0,0,0,0|2,0,1]=4 2673 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,1,0,0,0,0|2,0,1]=4 2674 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,1,0,0,0,0|1,0,2]=4 2675 B9R0.4 CSCCN(C)CC(=O)N 2230a_100000686725_100000747473 [0,1,0,0,0,0|3,0,0]=4 2676 B9R0.4 CSCCN(C)CC(=O)N 2230a_100000739694_100000751147 [0,1,0,0,0,0|3,0,0]=4 2677 B9R0.4 CSCCN(C)CC(=O)N 269982a_100000686725_100000187820 [0,1,0,0,0,0|3,0,0]=4 2678 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [0,1,0,0,0,0|2,0,0]=3 2679 B9R0.4 CSCCN(C)CC(=O)[O-] 269982a_100000686725_100020667443 [0,1,0,0,0,0|2,0,1]=4 2680 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,1,0,0,0,0|2,0,1]=4 2681 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,1,0,0,0,0|2,0,1]=4 2682 B9R0.4 O=C(O)CC(O)CNCF 269956a_100011218706_100015361967 [0,1,0,0,0,0|2,0,0]=3 2683 B9R0.4 [13CH3]N(CCC#N)CC(=O)O 269956a_100011218032_200025704644 [0,1,0,0,0,0|2,0,1]=4 2684 B9R0.38 CCCCCNS(=O)(=O)C 40a_100000209983_100000738038 [0,1,0,0,0,0|2,0,1]=4 2685 B9R0.38 CCCCNCC(C)(C)O 2230a_100000751335_100000210211 [0,1,0,0,0,0|2,0,1]=4 2686 B9R0.38 CCCCNCC(C)(C)O 7a_106832991798_100000764493 [0,1,0,0,0,0|2,0,1]=4 2687 B9R0.38 CCCCOCC(C)(C)O 34a_100000210227_100000764493 [0,1,0,0,0,0|2,0,1]=4 2688 B9R0.38 CCCCOCC(C)(C)O 7a_100000210227_100000764493 [0,1,0,0,0,0|2,0,1]=4 2689 B9R0.38 CCCCOCS(=O)(=O)[O-] 34a_100000210227_100009817235 [0,1,0,0,0,0|2,0,1]=4 2690 B9R0.38 CCCCSCC(C)(C)O 62a_100000210211_100000764493 [0,1,0,0,0,0|2,0,1]=4 2691 B9R0.38 CCCCSCC(C)(C)O 62a_100000764493_100000210210 [0,1,0,0,0,0|2,0,1]=4 2692 B9R0.38 CCCCSCS(=O)(=O)N 62a_100000210211_100000741382 [0,1,0,0,0,0|2,0,1]=4 2693 B9R0.38 CCCCSCS(=O)(=O)N 62a_100000741382_100000210210 [0,1,0,0,0,0|2,0,1]=4 2694 B9R0.38 CCCCSCS(=O)(=O)[O-] 62a_100000210211_100009817235 [0,1,0,0,0,0|2,0,1]=4 2695 B9R0.38 CCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210210 [0,1,0,0,0,0|2,0,1]=4 2696 B9R0.38 CCCNCCS(=O)(=O)C 2230a_100000740961_100000210303 [0,1,0,0,0,0|2,0,1]=4 2697 B9R0.38 CCCNCCS(=O)(=O)C 34a_100000740961_100000210303 [0,1,0,0,0,0|2,0,1]=4 2698 B9R0.38 CCCNCCS(=O)(=O)N 2230a_100000738205_100000210303 [0,1,0,0,0,0|2,0,1]=4 2699 B9R0.38 CCCNCCS(=O)(=O)N 34a_100000738205_100000210303 [0,1,0,0,0,0|2,0,1]=4 2700 B9R0.38 CCCOCCC(C)(C)O 34a_100000210258_100000702414 [0,1,0,0,0,0|2,0,1]=4 2701 B9R0.38 CCCOCCS(=O)(=O)C 34a_100000210258_100000731031 [0,1,0,0,0,0|2,0,1]=4 2702 B9R0.38 CCCOCCS(=O)(=O)C 34a_100000211924_100000210303 [0,1,0,0,0,0|2,0,1]=4 2703 B9R0.38 CCCOCCS(=O)(=O)C 7a_100000211924_100000210303 [0,1,0,0,0,0|2,0,1]=4 2704 B9R0.38 CCCOCCS(=O)(=O)N 34a_100012334274_100000210303 [0,1,0,0,0,0|2,0,1]=4 2705 B9R0.38 CCCOCCS(=O)(=O)[O-] 34a_100000210258_100000762736 [0,1,0,0,0,0|2,0,1]=4 2706 B9R0.38 CCCSCCC(C)(C)O 62a_100000210303_100000702414 [0,1,0,0,0,0|2,0,1]=4 2707 B9R0.38 CCCSCCC(C)(C)O 62a_100000702414_100000210303 [0,1,0,0,0,0|2,0,1]=4 2708 B9R0.38 CCCSCCS(=O)(=O)C 62a_100000210303_100000230027 [0,1,0,0,0,0|2,0,1]=4 2709 B9R0.38 CCCSCCS(=O)(=O)C 62a_100000731031_100000210303 [0,1,0,0,0,0|2,0,1]=4 2710 B9R0.38 CCCSCCS(=O)(=O)[O-] 62a_100000210303_100000762736 [0,1,0,0,0,0|2,0,1]=4 2711 B9R0.38 CCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210303 [0,1,0,0,0,0|2,0,1]=4 2712 B9R0.38 CCNCCCC(C)(C)O 2230a_100015525214_100009888830 [0,1,0,0,0,0|2,0,1]=4 2713 B9R0.38 CCNCCCS(=O)(=O)C 2230a_100000742409_100000210202 [0,1,0,0,0,0|2,0,1]=4 2714 B9R0.38 CCNCCCS(=O)(=O)C 2230a_100015525214_100000754308 [0,1,0,0,0,0|2,0,1]=4 2715 B9R0.38 CCNCCCS(=O)(=O)C 34a_100000742409_100000210202 [0,1,0,0,0,0|2,0,1]=4 2716 B9R0.38 CCNCCCS(=O)(=O)N 2230a_100015525214_100000750626 [0,1,0,0,0,0|2,0,1]=4 2717 B9R0.38 CCOCCCC(C)(C)O 34a_100121572206_100009888830 [0,1,0,0,0,0|2,0,1]=4 2718 B9R0.38 CCOCCCS(=O)(=O)C 34a_100000689940_100000210202 [0,1,0,0,0,0|2,0,1]=4 2719 B9R0.38 CCOCCCS(=O)(=O)C 34a_100121572206_100000754308 [0,1,0,0,0,0|2,0,1]=4 2720 B9R0.38 CCOCCCS(=O)(=O)C 7a_100000689940_100000210202 [0,1,0,0,0,0|2,0,1]=4 2721 B9R0.38 CCOCCCS(=O)(=O)N 34a_100121572206_100000750626 [0,1,0,0,0,0|2,0,1]=4 2722 B9R0.38 CCOCCCS(=O)(=O)[O-] 34a_100121572206_100009813499 [0,1,0,0,0,0|2,0,1]=4 2723 B9R0.38 CCSCCCC(C)(C)O 62a_100000210202_100009888830 [0,1,0,0,0,0|2,0,1]=4 2724 B9R0.38 CCSCCCC(C)(C)O 62a_100009888830_100000210202 [0,1,0,0,0,0|2,0,1]=4 2725 B9R0.38 CCSCCCS(=O)(=O)C 62a_100000210202_100000754308 [0,1,0,0,0,0|2,0,1]=4 2726 B9R0.38 CCSCCCS(=O)(=O)C 62a_100000754308_100000210202 [0,1,0,0,0,0|2,0,1]=4 2727 B9R0.38 CCSCCCS(=O)(=O)N 62a_100000210202_100000750626 [0,1,0,0,0,0|2,0,1]=4 2728 B9R0.38 CCSCCCS(=O)(=O)N 62a_100000750626_100000210202 [0,1,0,0,0,0|2,0,1]=4 2729 B9R0.38 CCSCCCS(=O)(=O)[O-] 62a_100000210202_100009813499 [0,1,0,0,0,0|2,0,1]=4 2730 B9R0.38 CCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210202 [0,1,0,0,0,0|2,0,1]=4 2731 B9R0.46 C#CC(=O)CC/C=C\CC 1458a_100000211873_100015370543 [0,1,0,0,0,0|1,0,2]=4 2732 B9R0.46 C#CC(=O)CCCCC#N 1458a_100000211873_100000211819 [0,1,0,0,0,0|2,0,1]=4 2733 B9R0.46 C#CC(=O)CCCCC=C 1458a_100000211873_100011215482 [0,1,0,0,0,0|1,0,2]=4 2734 B9R0.46 C#CC(=O)CCCCCC 1458a_100000211873_100000210757 [0,1,0,0,0,0|1,0,0]=2 2735 B9R0.46 C#CC(=O)CCCCCF 1458a_100000211873_100000729378 [0,1,0,0,0,0|2,0,0]=3 2736 B9R0.46 C#CC(=O)CCCCCO 1458a_100000211873_100000746330 [0,1,0,0,0,0|2,0,0]=3 2737 B9R0.46 C#CC(=O)CCCCOC 1458a_100000211873_100000755781 [0,1,0,0,0,0|2,0,0]=3 2738 B9R0.46 C#CC(=O)CCCOCC 1458a_100000211873_100012232248 [0,1,0,0,0,0|2,0,0]=3 2739 B9R0.46 C#CC(=O)CCOCCC 1458a_100000211873_100011215938 [0,1,0,0,0,0|2,0,0]=3 2740 B9R0.46 C#CC(=O)CCOCCO 1458a_100000211873_100011215305 [0,1,0,0,0,0|3,0,0]=4 2741 B9R0.46 C#CC(=O)COCCCC 1458a_100000211873_100011995733 [0,1,0,0,0,0|2,0,0]=3 2742 B9R0.46 C#CCCCCC(=O)C#C 1458a_100000211873_100010269958 [0,1,0,0,0,0|1,0,2]=4 2743 B9R0.46 C#CCCCCC(=O)C=C 1458a_100000185746_100010269958 [0,1,0,0,0,0|1,0,2]=4 2744 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,1,0,0,0,0|1,0,2]=4 2745 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,1,0,0,0,0|1,0,2]=4 2746 B9R0.46 C#CCCCCC(=O)CF 1458a_100000696528_100015361967 [0,1,0,0,0,0|1,0,2]=4 2747 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,1,0,0,0,0|0,0,2]=3 2748 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [0,1,0,0,0,0|1,0,2]=4 2749 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [0,1,0,0,0,0|1,0,2]=4 2750 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [0,1,0,0,0,0|1,0,2]=4 2751 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [0,1,0,0,0,0|1,0,2]=4 2752 B9R0.46 C#CCCCNC(=O)CO 240690a_100000718082_100000210174 [0,1,0,0,0,0|1,0,2]=4 2753 B9R0.46 C#CCCCNC(=O)CO 527a_100000718082_100000210174 [0,1,0,0,0,0|1,0,2]=4 2754 B9R0.46 C#CCCNCC(=O)OC 34a_100000755551_100000747449 [0,1,0,0,0,0|1,0,2]=4 2755 B9R0.46 C#CCCOCC(=O)OC 34a_100011215631_100000747449 [0,1,0,0,0,0|1,0,2]=4 2756 B9R0.46 C#CCCSCC(=O)OC 62a_100000688953_100000747449 [0,1,0,0,0,0|1,0,2]=4 2757 B9R0.46 C#CCCSCC(=O)OC 62a_100000747449_100000688953 [0,1,0,0,0,0|1,0,2]=4 2758 B9R0.46 C#CCNCCC(=O)OC 34a_100000212058_100000742370 [0,1,0,0,0,0|1,0,2]=4 2759 B9R0.46 C#CCOCCC(=O)CO 1458a_100000210174_100010402529 [0,1,0,0,0,0|1,0,2]=4 2760 B9R0.46 C#CCOCCC(=O)OC 34a_100000210247_100000742370 [0,1,0,0,0,0|1,0,2]=4 2761 B9R0.46 C#CCSCCC(=O)OC 62a_100000038162_100000204255 [0,1,0,0,0,0|1,0,2]=4 2762 B9R0.46 C/C=C/COCC(=O)OC 34a_100016270725_100000747449 [0,1,0,0,0,0|1,0,2]=4 2763 B9R0.46 C/C=C/CSCC(=O)OC 62a_100000747449_100102629194 [0,1,0,0,0,0|1,0,2]=4 2764 B9R0.46 C/C=C/CSCC(=O)OC 62a_100102629194_100000747449 [0,1,0,0,0,0|1,0,2]=4 2765 B9R0.46 C=C(C#N)CNCCCC 2230a_100000102301_100000694840 [0,1,0,0,0,0|3,0,0]=4 2766 B9R0.46 C=C(C#N)COCCCC 34a_100000210227_100000694840 [0,1,0,0,0,0|3,0,0]=4 2767 B9R0.46 C=C(C#N)CSCCCC 62a_100000210211_100000694840 [0,1,0,0,0,0|3,0,0]=4 2768 B9R0.46 C=CC(=O)CC/C=C\CC 1458a_100000185746_100015370543 [0,1,0,0,0,0|1,0,2]=4 2769 B9R0.46 C=CC(=O)CCCCC#N 1458a_100000185746_100000211819 [0,1,0,0,0,0|2,0,1]=4 2770 B9R0.46 C=CC(=O)CCCCCC 1458a_100000185746_100000210757 [0,1,0,0,0,0|1,0,0]=2 2771 B9R0.46 C=CC(=O)CCCCCF 1458a_100000185746_100000729378 [0,1,0,0,0,0|2,0,0]=3 2772 B9R0.46 C=CC(=O)CCCCCO 1458a_100000185746_100000746330 [0,1,0,0,0,0|2,0,0]=3 2773 B9R0.46 C=CC(=O)CCCCOC 1458a_100000185746_100000755781 [0,1,0,0,0,0|2,0,0]=3 2774 B9R0.46 C=CC(=O)CCCOCC 1458a_100000185746_100012232248 [0,1,0,0,0,0|2,0,0]=3 2775 B9R0.46 C=CC(=O)CCOCCC 1458a_100000185746_100011215938 [0,1,0,0,0,0|2,0,0]=3 2776 B9R0.46 C=CC(=O)CCOCCO 1458a_100000185746_100011215305 [0,1,0,0,0,0|3,0,0]=4 2777 B9R0.46 C=CC(=O)COCCCC 1458a_100000185746_100011995733 [0,1,0,0,0,0|2,0,0]=3 2778 B9R0.46 C=CC(=O)NCCCCC 1626a_100000209983_100000185746 [0,1,0,0,0,0|2,0,0]=3 2779 B9R0.46 C=CC(=O)NCCCCC 240690a_100000209983_200121576911 [0,1,0,0,0,0|2,0,0]=3 2780 B9R0.46 C=CC(=O)NCCCCO 240690a_100000750430_200121576911 [0,1,0,0,0,0|3,0,0]=4 2781 B9R0.46 C=CC(=O)NCCCOC 1626a_100150723488_100000185746 [0,1,0,0,0,0|3,0,0]=4 2782 B9R0.46 C=CC(=O)NCCCOC 240690a_100150723488_200121576911 [0,1,0,0,0,0|3,0,0]=4 2783 B9R0.46 C=CC(=O)NCCCSC 1626a_100000749238_100000185746 [0,1,0,0,0,0|3,0,0]=4 2784 B9R0.46 C=CC(=O)NCCCSC 240690a_100000749238_200121576911 [0,1,0,0,0,0|3,0,0]=4 2785 B9R0.46 C=CC(=O)NCCNCC 2230a_114873766552_100000210202 [0,1,0,0,0,0|3,0,0]=4 2786 B9R0.46 C=CC(=O)NCCOCC 1626a_102516460346_100000185746 [0,1,0,0,0,0|3,0,0]=4 2787 B9R0.46 C=CC(=O)NCCOCC 240690a_100011200944_200121576911 [0,1,0,0,0,0|3,0,0]=4 2788 B9R0.46 C=CC(=O)NCCOCC 34a_100011304386_100000210202 [0,1,0,0,0,0|3,0,0]=4 2789 B9R0.46 C=CC(=O)NCCSCC 1626a_100000106463_100000185746 [0,1,0,0,0,0|3,0,0]=4 2790 B9R0.46 C=CC(=O)NCCSCC 240690a_100000106463_200121576911 [0,1,0,0,0,0|3,0,0]=4 2791 B9R0.46 C=CC(=O)NNCCCC 22a_100025702795_100000185746 [0,1,0,0,0,0|3,0,0]=4 2792 B9R0.46 C=CC(=O)OCCNCC 2230a_100015525214_100009813456 [0,1,0,0,0,0|3,0,0]=4 2793 B9R0.46 C=CC(=O)OCCOCC 34a_100121572206_100009813456 [0,1,0,0,0,0|3,0,0]=4 2794 B9R0.46 C=CC(=O)OCCSCC 62a_100000210202_100009813456 [0,1,0,0,0,0|3,0,0]=4 2795 B9R0.46 C=CC(=O)OCCSCC 62a_100009813456_100000210202 [0,1,0,0,0,0|3,0,0]=4 2796 B9R0.46 C=CC(O)CNCCCC 2230a_100000102301_100000730141 [0,1,0,0,0,0|2,0,1]=4 2797 B9R0.46 C=CC(O)CNCCCC 7a_106832991798_100000730141 [0,1,0,0,0,0|2,0,1]=4 2798 B9R0.46 C=CC(O)COCCCC 34a_100000210227_100000730141 [0,1,0,0,0,0|2,0,1]=4 2799 B9R0.46 C=CC(O)COCCCC 7a_100000210227_100000730141 [0,1,0,0,0,0|2,0,1]=4 2800 B9R0.46 C=CC(O)CSCCCC 62a_100000210211_100000730141 [0,1,0,0,0,0|2,0,1]=4 2801 B9R0.46 C=CC(O)CSCCCC 62a_100000730141_100000210210 [0,1,0,0,0,0|2,0,1]=4 2802 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [0,1,0,0,0,0|1,0,2]=4 2803 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,1,0,0,0,0|1,0,2]=4 2804 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,1,0,0,0,0|1,0,2]=4 2805 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [0,1,0,0,0,0|1,0,2]=4 2806 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,1,0,0,0,0|0,0,2]=3 2807 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,1,0,0,0,0|1,0,2]=4 2808 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,1,0,0,0,0|1,0,2]=4 2809 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,1,0,0,0,0|1,0,2]=4 2810 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,1,0,0,0,0|1,0,2]=4 2811 B9R0.46 C=CCCCNC(=O)CO 240690a_100000700776_100000210174 [0,1,0,0,0,0|1,0,2]=4 2812 B9R0.46 C=CCCCNC(=O)CO 527a_100000700776_100000210174 [0,1,0,0,0,0|1,0,2]=4 2813 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [0,1,0,0,0,0|1,0,2]=4 2814 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,1,0,0,0,0|1,0,2]=4 2815 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,1,0,0,0,0|1,0,2]=4 2816 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,1,0,0,0,0|1,0,2]=4 2817 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,1,0,0,0,0|1,0,2]=4 2818 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [0,1,0,0,0,0|1,0,2]=4 2819 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,1,0,0,0,0|1,0,2]=4 2820 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,1,0,0,0,0|1,0,2]=4 2821 B9R0.46 CC#CCNCC(=O)OC 2230a_100000685387_100000747449 [0,1,0,0,0,0|1,0,2]=4 2822 B9R0.46 CC#CCNCC(=O)OC 34a_100000685387_100000747449 [0,1,0,0,0,0|1,0,2]=4 2823 B9R0.46 CC#CCOCC(=O)OC 34a_100000761923_100000747449 [0,1,0,0,0,0|1,0,2]=4 2824 B9R0.46 CC#CCSCC(=O)OC 62a_100000747449_100000748600 [0,1,0,0,0,0|1,0,2]=4 2825 B9R0.46 CC#CCSCC(=O)OC 62a_100000748600_100000747449 [0,1,0,0,0,0|1,0,2]=4 2826 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [0,1,0,0,0,0|1,0,2]=4 2827 B9R0.46 CC/C=C\CCC(=O)CO 1458a_100000210174_100015370543 [0,1,0,0,0,0|0,0,2]=3 2828 B9R0.46 CC=CCSCC(=O)OC 62a_100000070051_100000747449 [0,1,0,0,0,0|1,0,2]=4 2829 B9R0.46 CC=CCSCC(=O)OC 62a_100000747449_100000070051 [0,1,0,0,0,0|1,0,2]=4 2830 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,1,0,0,0,0|2,0,1]=4 2831 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,0,0,0,0|2,0,0]=3 2832 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,0,0,0,0|2,0,0]=3 2833 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,0,0,0,0|2,0,0]=3 2834 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|2,0,0]=3 2835 B9R0.46 CCC(=O)CCOCCO 1458a_100000210414_100011215305 [0,1,0,0,0,0|3,0,0]=4 2836 B9R0.46 CCC(=O)CCOCCO 1458a_100011229844_100000210202 [0,1,0,0,0,0|3,0,0]=4 2837 B9R0.46 CCC(=O)COCCCF 34a_100000725409_100011934791 [0,1,0,0,0,0|3,0,0]=4 2838 B9R0.46 CCC(=O)COCCCO 34a_100000725409_100000230001 [0,1,0,0,0,0|3,0,0]=4 2839 B9R0.46 CCC(=O)COCCOC 1458a_100000211095_100000210202 [0,1,0,0,0,0|3,0,0]=4 2840 B9R0.46 CCC(=O)COCCOC 34a_100000725409_100011201679 [0,1,0,0,0,0|3,0,0]=4 2841 B9R0.46 CCC(=O)COCCSC 34a_100000725409_100000212216 [0,1,0,0,0,0|3,0,0]=4 2842 B9R0.46 CCC(=O)COCCSC 7a_100000230434_100000747405 [0,1,0,0,0,0|3,0,0]=4 2843 B9R0.46 CCC(=O)CSCCCF 62a_100000747405_100011934791 [0,1,0,0,0,0|3,0,0]=4 2844 B9R0.46 CCC(=O)CSCCCF 62a_100011934791_100000747405 [0,1,0,0,0,0|3,0,0]=4 2845 B9R0.46 CCC(=O)CSCCCO 62a_100000747405_100011215043 [0,1,0,0,0,0|3,0,0]=4 2846 B9R0.46 CCC(=O)CSCCCO 62a_100011215043_100000747405 [0,1,0,0,0,0|3,0,0]=4 2847 B9R0.46 CCC(=O)CSCCOC 62a_100000233755_100000747405 [0,1,0,0,0,0|3,0,0]=4 2848 B9R0.46 CCC(=O)CSCCOC 62a_100000747405_100000233755 [0,1,0,0,0,0|3,0,0]=4 2849 B9R0.46 CCC(=O)CSCCSC 62a_100000212216_100000747405 [0,1,0,0,0,0|3,0,0]=4 2850 B9R0.46 CCC(=O)CSCCSC 62a_100000747405_100000751147 [0,1,0,0,0,0|3,0,0]=4 2851 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,1,0,0,0,0|3,0,0]=4 2852 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,1,0,0,0,0|3,0,0]=4 2853 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,1,0,0,0,0|3,0,0]=4 2854 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,1,0,0,0,0|3,0,0]=4 2855 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,1,0,0,0,0|3,0,0]=4 2856 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,1,0,0,0,0|3,0,0]=4 2857 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,1,0,0,0,0|3,0,0]=4 2858 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,1,0,0,0,0|3,0,0]=4 2859 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,1,0,0,0,0|3,0,0]=4 2860 B9R0.46 CCC/C=C/CC(=O)CC 1458a_200016266809_100000210202 [0,1,0,0,0,0|1,0,2]=4 2861 B9R0.46 CCC/C=C/CC(=O)CF 1458a_200016266809_100015361967 [0,1,0,0,0,0|1,0,2]=4 2862 B9R0.46 CCC/C=C/CC(=O)NC 11a_106832991635_200016266809 [0,1,0,0,0,0|1,0,2]=4 2863 B9R0.46 CCC/C=C/CC(=O)NC 1626a_100102657272_200016266809 [0,1,0,0,0,0|1,0,2]=4 2864 B9R0.46 CCC/C=C/CC(=O)NC 240690a_100102657272_200016266809 [0,1,0,0,0,0|1,0,2]=4 2865 B9R0.46 CCC/C=C/CC(=O)NC 527a_100102657272_200016266809 [0,1,0,0,0,0|1,0,2]=4 2866 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [0,1,0,0,0,0|1,0,2]=4 2867 B9R0.46 CCCCC=CC(=O)CF 1458a_100016266645_100015361967 [0,1,0,0,0,0|1,0,2]=4 2868 B9R0.46 CCCCC=CC(=O)NC 11a_106832991635_100016266645 [0,1,0,0,0,0|1,0,2]=4 2869 B9R0.46 CCCCC=CC(=O)NC 1626a_100102657272_100016266645 [0,1,0,0,0,0|1,0,2]=4 2870 B9R0.46 CCCCC=CC(=O)NC 240690a_100102657272_100016266645 [0,1,0,0,0,0|1,0,2]=4 2871 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|1,0,0]=2 2872 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|1,0,0]=2 2873 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,0,0,0,0|1,0,0]=2 2874 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,0,0,0,0|0,0,0]=1 2875 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|1,0,0]=2 2876 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|1,0,0]=2 2877 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|1,0,0]=2 2878 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|1,0,0]=2 2879 B9R0.46 CCCCCCC(C)NC 2230a_100000210919_200000210301 [0,1,0,0,0,0|2,0,1]=4 2880 B9R0.46 CCCCCCC(C)NC 2230a_106832991635_100011215978 [0,1,0,0,0,0|2,0,1]=4 2881 B9R0.46 CCCCCCC(C)NC 270004a_106832991635_100000210826 [0,1,0,0,0,0|2,0,1]=4 2882 B9R0.46 CCCCCCC(C)NC 34a_100000210919_200000210301 [0,1,0,0,0,0|2,0,1]=4 2883 B9R0.46 CCCCCCC(C)NC 34a_100102657272_100011215978 [0,1,0,0,0,0|2,0,1]=4 2884 B9R0.46 CCCCCCC(C)NC 7a_106832991635_100011215978 [0,1,0,0,0,0|2,0,1]=4 2885 B9R0.46 CCCCCCC(C)N[13CH3] 2230a_100000210919_200025704644 [0,1,0,0,0,0|2,0,1]=4 2886 B9R0.46 CCCCCCC(C)N[13CH3] 34a_100000210919_200025704644 [0,1,0,0,0,0|2,0,1]=4 2887 B9R0.46 CCCCCCC(C)OC 34a_100000210265_200000210301 [0,1,0,0,0,0|1,0,1]=3 2888 B9R0.46 CCCCCCC(C)OC 34a_100138415774_100011215978 [0,1,0,0,0,0|1,0,1]=3 2889 B9R0.46 CCCCCCC(C)OC 7a_100000210265_200000210301 [0,1,0,0,0,0|1,0,1]=3 2890 B9R0.46 CCCCCCC(C)O[13CH3] 34a_100000210265_200025704644 [0,1,0,0,0,0|1,0,1]=3 2891 B9R0.46 CCCCCCC(C)O[13CH3] 7a_100000210265_200025704644 [0,1,0,0,0,0|1,0,1]=3 2892 B9R0.46 CCCCCCC(C)SC 62a_100011215978_200000210301 [0,1,0,0,0,0|1,1,1]=4 2893 B9R0.46 CCCCCCC(C)SC 62a_200000210301_100011215978 [0,1,0,0,0,0|1,1,1]=4 2894 B9R0.46 CCCCCCC(C)S[13CH3] 62a_100011215978_200025704644 [0,1,0,0,0,0|1,1,1]=4 2895 B9R0.46 CCCCCCC(C)S[13CH3] 62a_200025704644_100011215978 [0,1,0,0,0,0|1,1,1]=4 2896 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [0,1,0,0,0,0|3,0,0]=4 2897 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [0,1,0,0,0,0|3,0,0]=4 2898 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [0,1,0,0,0,0|3,0,0]=4 2899 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [0,1,0,0,0,0|3,0,0]=4 2900 B9R0.46 CCCCCCN(C)CF 269982a_106256046315_100015361967 [0,1,0,0,0,0|3,0,0]=4 2901 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,0,0,0,0|2,0,0]=3 2902 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,0,0,0,0|2,0,0]=3 2903 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,0,0,0,0|2,0,0]=3 2904 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,0,0,0,0|2,0,0]=3 2905 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,0,0,0,0|1,0,0]=2 2906 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,0,0,0,0|1,0,0]=2 2907 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,1,0,0,0,0|2,0,0]=3 2908 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,1,0,0,0,0|2,0,0]=3 2909 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,1,0,0,0,0|2,0,0]=3 2910 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,1,0,0,0,0|2,0,0]=3 2911 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,1,0,0,0,0|2,0,0]=3 2912 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,1,0,0,0,0|2,0,0]=3 2913 B9R0.46 CCCCCNC(C)CO 2230a_100000209983_100012180447 [0,1,0,0,0,0|2,0,1]=4 2914 B9R0.46 CCCCCN[C@H](C)CO 2230a_100000737577_100000210326 [0,1,0,0,0,0|2,0,1]=4 2915 B9R0.46 CCCCCOC(C)CO 34a_100000210253_100012180447 [0,1,0,0,0,0|2,0,1]=4 2916 B9R0.46 CCCCCOC(C)CO 7a_100000210253_100012180447 [0,1,0,0,0,0|2,0,1]=4 2917 B9R0.46 CCCCCSC(C)CO 62a_100012180447_100000210326 [0,1,0,0,0,0|2,0,1]=4 2918 B9R0.46 CCCCCSC(C)OC 62a_100000210326_100009879195 [0,1,0,0,0,0|2,0,1]=4 2919 B9R0.46 CCCCCSC(C)OC 62a_100009879195_100000210326 [0,1,0,0,0,0|2,0,1]=4 2920 B9R0.46 CCCCCS[C@H](C)CO 62a_100000210326_100016084084 [0,1,0,0,0,0|2,0,1]=4 2921 B9R0.46 CCCCCS[C@H](C)CO 62a_100016084084_100000210326 [0,1,0,0,0,0|2,0,1]=4 2922 B9R0.46 CCCCNCC(=O)CC 7a_106832991798_100000747405 [0,1,0,0,0,0|2,0,0]=3 2923 B9R0.46 CCCCNCC(=O)NC 2230a_100000102301_100000183359 [0,1,0,0,0,0|2,0,0]=3 2924 B9R0.46 CCCCNCC(=O)NC 2230a_100000693194_100000210211 [0,1,0,0,0,0|2,0,0]=3 2925 B9R0.46 CCCCNCC(=O)NC 7a_106832991798_100000183359 [0,1,0,0,0,0|2,0,0]=3 2926 B9R0.46 CCCCNCC(=O)OC 2230a_100000102301_100000747449 [0,1,0,0,0,0|1,0,0]=2 2927 B9R0.46 CCCCNCC(=O)OC 7a_106832991798_100000747449 [0,1,0,0,0,0|1,0,0]=2 2928 B9R0.46 CCCCNCC(C)CO 34a_100000744482_100000210210 [0,1,0,0,0,0|2,0,1]=4 2929 B9R0.46 CCCCNCC(O)CC 2230a_100000102301_100011218378 [0,1,0,0,0,0|2,0,1]=4 2930 B9R0.46 CCCCNCC(O)CC 2230a_100011218483_100000210211 [0,1,0,0,0,0|2,0,1]=4 2931 B9R0.46 CCCCNCC(O)CC 7a_106832991798_100011218378 [0,1,0,0,0,0|2,0,1]=4 2932 B9R0.46 CCCCNCC(O)CO 2230a_100000102301_100011219619 [0,1,0,0,0,0|1,0,2]=4 2933 B9R0.46 CCCCNCC(O)CO 7a_106832991798_100011219619 [0,1,0,0,0,0|1,0,2]=4 2934 B9R0.46 CCCCNC[C@@H](C)CO 2230a_100000102301_100000059175 [0,1,0,0,0,0|2,0,1]=4 2935 B9R0.46 CCCCNC[C@@H](C)CO 7a_106832991798_100000059175 [0,1,0,0,0,0|2,0,1]=4 2936 B9R0.46 CCCCNC[C@@H](C)OC 2230a_100020591295_100000210211 [0,1,0,0,0,0|2,0,1]=4 2937 B9R0.46 CCCCNC[C@@H](F)CO 34a_100015665980_100000210210 [0,1,0,0,0,0|2,0,1]=4 2938 B9R0.46 CCCCNC[C@@H](O)CF 2230a_100000102301_100015614560 [0,1,0,0,0,0|2,0,1]=4 2939 B9R0.46 CCCCNC[C@@H](O)CF 7a_106832991798_100015614560 [0,1,0,0,0,0|2,0,1]=4 2940 B9R0.46 CCCCNC[C@@H](O)CO 2230a_100000102301_100009815848 [0,1,0,0,0,0|1,0,2]=4 2941 B9R0.46 CCCCNC[C@@H](O)CO 7a_106832991798_100009815848 [0,1,0,0,0,0|1,0,2]=4 2942 B9R0.46 CCCCNC[C@H](O)CO 2230a_100020644852_100000210211 [0,1,0,0,0,0|1,0,2]=4 2943 B9R0.46 CCCCNN=C(C)CO 4a_100025702795_100000211253 [0,1,0,0,0,0|3,0,0]=4 2944 B9R0.46 CCCCNNC(=O)CC 22a_100025702795_100000210414 [0,1,0,0,0,0|3,0,0]=4 2945 B9R0.46 CCCCNNC(=O)CO 22a_100025702795_100000210174 [0,1,0,0,0,0|2,0,0]=3 2946 B9R0.46 CCCCNNC(=O)NC 273464a_100102657272_100025702795 [0,1,0,0,0,0|3,0,0]=4 2947 B9R0.46 CCCCNNC(=O)NC 512a_100025702795_100102657272 [0,1,0,0,0,0|3,0,0]=4 2948 B9R0.46 CCCCNNC(=O)NC 512a_106832991638_100025702795 [0,1,0,0,0,0|3,0,0]=4 2949 B9R0.46 CCCCOCC(=O)CC 1458a_100000210414_100011995733 [0,1,0,0,0,0|2,0,0]=3 2950 B9R0.46 CCCCOCC(=O)CC 1458a_100000757543_100000210202 [0,1,0,0,0,0|2,0,0]=3 2951 B9R0.46 CCCCOCC(=O)CC 34a_100000725409_100000210210 [0,1,0,0,0,0|2,0,0]=3 2952 B9R0.46 CCCCOCC(=O)CC 7a_100000210227_100000747405 [0,1,0,0,0,0|2,0,0]=3 2953 B9R0.46 CCCCOCC(=O)CF 1458a_100000757543_100015361967 [0,1,0,0,0,0|2,0,0]=3 2954 B9R0.46 CCCCOCC(=O)CO 1458a_100000210174_100011995733 [0,1,0,0,0,0|1,0,0]=2 2955 B9R0.46 CCCCOCC(=O)NC 11a_106832991635_100000757543 [0,1,0,0,0,0|2,0,0]=3 2956 B9R0.46 CCCCOCC(=O)NC 1626a_100102657272_100000757543 [0,1,0,0,0,0|2,0,0]=3 2957 B9R0.46 CCCCOCC(=O)NC 240690a_100102657272_100000757543 [0,1,0,0,0,0|2,0,0]=3 2958 B9R0.46 CCCCOCC(=O)NC 34a_100000210227_100000183359 [0,1,0,0,0,0|2,0,0]=3 2959 B9R0.46 CCCCOCC(=O)NC 34a_100000750040_100000210210 [0,1,0,0,0,0|2,0,0]=3 2960 B9R0.46 CCCCOCC(=O)NC 527a_100102657272_100000757543 [0,1,0,0,0,0|2,0,0]=3 2961 B9R0.46 CCCCOCC(=O)NC 7a_100000210227_100000183359 [0,1,0,0,0,0|2,0,0]=3 2962 B9R0.46 CCCCOCC(=O)OC 34a_100000210227_100000747449 [0,1,0,0,0,0|1,0,0]=2 2963 B9R0.46 CCCCOCC(=O)OC 7a_100000210227_100000747449 [0,1,0,0,0,0|1,0,0]=2 2964 B9R0.46 CCCCOCC(C)OC 34a_100000690652_100000210210 [0,1,0,0,0,0|2,0,1]=4 2965 B9R0.46 CCCCOCC(C)OC 34a_100011217071_200000210301 [0,1,0,0,0,0|2,0,1]=4 2966 B9R0.46 CCCCOCC(C)OC 7a_100011217071_200000210301 [0,1,0,0,0,0|2,0,1]=4 2967 B9R0.46 CCCCOCC(C)O[13CH3] 34a_100011217071_200025704644 [0,1,0,0,0,0|2,0,1]=4 2968 B9R0.46 CCCCOCC(C)O[13CH3] 7a_100011217071_200025704644 [0,1,0,0,0,0|2,0,1]=4 2969 B9R0.46 CCCCOCC(O)CC 34a_100000210227_100011218378 [0,1,0,0,0,0|2,0,1]=4 2970 B9R0.46 CCCCOCC(O)CC 7a_100000210227_100011218378 [0,1,0,0,0,0|2,0,1]=4 2971 B9R0.46 CCCCOCC(O)CO 34a_100000210227_100011219619 [0,1,0,0,0,0|1,0,2]=4 2972 B9R0.46 CCCCOCC(O)CO 7a_100000210227_100011219619 [0,1,0,0,0,0|1,0,2]=4 2973 B9R0.46 CCCCOC[C@@H](C)CO 34a_100000210227_100000059175 [0,1,0,0,0,0|2,0,1]=4 2974 B9R0.46 CCCCOC[C@@H](C)CO 7a_100000210227_100000059175 [0,1,0,0,0,0|2,0,1]=4 2975 B9R0.46 CCCCOC[C@@H](O)CF 34a_100000210227_100015614560 [0,1,0,0,0,0|2,0,1]=4 2976 B9R0.46 CCCCOC[C@@H](O)CF 7a_100000210227_100015614560 [0,1,0,0,0,0|2,0,1]=4 2977 B9R0.46 CCCCOC[C@@H](O)CO 34a_100000210227_100009815848 [0,1,0,0,0,0|1,0,2]=4 2978 B9R0.46 CCCCOC[C@@H](O)CO 7a_100000210227_100009815848 [0,1,0,0,0,0|1,0,2]=4 2979 B9R0.46 CCCCSCC(=O)CC 1458a_100000191162_100000210202 [0,1,0,0,0,0|2,0,0]=3 2980 B9R0.46 CCCCSCC(=O)CC 62a_100000210211_100000747405 [0,1,0,0,0,0|2,0,0]=3 2981 B9R0.46 CCCCSCC(=O)CC 62a_100000747405_100000210210 [0,1,0,0,0,0|2,0,0]=3 2982 B9R0.46 CCCCSCC(=O)CF 1458a_100000191162_100015361967 [0,1,0,0,0,0|2,0,0]=3 2983 B9R0.46 CCCCSCC(=O)NC 11a_106832991635_100000191162 [0,1,0,0,0,0|2,0,0]=3 2984 B9R0.46 CCCCSCC(=O)NC 1626a_100102657272_100000191162 [0,1,0,0,0,0|2,0,0]=3 2985 B9R0.46 CCCCSCC(=O)NC 240690a_100102657272_100000191162 [0,1,0,0,0,0|2,0,0]=3 2986 B9R0.46 CCCCSCC(=O)NC 527a_100102657272_100000191162 [0,1,0,0,0,0|2,0,0]=3 2987 B9R0.46 CCCCSCC(=O)NC 62a_100000183359_100000210210 [0,1,0,0,0,0|2,0,0]=3 2988 B9R0.46 CCCCSCC(=O)NC 62a_100000210211_100000183359 [0,1,0,0,0,0|2,0,0]=3 2989 B9R0.46 CCCCSCC(=O)OC 62a_100000210211_100000747449 [0,1,0,0,0,0|1,0,0]=2 2990 B9R0.46 CCCCSCC(=O)OC 62a_100000747449_100000210210 [0,1,0,0,0,0|1,0,0]=2 2991 B9R0.46 CCCCSCC(O)CC 62a_100000210211_100011218378 [0,1,0,0,0,0|2,0,1]=4 2992 B9R0.46 CCCCSCC(O)CC 62a_100011218378_100000210210 [0,1,0,0,0,0|2,0,1]=4 2993 B9R0.46 CCCCSCC(O)CO 62a_100000210211_100011219619 [0,1,0,0,0,0|1,0,2]=4 2994 B9R0.46 CCCCSCC(O)CO 62a_100011219619_100000210210 [0,1,0,0,0,0|1,0,2]=4 2995 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000059175_100000210210 [0,1,0,0,0,0|2,0,1]=4 2996 B9R0.46 CCCCSC[C@@H](C)CO 62a_100000210211_100000059175 [0,1,0,0,0,0|2,0,1]=4 2997 B9R0.46 CCCCSC[C@@H](O)CF 62a_100000210211_100015614560 [0,1,0,0,0,0|2,0,1]=4 2998 B9R0.46 CCCCSC[C@@H](O)CF 62a_100015614560_100000210210 [0,1,0,0,0,0|2,0,1]=4 2999 B9R0.46 CCCCSC[C@@H](O)CO 62a_100000210211_100009815848 [0,1,0,0,0,0|1,0,2]=4 3000 B9R0.46 CCCCSC[C@@H](O)CO 62a_100009815848_100000210210 [0,1,0,0,0,0|1,0,2]=4 3001 B9R0.46 CCCNCCC(=O)NC 2230a_100000738227_100000210303 [0,1,0,0,0,0|2,0,0]=3 3002 B9R0.46 CCCNCCC(=O)NC 34a_100000738227_100000210303 [0,1,0,0,0,0|2,0,0]=3 3003 B9R0.46 CCCNCCC(C)CO 2230a_106354213184_100000210303 [0,1,0,0,0,0|2,0,1]=4 3004 B9R0.46 CCCNCCC(C)CO 34a_106354213184_100000210303 [0,1,0,0,0,0|2,0,1]=4 3005 B9R0.46 CCCNN=CC(=O)OC 4a_100000740057_200011823558 [0,1,0,0,0,0|2,0,1]=4 3006 B9R0.46 CCCOCCC(=NO)N 34a_100000749954_100000210303 [0,1,0,0,0,0|2,0,0]=3 3007 B9R0.46 CCCOCCC(=O)CC 1458a_100000210414_100011215938 [0,1,0,0,0,0|2,0,0]=3 3008 B9R0.46 CCCOCCC(=O)CO 1458a_100000210174_100011215938 [0,1,0,0,0,0|1,0,0]=2 3009 B9R0.46 CCCOCCC(=O)NC 34a_100000210258_100012179268 [0,1,0,0,0,0|2,0,0]=3 3010 B9R0.46 CCCOCCC(=O)NC 34a_100000754576_100000210303 [0,1,0,0,0,0|2,0,0]=3 3011 B9R0.46 CCCOCCC(=O)OC 34a_100000210258_100000742370 [0,1,0,0,0,0|1,0,0]=2 3012 B9R0.46 CCCOCCC(C)OC 7a_100000764861_100000210303 [0,1,0,0,0,0|2,0,1]=4 3013 B9R0.46 CCCSCCC(=O)NC 62a_100000210303_100000737683 [0,1,0,0,0,0|2,0,0]=3 3014 B9R0.46 CCCSCCC(=O)NC 62a_100000737683_100000210303 [0,1,0,0,0,0|2,0,0]=3 3015 B9R0.46 CCCSCCC(=O)OC 62a_100000204255_100000210303 [0,1,0,0,0,0|1,0,0]=2 3016 B9R0.46 CCCSCCC(=O)OC 62a_100000210303_100000204255 [0,1,0,0,0,0|1,0,0]=2 3017 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,1,0,0,0,0|2,0,0]=3 3018 B9R0.46 CCNC/C=C/C(=O)OC 2230a_100015525214_100000742655 [0,1,0,0,0,0|1,0,2]=4 3019 B9R0.46 CCNCCCC(=O)NC 2230a_100000740002_100000210202 [0,1,0,0,0,0|2,0,0]=3 3020 B9R0.46 CCNCCCC(=O)NC 2230a_100015525214_100000741757 [0,1,0,0,0,0|2,0,0]=3 3021 B9R0.46 CCNCCCC(=O)NC 34a_100000740002_100000210202 [0,1,0,0,0,0|2,0,0]=3 3022 B9R0.46 CCNCCCC(=O)OC 2230a_100015525214_100011218270 [0,1,0,0,0,0|1,0,0]=2 3023 B9R0.46 CCNCCNC(=O)CC 34a_100132302217_100000210202 [0,1,0,0,0,0|3,0,0]=4 3024 B9R0.46 CCNCCNC(=O)NC 34a_100015205895_100000210202 [0,1,0,0,0,0|3,0,0]=4 3025 B9R0.46 CCNN=CCC(=O)OC 4a_100000756455_200011552997 [0,1,0,0,0,0|2,0,1]=4 3026 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [0,1,0,0,0,0|1,0,2]=4 3027 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [0,1,0,0,0,0|2,0,0]=3 3028 B9R0.46 CCOCCCC(=O)CO 1458a_100000210174_100012232248 [0,1,0,0,0,0|1,0,0]=2 3029 B9R0.46 CCOCCCC(=O)NC 34a_100121572206_100000741757 [0,1,0,0,0,0|2,0,0]=3 3030 B9R0.46 CCOCCCC(=O)NN 34a_100000211488_100000210202 [0,1,0,0,0,0|2,0,0]=3 3031 B9R0.46 CCOCCCC(=O)OC 34a_100121572206_100000742333 [0,1,0,0,0,0|1,0,0]=2 3032 B9R0.46 CCOCCNC(=O)CC 11a_100011200944_100000210414 [0,1,0,0,0,0|3,0,0]=4 3033 B9R0.46 CCOCCNC(=O)CC 1626a_102516460346_100000210414 [0,1,0,0,0,0|3,0,0]=4 3034 B9R0.46 CCOCCNC(=O)CC 240690a_100011200944_100000210414 [0,1,0,0,0,0|3,0,0]=4 3035 B9R0.46 CCOCCNC(=O)CC 34a_200000158885_100000210202 [0,1,0,0,0,0|3,0,0]=4 3036 B9R0.46 CCOCCNC(=O)CC 527a_100011200944_100000210414 [0,1,0,0,0,0|3,0,0]=4 3037 B9R0.46 CCOCCNC(=O)CC 7a_200000158885_100000210202 [0,1,0,0,0,0|3,0,0]=4 3038 B9R0.46 CCOCCNC(=O)CO 240690a_100011200944_100000210174 [0,1,0,0,0,0|2,0,0]=3 3039 B9R0.46 CCOCCNC(=O)CO 527a_100011200944_100000210174 [0,1,0,0,0,0|2,0,0]=3 3040 B9R0.46 CCOCCNC(=O)NC 2708a_100011200944_106832991635 [0,1,0,0,0,0|3,0,0]=4 3041 B9R0.46 CCOCCNC(=O)NC 2708a_100102657272_100011200944 [0,1,0,0,0,0|3,0,0]=4 3042 B9R0.46 CCOCCNC(=O)NC 273464a_100102657272_102516460346 [0,1,0,0,0,0|3,0,0]=4 3043 B9R0.46 CCOCCNC(=O)NC 273464a_102516460346_100102657272 [0,1,0,0,0,0|3,0,0]=4 3044 B9R0.46 CCOCCNC(=O)NC 512a_100011200944_100102657272 [0,1,0,0,0,0|3,0,0]=4 3045 B9R0.46 CCOCCNC(=O)NC 512a_106832991638_100011200944 [0,1,0,0,0,0|3,0,0]=4 3046 B9R0.46 CCOCCNC(=O)OC 34a_100000757965_100000210202 [0,1,0,0,0,0|2,0,0]=3 3047 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,1,0,0,0,0|3,0,0]=4 3048 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,1,0,0,0,0|3,0,0]=4 3049 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,1,0,0,0,0|2,0,0]=3 3050 B9R0.46 CCOCSCC(=O)CC 62a_100000739092_100000747405 [0,1,0,0,0,0|3,0,0]=4 3051 B9R0.46 CCOCSCC(=O)CC 62a_100000747405_100000739092 [0,1,0,0,0,0|3,0,0]=4 3052 B9R0.46 CCOCSCC(=O)NC 62a_100000183359_100000739092 [0,1,0,0,0,0|3,0,0]=4 3053 B9R0.46 CCOCSCC(=O)NC 62a_100000739092_100000183359 [0,1,0,0,0,0|3,0,0]=4 3054 B9R0.46 CCOCSCC(=O)OC 62a_100000739092_100000747449 [0,1,0,0,0,0|2,0,0]=3 3055 B9R0.46 CCOCSCC(=O)OC 62a_100000747449_100000739092 [0,1,0,0,0,0|2,0,0]=3 3056 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000210202_100000742655 [0,1,0,0,0,0|1,0,2]=4 3057 B9R0.46 CCSC/C=C/C(=O)OC 62a_100000742655_100000210202 [0,1,0,0,0,0|1,0,2]=4 3058 B9R0.46 CCSCCCC(=O)NC 62a_100000210202_100000741757 [0,1,0,0,0,0|2,0,0]=3 3059 B9R0.46 CCSCCCC(=O)NC 62a_100000741757_100000210202 [0,1,0,0,0,0|2,0,0]=3 3060 B9R0.46 CCSCCCC(=O)OC 62a_100000210202_100011218270 [0,1,0,0,0,0|1,0,0]=2 3061 B9R0.46 CCSCCCC(=O)OC 62a_100011218270_100000210202 [0,1,0,0,0,0|1,0,0]=2 3062 B9R0.46 CCSCCNC(=O)CC 11a_100000106463_100000210414 [0,1,0,0,0,0|3,0,0]=4 3063 B9R0.46 CCSCCNC(=O)CC 1626a_100000106463_100000210414 [0,1,0,0,0,0|3,0,0]=4 3064 B9R0.46 CCSCCNC(=O)CC 240690a_100000106463_100000210414 [0,1,0,0,0,0|3,0,0]=4 3065 B9R0.46 CCSCCNC(=O)CC 527a_100000106463_100000210414 [0,1,0,0,0,0|3,0,0]=4 3066 B9R0.46 CCSCCNC(=O)CO 240690a_100000106463_100000210174 [0,1,0,0,0,0|2,0,0]=3 3067 B9R0.46 CCSCCNC(=O)CO 527a_100000106463_100000210174 [0,1,0,0,0,0|2,0,0]=3 3068 B9R0.46 CCSCCNC(=O)NC 2708a_100000106463_106832991635 [0,1,0,0,0,0|3,0,0]=4 3069 B9R0.46 CCSCCNC(=O)NC 2708a_100102657272_100000106463 [0,1,0,0,0,0|3,0,0]=4 3070 B9R0.46 CCSCCNC(=O)NC 273464a_100000106463_100102657272 [0,1,0,0,0,0|3,0,0]=4 3071 B9R0.46 CCSCCNC(=O)NC 273464a_100102657272_100000106463 [0,1,0,0,0,0|3,0,0]=4 3072 B9R0.46 CCSCCNC(=O)NC 512a_100000106463_100102657272 [0,1,0,0,0,0|3,0,0]=4 3073 B9R0.46 CCSCCNC(=O)NC 512a_106832991638_100000106463 [0,1,0,0,0,0|3,0,0]=4 3074 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,1,0,0,0,0|3,0,0]=4 3075 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,1,0,0,0,0|3,0,0]=4 3076 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,1,0,0,0,0|2,0,0]=3 3077 B9R0.46 CNC(=O)CCCNCF 34a_100000740002_100015361967 [0,1,0,0,0,0|3,0,0]=4 3078 B9R0.46 CNC(=O)CCCSCF 62a_100000741757_100015361967 [0,1,0,0,0,0|3,0,0]=4 3079 B9R0.46 CNC(=O)CCCSCF 62a_100015361967_100000741757 [0,1,0,0,0,0|3,0,0]=4 3080 B9R0.46 CNC(=O)CCNCCF 2230a_100000738227_100011217306 [0,1,0,0,0,0|3,0,0]=4 3081 B9R0.46 CNC(=O)CCNCCF 34a_100000724931_100012179268 [0,1,0,0,0,0|3,0,0]=4 3082 B9R0.46 CNC(=O)CCNCCF 34a_100000738227_100011217306 [0,1,0,0,0,0|3,0,0]=4 3083 B9R0.46 CNC(=O)CCNCCO 2230a_100000738227_100000211926 [0,1,0,0,0,0|3,0,0]=4 3084 B9R0.46 CNC(=O)CCNCCO 2230a_100016997473_100000737683 [0,1,0,0,0,0|3,0,0]=4 3085 B9R0.46 CNC(=O)CCNCCO 34a_100000738227_100000211926 [0,1,0,0,0,0|3,0,0]=4 3086 B9R0.46 CNC(=O)CCNCCO 34a_100016990907_100012179268 [0,1,0,0,0,0|3,0,0]=4 3087 B9R0.46 CNC(=O)CCNCOC 2230a_100000738227_100000766300 [0,1,0,0,0,0|3,0,0]=4 3088 B9R0.46 CNC(=O)CCNCSC 2230a_100000738227_100011218213 [0,1,0,0,0,0|3,0,0]=4 3089 B9R0.46 CNC(=O)CCNCSC 34a_100000738227_100011218213 [0,1,0,0,0,0|3,0,0]=4 3090 B9R0.46 CNC(=O)CCOCCBr 34a_100000211926_100012179268 [0,1,0,0,0,0|3,0,0]=4 3091 B9R0.46 CNC(=O)CCOCCF 34a_100000754576_100011217306 [0,1,0,0,0,0|3,0,0]=4 3092 B9R0.46 CNC(=O)CCOCCN 34a_100000210304_100012179268 [0,1,0,0,0,0|3,0,0]=4 3093 B9R0.46 CNC(=O)CCOCCO 1626a_100102657272_100011229844 [0,1,0,0,0,0|3,0,0]=4 3094 B9R0.46 CNC(=O)CCOCCO 240690a_100102657272_100011229844 [0,1,0,0,0,0|3,0,0]=4 3095 B9R0.46 CNC(=O)CCOCCO 34a_100000754576_100000211926 [0,1,0,0,0,0|3,0,0]=4 3096 B9R0.46 CNC(=O)CCOCSC 34a_100000754576_100011218213 [0,1,0,0,0,0|3,0,0]=4 3097 B9R0.46 CNC(=O)CCSCCF 62a_100000737683_100011217306 [0,1,0,0,0,0|3,0,0]=4 3098 B9R0.46 CNC(=O)CCSCCF 62a_100011217306_100000737683 [0,1,0,0,0,0|3,0,0]=4 3099 B9R0.46 CNC(=O)CCSCCO 62a_100000211926_100000737683 [0,1,0,0,0,0|3,0,0]=4 3100 B9R0.46 CNC(=O)CCSCCO 62a_100000737683_100000211926 [0,1,0,0,0,0|3,0,0]=4 3101 B9R0.46 CNC(=O)CCSCOC 62a_100000737683_100000766300 [0,1,0,0,0,0|3,0,0]=4 3102 B9R0.46 CNC(=O)CCSCOC 62a_100000766300_100000737683 [0,1,0,0,0,0|3,0,0]=4 3103 B9R0.46 CNC(=O)CCSCSC 62a_100000737683_100011218213 [0,1,0,0,0,0|3,0,0]=4 3104 B9R0.46 CNC(=O)CCSCSC 62a_100011218213_100000737683 [0,1,0,0,0,0|3,0,0]=4 3105 B9R0.46 CNC(=O)CNCCCF 2230a_100000693194_100011934791 [0,1,0,0,0,0|3,0,0]=4 3106 B9R0.46 CNC(=O)CNCCCF 2230a_100015189416_100000183359 [0,1,0,0,0,0|3,0,0]=4 3107 B9R0.46 CNC(=O)CNCCCF 34a_100015189416_100000183359 [0,1,0,0,0,0|3,0,0]=4 3108 B9R0.46 CNC(=O)CNCCCO 2230a_100000693194_100000230001 [0,1,0,0,0,0|3,0,0]=4 3109 B9R0.46 CNC(=O)CNCCOC 2230a_100000209980_100000183359 [0,1,0,0,0,0|3,0,0]=4 3110 B9R0.46 CNC(=O)CNCCOC 2230a_100000693194_100011201679 [0,1,0,0,0,0|3,0,0]=4 3111 B9R0.46 CNC(=O)CNCCSC 2230a_100000693194_100000751147 [0,1,0,0,0,0|3,0,0]=4 3112 B9R0.46 CNC(=O)CNCCSC 2230a_100020590264_100000183359 [0,1,0,0,0,0|3,0,0]=4 3113 B9R0.46 CNC(=O)COCCCBr 34a_100011217188_100000183359 [0,1,0,0,0,0|3,0,0]=4 3114 B9R0.46 CNC(=O)COCCCCl 34a_100000230001_100000183359 [0,1,0,0,0,0|3,0,0]=4 3115 B9R0.46 CNC(=O)COCCCF 34a_100000750040_100011934791 [0,1,0,0,0,0|3,0,0]=4 3116 B9R0.46 CNC(=O)COCCCF 34a_100000759539_100000183359 [0,1,0,0,0,0|3,0,0]=4 3117 B9R0.46 CNC(=O)COCCCN 34a_100000182051_100000183359 [0,1,0,0,0,0|3,0,0]=4 3118 B9R0.46 CNC(=O)COCCCO 34a_100000750040_100000230001 [0,1,0,0,0,0|3,0,0]=4 3119 B9R0.46 CNC(=O)COCCOC 11a_106832991635_100000211095 [0,1,0,0,0,0|3,0,0]=4 3120 B9R0.46 CNC(=O)COCCOC 1626a_100102657272_100000211095 [0,1,0,0,0,0|3,0,0]=4 3121 B9R0.46 CNC(=O)COCCOC 240690a_100102657272_100000211095 [0,1,0,0,0,0|3,0,0]=4 3122 B9R0.46 CNC(=O)COCCOC 34a_100000210237_100000183359 [0,1,0,0,0,0|3,0,0]=4 3123 B9R0.46 CNC(=O)COCCOC 34a_100000750040_100011201679 [0,1,0,0,0,0|3,0,0]=4 3124 B9R0.46 CNC(=O)COCCOC 527a_100102657272_100000211095 [0,1,0,0,0,0|3,0,0]=4 3125 B9R0.46 CNC(=O)COCCSC 34a_100000230434_100000183359 [0,1,0,0,0,0|3,0,0]=4 3126 B9R0.46 CNC(=O)COCCSC 34a_100000750040_100000212216 [0,1,0,0,0,0|3,0,0]=4 3127 B9R0.46 CNC(=O)COCCSC 7a_100000230434_100000183359 [0,1,0,0,0,0|3,0,0]=4 3128 B9R0.46 CNC(=O)CSCCCF 62a_100000183359_100011934791 [0,1,0,0,0,0|3,0,0]=4 3129 B9R0.46 CNC(=O)CSCCCF 62a_100011934791_100000183359 [0,1,0,0,0,0|3,0,0]=4 3130 B9R0.46 CNC(=O)CSCCCO 62a_100000183359_100011215043 [0,1,0,0,0,0|3,0,0]=4 3131 B9R0.46 CNC(=O)CSCCCO 62a_100011215043_100000183359 [0,1,0,0,0,0|3,0,0]=4 3132 B9R0.46 CNC(=O)CSCCOC 62a_100000183359_100000233755 [0,1,0,0,0,0|3,0,0]=4 3133 B9R0.46 CNC(=O)CSCCOC 62a_100000233755_100000183359 [0,1,0,0,0,0|3,0,0]=4 3134 B9R0.46 CNC(=O)CSCCSC 62a_100000183359_100000751147 [0,1,0,0,0,0|3,0,0]=4 3135 B9R0.46 CNC(=O)CSCCSC 62a_100000212216_100000183359 [0,1,0,0,0,0|3,0,0]=4 3136 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,1,0,0,0,0|3,0,0]=4 3137 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,1,0,0,0,0|3,0,0]=4 3138 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,1,0,0,0,0|3,0,0]=4 3139 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,1,0,0,0,0|3,0,0]=4 3140 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,1,0,0,0,0|3,0,0]=4 3141 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,1,0,0,0,0|3,0,0]=4 3142 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,1,0,0,0,0|3,0,0]=4 3143 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,1,0,0,0,0|3,0,0]=4 3144 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,1,0,0,0,0|3,0,0]=4 3145 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,1,0,0,0,0|3,0,0]=4 3146 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,1,0,0,0,0|3,0,0]=4 3147 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,1,0,0,0,0|3,0,0]=4 3148 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,1,0,0,0,0|3,0,0]=4 3149 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,1,0,0,0,0|3,0,0]=4 3150 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,1,0,0,0,0|3,0,0]=4 3151 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,1,0,0,0,0|3,0,0]=4 3152 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,1,0,0,0,0|3,0,0]=4 3153 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,0,0,0,0|1,0,0]=2 3154 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,0,0,0,0|1,0,0]=2 3155 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,0,0,0,0|1,0,0]=2 3156 B9R0.46 CNCCOCC(=O)OC 2230a_106832991635_100000090808 [0,1,0,0,0,0|2,0,0]=3 3157 B9R0.46 CNCCOCC(=O)OC 34a_100102657272_100000090808 [0,1,0,0,0,0|2,0,0]=3 3158 B9R0.46 CNCCOCC(=O)OC 7a_106832991635_100000090808 [0,1,0,0,0,0|2,0,0]=3 3159 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,0,0,0,0|1,0,0]=2 3160 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,0,0,0,0|1,0,0]=2 3161 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,0,0,0,0|1,0,0]=2 3162 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,0,0,0,0|1,0,0]=2 3163 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,0,0,0,0|1,0,0]=2 3164 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,0,0,0,0|1,0,0]=2 3165 B9R0.46 COC(=O)CCCSCF 62a_100011218270_100015361967 [0,1,0,0,0,0|2,0,0]=3 3166 B9R0.46 COC(=O)CCCSCF 62a_100015361967_100011218270 [0,1,0,0,0,0|2,0,0]=3 3167 B9R0.46 COC(=O)CCNCCF 34a_100000724931_100000742370 [0,1,0,0,0,0|2,0,0]=3 3168 B9R0.46 COC(=O)CCNCCO 2230a_100016997473_100000204255 [0,1,0,0,0,0|2,0,0]=3 3169 B9R0.46 COC(=O)CCNCCO 34a_100016990907_100000742370 [0,1,0,0,0,0|2,0,0]=3 3170 B9R0.46 COC(=O)CCOCCBr 34a_100000211926_100000742370 [0,1,0,0,0,0|2,0,0]=3 3171 B9R0.46 COC(=O)CCOCCN 34a_100000210304_100000742370 [0,1,0,0,0,0|2,0,0]=3 3172 B9R0.46 COC(=O)CCSCC#N 62a_100000204255_100011215382 [0,1,0,0,0,0|2,0,1]=4 3173 B9R0.46 COC(=O)CCSCC#N 62a_100011215382_100000204255 [0,1,0,0,0,0|2,0,1]=4 3174 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [0,1,0,0,0,0|2,0,1]=4 3175 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [0,1,0,0,0,0|2,0,1]=4 3176 B9R0.46 COC(=O)CCSCCF 62a_100000204255_100011217306 [0,1,0,0,0,0|2,0,0]=3 3177 B9R0.46 COC(=O)CCSCCF 62a_100011217306_100000204255 [0,1,0,0,0,0|2,0,0]=3 3178 B9R0.46 COC(=O)CCSCCO 62a_100000204255_100000211926 [0,1,0,0,0,0|2,0,0]=3 3179 B9R0.46 COC(=O)CCSCCO 62a_100000211926_100000204255 [0,1,0,0,0,0|2,0,0]=3 3180 B9R0.46 COC(=O)CCSCSC 62a_100000204255_100011218213 [0,1,0,0,0,0|2,0,0]=3 3181 B9R0.46 COC(=O)CCSCSC 62a_100011218213_100000204255 [0,1,0,0,0,0|2,0,0]=3 3182 B9R0.46 COC(=O)CNCCCF 2230a_100015189416_100000747449 [0,1,0,0,0,0|2,0,0]=3 3183 B9R0.46 COC(=O)CNCCCF 34a_100015189416_100000747449 [0,1,0,0,0,0|2,0,0]=3 3184 B9R0.46 COC(=O)CNCCSC 2230a_100020590264_100000747449 [0,1,0,0,0,0|2,0,0]=3 3185 B9R0.46 COC(=O)COCCCBr 34a_100011217188_100000747449 [0,1,0,0,0,0|2,0,0]=3 3186 B9R0.46 COC(=O)COCCCCl 34a_100000230001_100000747449 [0,1,0,0,0,0|2,0,0]=3 3187 B9R0.46 COC(=O)COCCCF 34a_100000759539_100000747449 [0,1,0,0,0,0|2,0,0]=3 3188 B9R0.46 COC(=O)COCCCN 34a_100000182051_100000747449 [0,1,0,0,0,0|2,0,0]=3 3189 B9R0.46 COC(=O)COCCON 34a_100000700252_100000747449 [0,1,0,0,0,0|3,0,0]=4 3190 B9R0.46 COC(=O)COCCSC 34a_100000230434_100000747449 [0,1,0,0,0,0|2,0,0]=3 3191 B9R0.46 COC(=O)COCCSC 62a_100000090808_200000210301 [0,1,0,0,0,0|2,0,0]=3 3192 B9R0.46 COC(=O)COCCSC 62a_200000210301_100000090808 [0,1,0,0,0,0|2,0,0]=3 3193 B9R0.46 COC(=O)COCCSC 7a_100000230434_100000747449 [0,1,0,0,0,0|2,0,0]=3 3194 B9R0.46 COC(=O)COCCS[13CH3] 62a_100000090808_200025704644 [0,1,0,0,0,0|2,0,0]=3 3195 B9R0.46 COC(=O)COCCS[13CH3] 62a_200025704644_100000090808 [0,1,0,0,0,0|2,0,0]=3 3196 B9R0.46 COC(=O)CSCCC#N 62a_100000747449_100011215226 [0,1,0,0,0,0|2,0,1]=4 3197 B9R0.46 COC(=O)CSCCC#N 62a_100011215226_100000747449 [0,1,0,0,0,0|2,0,1]=4 3198 B9R0.46 COC(=O)CSCCCF 62a_100000747449_100011934791 [0,1,0,0,0,0|2,0,0]=3 3199 B9R0.46 COC(=O)CSCCCF 62a_100011934791_100000747449 [0,1,0,0,0,0|2,0,0]=3 3200 B9R0.46 COC(=O)CSCCCO 62a_100000747449_100011215043 [0,1,0,0,0,0|2,0,0]=3 3201 B9R0.46 COC(=O)CSCCCO 62a_100011215043_100000747449 [0,1,0,0,0,0|2,0,0]=3 3202 B9R0.46 COC(=O)CSCCSC 62a_100000212216_100000747449 [0,1,0,0,0,0|2,0,0]=3 3203 B9R0.46 COC(=O)CSCCSC 62a_100000747449_100000751147 [0,1,0,0,0,0|2,0,0]=3 3204 B9R0.46 COC(=O)NCCOCF 34a_100000757965_100015361967 [0,1,0,0,0,0|3,0,0]=4 3205 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,1,0,0,0,0|3,0,0]=4 3206 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,1,0,0,0,0|3,0,0]=4 3207 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,1,0,0,0,0|3,0,0]=4 3208 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [0,1,0,0,0,0|3,0,0]=4 3209 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,0,0,0,0|1,0,0]=2 3210 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,0,0,0,0|1,0,0]=2 3211 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,0,0,0,0|1,0,0]=2 3212 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,0,0,0,0|1,0,0]=2 3213 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,1,0,0,0,0|2,0,0]=3 3214 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,1,0,0,0,0|2,0,0]=3 3215 B9R0.46 COCCNCC(=O)OC 2230a_100000209980_100000747449 [0,1,0,0,0,0|2,0,0]=3 3216 B9R0.46 COCCNNC(=O)CO 22a_100000741390_100000210174 [0,1,0,0,0,0|3,0,0]=4 3217 B9R0.46 COCCOCC(=O)CF 1458a_100000211095_100015361967 [0,1,0,0,0,0|3,0,0]=4 3218 B9R0.46 COCCOCC(=O)OC 34a_100000210237_100000747449 [0,1,0,0,0,0|2,0,0]=3 3219 B9R0.46 COCCOCC(=O)OC 34a_100138415774_100000090808 [0,1,0,0,0,0|2,0,0]=3 3220 B9R0.46 COCCSCC(=O)OC 62a_100000233755_100000747449 [0,1,0,0,0,0|2,0,0]=3 3221 B9R0.46 COCCSCC(=O)OC 62a_100000747449_100000233755 [0,1,0,0,0,0|2,0,0]=3 3222 B9R0.46 COCSCCC(=O)OC 62a_100000204255_100000766300 [0,1,0,0,0,0|2,0,0]=3 3223 B9R0.46 COCSCCC(=O)OC 62a_100000766300_100000204255 [0,1,0,0,0,0|2,0,0]=3 3224 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,1,0,0,0,0|3,0,0]=4 3225 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,1,0,0,0,0|2,0,0]=3 3226 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,1,0,0,0,0|2,0,0]=3 3227 B9R0.46 CSCOCCC(=NO)N 34a_100000749954_100011218213 [0,1,0,0,0,0|3,0,0]=4 3228 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,1,0,0,0,0|1,0,1]=3 3229 B9R0.46 N#CCOCCC(=O)CO 1458a_100000210174_200000047693 [0,1,0,0,0,0|2,0,1]=4 3230 B9R0.46 NC(=NO)CCOCCF 34a_100000749954_100011217306 [0,1,0,0,0,0|3,0,0]=4 3231 B9R0.46 NC(=NO)CCOCCO 34a_100000749954_100000211926 [0,1,0,0,0,0|3,0,0]=4 3232 B9R0.46 NNC(=O)CCCOCF 34a_100000211488_100015361967 [0,1,0,0,0,0|3,0,0]=4 3233 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,1,0,0,0,0|2,0,0]=3 3234 B9R0.46 O=C(CF)CCOCCO 1458a_100011229844_100015361967 [0,1,0,0,0,0|3,0,0]=4 3235 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,0,0,0,0|1,0,0]=2 3236 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,0,0,0,0|1,0,0]=2 3237 B9R0.46 O=C(CO)CCOCCO 1458a_100000210174_100011215305 [0,1,0,0,0,0|2,0,0]=3 3238 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,1,0,0,0,0|2,0,0]=3 3239 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,1,0,0,0,0|2,0,0]=3 3240 B9R0.47 C#CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000688953 [0,1,0,0,0,0|1,0,2]=4 3241 B9R0.47 C#CCNCC(C)C(=O)O 269956a_100000749485_100000184674 [0,1,0,0,0,0|1,0,2]=4 3242 B9R0.47 C#CCNCC(F)C(=O)O 269956a_100000084737_100000184674 [0,1,0,0,0,0|1,0,2]=4 3243 B9R0.47 C/C=C/CN[C@@H](C)C(=O)O 269956a_100000743915_100102629194 [0,1,0,0,0,0|1,0,2]=4 3244 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,0,0,0,0|2,0,1]=4 3245 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [0,1,0,0,0,0|3,0,0]=4 3246 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,1,0,0,0,0|1,0,2]=4 3247 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,1,0,0,0,0|1,0,2]=4 3248 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,1,0,0,0,0|1,0,2]=4 3249 B9R0.47 CC#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000748600 [0,1,0,0,0,0|1,0,2]=4 3250 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,1,0,0,0,0|3,0,0]=4 3251 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,1,0,0,0,0|3,0,0]=4 3252 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,1,0,0,0,0|3,0,0]=4 3253 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,1,0,0,0,0|3,0,0]=4 3254 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,1,0,0,0,0|3,0,0]=4 3255 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,1,0,0,0,0|3,0,0]=4 3256 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,1,0,0,0,0|3,0,0]=4 3257 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,1,0,0,0,0|3,0,0]=4 3258 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,1,0,0,0,0|3,0,0]=4 3259 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,1,0,0,0,0|3,0,0]=4 3260 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,1,0,0,0,0|3,0,0]=4 3261 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,1,0,0,0,0|3,0,0]=4 3262 B9R0.47 CC(CNCC#N)C(=O)O 269956a_100000749485_100011215382 [0,1,0,0,0,0|2,0,1]=4 3263 B9R0.47 CC(CNCC=O)C(=O)O 269956a_100000749485_200015260668 [0,1,0,0,0,0|2,0,1]=4 3264 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,1,0,0,0,0|2,0,0]=3 3265 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,1,0,0,0,0|2,0,0]=3 3266 B9R0.47 CC(NCCCF)C(=O)N 2230a_100015189416_100000702099 [0,1,0,0,0,0|3,0,0]=4 3267 B9R0.47 CC(NCCCF)C(=O)N 34a_100015189416_100000702099 [0,1,0,0,0,0|3,0,0]=4 3268 B9R0.47 CC(OCCCBr)C(=O)N 34a_100011217188_100000702099 [0,1,0,0,0,0|3,0,0]=4 3269 B9R0.47 CC(OCCCCl)C(=O)N 34a_100000230001_100000702099 [0,1,0,0,0,0|3,0,0]=4 3270 B9R0.47 CC(OCCCF)C(=O)N 34a_100000759539_100000702099 [0,1,0,0,0,0|3,0,0]=4 3271 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [0,1,0,0,0,0|3,0,0]=4 3272 B9R0.47 CC(SCCCF)C(=O)N 62a_100000702099_100011934791 [0,1,0,0,0,0|3,0,0]=4 3273 B9R0.47 CC(SCCCF)C(=O)N 62a_100011934791_100000702099 [0,1,0,0,0,0|3,0,0]=4 3274 B9R0.47 CC(SCCCO)C(=O)N 62a_100000702099_100011215043 [0,1,0,0,0,0|3,0,0]=4 3275 B9R0.47 CC(SCCCO)C(=O)N 62a_100011215043_100000702099 [0,1,0,0,0,0|3,0,0]=4 3276 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,1,0,0,0,0|0,0,3]=4 3277 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,0,0,0,0|1,0,2]=4 3278 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,0,0,0,0|1,0,2]=4 3279 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,0,0,0,0|1,0,0]=2 3280 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,0,0,0,0|1,0,0]=2 3281 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,0,0,0,0|1,0,0]=2 3282 B9R0.47 CCCCCC(C)N(C)C 2230a_100102631434_200011218191 [0,1,0,0,0,0|3,0,0]=4 3283 B9R0.47 CCCCCC(C)N(C)C 269982a_100102631434_200011218191 [0,1,0,0,0,0|3,0,0]=4 3284 B9R0.47 CCCCCC(C)N(C)C 270004a_100102631434_100000211708 [0,1,0,0,0,0|3,0,0]=4 3285 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,1,0,0,0,0|2,0,0]=3 3286 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,1,0,0,0,0|2,0,0]=3 3287 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,1,0,0,0,0|2,0,0]=3 3288 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,1,0,0,0,0|2,0,0]=3 3289 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,1,0,0,0,0|2,0,1]=4 3290 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,1,0,0,0,0|2,0,0]=3 3291 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,1,0,0,0,0|2,0,0]=3 3292 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,1,0,0,0,0|2,0,0]=3 3293 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,1,0,0,0,0|2,0,0]=3 3294 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,1,0,0,0,0|2,0,0]=3 3295 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,1,0,0,0,0|2,0,0]=3 3296 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,1,0,0,0,0|1,0,0]=2 3297 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,1,0,0,0,0|2,0,0]=3 3298 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,1,0,0,0,0|2,0,0]=3 3299 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,1,0,0,0,0|2,0,0]=3 3300 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,1,0,0,0,0|2,0,0]=3 3301 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,1,0,0,0,0|2,0,0]=3 3302 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,1,0,0,0,0|2,0,0]=3 3303 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,1,0,0,0,0|2,0,0]=3 3304 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,1,0,0,0,0|2,0,0]=3 3305 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,1,0,0,0,0|1,0,1]=3 3306 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,1,0,0,0,0|1,0,1]=3 3307 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,1,0,0,0,0|2,0,0]=3 3308 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,1,0,0,0,0|2,0,0]=3 3309 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,1,0,0,0,0|2,0,0]=3 3310 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,1,0,0,0,0|2,0,0]=3 3311 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,1,0,0,0,0|2,0,0]=3 3312 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,1,0,0,0,0|2,0,0]=3 3313 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,1,0,0,0,0|2,0,0]=3 3314 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,1,0,0,0,0|2,0,0]=3 3315 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,1,0,0,0,0|2,0,0]=3 3316 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,1,0,0,0,0|2,0,0]=3 3317 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,1,0,0,0,0|1,0,1]=3 3318 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,1,0,0,0,0|1,0,1]=3 3319 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,1,0,0,0,0|1,0,0]=2 3320 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,1,0,0,0,0|1,0,0]=2 3321 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,1,0,0,0,0|2,0,1]=4 3322 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,0,0,0,0|2,0,0]=3 3323 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,0,0,0,0|2,0,0]=3 3324 B9R0.47 CCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210303 [0,1,0,0,0,0|2,0,1]=4 3325 B9R0.47 CCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210303 [0,1,0,0,0,0|2,0,1]=4 3326 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,1,0,0,0,0|2,0,0]=3 3327 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,1,0,0,0,0|2,0,1]=4 3328 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,1,0,0,0,0|2,0,1]=4 3329 B9R0.47 CCOCN[C@@H](C)C(=O)O 269956a_100000743915_100000739092 [0,1,0,0,0,0|2,0,0]=3 3330 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [0,1,0,0,0,0|3,0,0]=4 3331 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [0,1,0,0,0,0|3,0,0]=4 3332 B9R0.47 CCOCSC(C)C(=O)N 62a_100000702099_100000739092 [0,1,0,0,0,0|3,0,0]=4 3333 B9R0.47 CCOCSC(C)C(=O)N 62a_100000739092_100000702099 [0,1,0,0,0,0|3,0,0]=4 3334 B9R0.47 CCOCSC(F)C(=O)N 62a_100000739092_100009813875 [0,1,0,0,0,0|3,0,0]=4 3335 B9R0.47 CCOCSC(F)C(=O)N 62a_100009813875_100000739092 [0,1,0,0,0,0|3,0,0]=4 3336 B9R0.47 CCOCSC(F)C(=O)[O-] 62a_100000739092_100020610796 [0,1,0,0,0,0|2,0,1]=4 3337 B9R0.47 CCOCSC(F)C(=O)[O-] 62a_100020610796_100000739092 [0,1,0,0,0,0|2,0,1]=4 3338 B9R0.47 COCCCN(C)C(=O)C 11a_100000224831_100015343762 [0,1,0,0,0,0|3,0,0]=4 3339 B9R0.47 COCCCN(C)C(=O)C 1626a_100000224831_100015343762 [0,1,0,0,0,0|3,0,0]=4 3340 B9R0.47 COCCCN(C)C(=O)C 240690a_100000224831_100015343762 [0,1,0,0,0,0|3,0,0]=4 3341 B9R0.47 COCCCN(C)C(=O)C 527a_100000224831_100103153847 [0,1,0,0,0,0|3,0,0]=4 3342 B9R0.47 COCCNC(C)C(=O)C 2230a_100000209980_100009814033 [0,1,0,0,0,0|3,0,0]=4 3343 B9R0.47 COCCNC(C)C(=O)N 2230a_100000209980_100000702099 [0,1,0,0,0,0|3,0,0]=4 3344 B9R0.47 COCCNC(F)C(=O)N 2230a_100000209980_100009813875 [0,1,0,0,0,0|3,0,0]=4 3345 B9R0.47 COCCN[C@@H](C)C(=O)O 269956a_100000743915_100000233755 [0,1,0,0,0,0|2,0,0]=3 3346 B9R0.47 COCCN[C@H](C)C(=O)N 2230a_100000119354_100011201679 [0,1,0,0,0,0|3,0,0]=4 3347 B9R0.47 COCCN[C@H](C)C(=O)N 34a_100000119354_100011201679 [0,1,0,0,0,0|3,0,0]=4 3348 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [0,1,0,0,0,0|3,0,0]=4 3349 B9R0.47 COCCOC(C)C(=O)N 34a_100000210237_100000702099 [0,1,0,0,0,0|3,0,0]=4 3350 B9R0.47 COCCOC(F)C(=O)N 34a_100000210237_100009813875 [0,1,0,0,0,0|3,0,0]=4 3351 B9R0.47 COCCOC(F)C(=O)[O-] 34a_100000210237_100020610796 [0,1,0,0,0,0|2,0,1]=4 3352 B9R0.47 COCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000233755 [0,1,0,0,0,0|2,0,1]=4 3353 B9R0.47 COCCO[C@H](C)C(=O)N 34a_100000731257_100011201679 [0,1,0,0,0,0|3,0,0]=4 3354 B9R0.47 COCCO[C@H](C)C(=O)N 7a_100000731257_100000233755 [0,1,0,0,0,0|3,0,0]=4 3355 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [0,1,0,0,0,0|3,0,0]=4 3356 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [0,1,0,0,0,0|3,0,0]=4 3357 B9R0.47 COCCSC(C)C(=O)N 62a_100000233755_100000702099 [0,1,0,0,0,0|3,0,0]=4 3358 B9R0.47 COCCSC(C)C(=O)N 62a_100000702099_100000233755 [0,1,0,0,0,0|3,0,0]=4 3359 B9R0.47 COCCSC(F)C(=O)N 62a_100000233755_100009813875 [0,1,0,0,0,0|3,0,0]=4 3360 B9R0.47 COCCSC(F)C(=O)N 62a_100009813875_100000233755 [0,1,0,0,0,0|3,0,0]=4 3361 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100000233755_100020610796 [0,1,0,0,0,0|2,0,1]=4 3362 B9R0.47 COCCSC(F)C(=O)[O-] 62a_100020610796_100000233755 [0,1,0,0,0,0|2,0,1]=4 3363 B9R0.47 COCNCC(C)C(=O)O 269956a_100000749485_100000766300 [0,1,0,0,0,0|2,0,0]=3 3364 B9R0.47 COCNCC(F)C(=O)O 269956a_100000084737_100000766300 [0,1,0,0,0,0|2,0,0]=3 3365 B9R0.47 CSCCNC(C)C(=O)C 2230a_100020590264_100009814033 [0,1,0,0,0,0|3,0,0]=4 3366 B9R0.47 CSCCNC(C)C(=O)N 2230a_100020590264_100000702099 [0,1,0,0,0,0|3,0,0]=4 3367 B9R0.47 CSCCNC(F)C(=O)N 2230a_100020590264_100009813875 [0,1,0,0,0,0|3,0,0]=4 3368 B9R0.47 CSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000212216 [0,1,0,0,0,0|2,0,0]=3 3369 B9R0.47 CSCCN[C@H](C)C(=O)N 2230a_100000119354_100000751147 [0,1,0,0,0,0|3,0,0]=4 3370 B9R0.47 CSCCN[C@H](C)C(=O)N 34a_100000119354_100000212216 [0,1,0,0,0,0|3,0,0]=4 3371 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [0,1,0,0,0,0|3,0,0]=4 3372 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [0,1,0,0,0,0|3,0,0]=4 3373 B9R0.47 CSCCOC(C)C(=O)N 34a_100000230434_100000702099 [0,1,0,0,0,0|3,0,0]=4 3374 B9R0.47 CSCCOC(C)C(=O)N 7a_100000230434_100000702099 [0,1,0,0,0,0|3,0,0]=4 3375 B9R0.47 CSCCOC(F)C(=O)N 34a_100000230434_100009813875 [0,1,0,0,0,0|3,0,0]=4 3376 B9R0.47 CSCCOC(F)C(=O)N 7a_100000230434_100009813875 [0,1,0,0,0,0|3,0,0]=4 3377 B9R0.47 CSCCOC(F)C(=O)[O-] 34a_100000230434_100020610796 [0,1,0,0,0,0|2,0,1]=4 3378 B9R0.47 CSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000212216 [0,1,0,0,0,0|2,0,1]=4 3379 B9R0.47 CSCCO[C@H](C)C(=O)N 34a_100000731257_100000212216 [0,1,0,0,0,0|3,0,0]=4 3380 B9R0.47 CSCCO[C@H](C)C(=O)N 7a_100000731257_100000212216 [0,1,0,0,0,0|3,0,0]=4 3381 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [0,1,0,0,0,0|3,0,0]=4 3382 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [0,1,0,0,0,0|3,0,0]=4 3383 B9R0.47 CSCCSC(C)C(=O)N 62a_100000212216_100000702099 [0,1,0,0,0,0|3,0,0]=4 3384 B9R0.47 CSCCSC(C)C(=O)N 62a_100000702099_100000751147 [0,1,0,0,0,0|3,0,0]=4 3385 B9R0.47 CSCCSC(F)C(=O)N 62a_100000212216_100009813875 [0,1,0,0,0,0|3,0,0]=4 3386 B9R0.47 CSCCSC(F)C(=O)N 62a_100009813875_100000751147 [0,1,0,0,0,0|3,0,0]=4 3387 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100000212216_100020610796 [0,1,0,0,0,0|2,0,1]=4 3388 B9R0.47 CSCCSC(F)C(=O)[O-] 62a_100020610796_100000751147 [0,1,0,0,0,0|2,0,1]=4 3389 B9R0.47 CSCNCC(C)C(=O)O 269956a_100000749485_100011218213 [0,1,0,0,0,0|2,0,0]=3 3390 B9R0.47 CSCNCC(F)C(=O)O 269956a_100000084737_100011218213 [0,1,0,0,0,0|2,0,0]=3 3391 B9R0.47 CSCOCC(C)C(=O)C 34a_100000032740_100011218213 [0,1,0,0,0,0|3,0,0]=4 3392 B9R0.47 CSCOC[C@H](N)C(=O)N 34a_100000729942_100011218213 [0,1,0,0,0,0|3,0,0]=4 3393 B9R0.47 C[C@@H](NCCCF)C(=O)N 2230a_100000119354_100011934791 [0,1,0,0,0,0|3,0,0]=4 3394 B9R0.47 C[C@@H](NCCCF)C(=O)N 34a_100000119354_100011934791 [0,1,0,0,0,0|3,0,0]=4 3395 B9R0.47 C[C@@H](NCCCO)C(=O)N 2230a_100000119354_100000230001 [0,1,0,0,0,0|3,0,0]=4 3396 B9R0.47 C[C@@H](NCCCO)C(=O)N 34a_100000119354_100000230001 [0,1,0,0,0,0|3,0,0]=4 3397 B9R0.47 C[C@@H](OCCCF)C(=O)N 34a_100000731257_100011934791 [0,1,0,0,0,0|3,0,0]=4 3398 B9R0.47 C[C@@H](OCCCF)C(=O)N 7a_100000731257_100011934791 [0,1,0,0,0,0|3,0,0]=4 3399 B9R0.47 C[C@@H](OCCCO)C(=O)N 34a_100000731257_100000230001 [0,1,0,0,0,0|3,0,0]=4 3400 B9R0.47 C[C@@H](OCCCO)C(=O)N 7a_100000731257_100011215043 [0,1,0,0,0,0|3,0,0]=4 3401 B9R0.47 C[C@H](NCCC#N)C(=O)O 269956a_100000743915_100011215226 [0,1,0,0,0,0|2,0,1]=4 3402 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,1,0,0,0,0|2,0,0]=3 3403 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,1,0,0,0,0|2,0,0]=3 3404 B9R0.47 C[C@H](OCCCF)C(=O)[O-] 7a_217856618621_100011934791 [0,1,0,0,0,0|2,0,1]=4 3405 B9R0.47 C[C@H](OCCCO)C(=O)[O-] 7a_217856618621_100011215043 [0,1,0,0,0,0|2,0,1]=4 3406 B9R0.47 N#CCNCC(F)C(=O)O 269956a_100000084737_100011215382 [0,1,0,0,0,0|2,0,1]=4 3407 B9R0.47 NC(=O)C(F)NCCCF 2230a_100015189416_100009813875 [0,1,0,0,0,0|3,0,0]=4 3408 B9R0.47 NC(=O)C(F)NCCCF 34a_100015189416_100009813875 [0,1,0,0,0,0|3,0,0]=4 3409 B9R0.47 NC(=O)C(F)OCCCBr 34a_100011217188_100009813875 [0,1,0,0,0,0|3,0,0]=4 3410 B9R0.47 NC(=O)C(F)OCCCCl 34a_100000230001_100009813875 [0,1,0,0,0,0|3,0,0]=4 3411 B9R0.47 NC(=O)C(F)OCCCF 34a_100000759539_100009813875 [0,1,0,0,0,0|3,0,0]=4 3412 B9R0.47 NC(=O)C(F)SCCCF 62a_100009813875_100011934791 [0,1,0,0,0,0|3,0,0]=4 3413 B9R0.47 NC(=O)C(F)SCCCF 62a_100011934791_100009813875 [0,1,0,0,0,0|3,0,0]=4 3414 B9R0.47 NC(=O)C(F)SCCCO 62a_100009813875_100011215043 [0,1,0,0,0,0|3,0,0]=4 3415 B9R0.47 NC(=O)C(F)SCCCO 62a_100011215043_100009813875 [0,1,0,0,0,0|3,0,0]=4 3416 B9R0.47 NC(=O)[C@@H](N)COCCF 34a_100000729942_100011217306 [0,1,0,0,0,0|3,0,0]=4 3417 B9R0.47 NC(=O)[C@@H](N)COCCO 34a_100000729942_100000211926 [0,1,0,0,0,0|3,0,0]=4 3418 B9R0.47 NCCCOC(F)C(=O)N 34a_100000182051_100009813875 [0,1,0,0,0,0|3,0,0]=4 3419 B9R0.47 NCCCOC(F)C(=O)[O-] 34a_100000182051_100020610796 [0,1,0,0,0,0|2,0,1]=4 3420 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,1,0,0,0,0|2,0,0]=3 3421 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,1,0,0,0,0|2,0,0]=3 3422 B9R0.47 O=C([O-])C(F)NCCCF 34a_100015189416_100020610796 [0,1,0,0,0,0|2,0,1]=4 3423 B9R0.47 O=C([O-])C(F)OCCCBr 34a_100011217188_100020610796 [0,1,0,0,0,0|2,0,1]=4 3424 B9R0.47 O=C([O-])C(F)OCCCCl 34a_100000230001_100020610796 [0,1,0,0,0,0|2,0,1]=4 3425 B9R0.47 O=C([O-])C(F)OCCCF 34a_100000759539_100020610796 [0,1,0,0,0,0|2,0,1]=4 3426 B9R0.47 O=C([O-])C(F)SCCCF 62a_100011934791_100020610796 [0,1,0,0,0,0|2,0,1]=4 3427 B9R0.47 O=C([O-])C(F)SCCCF 62a_100020610796_100011934791 [0,1,0,0,0,0|2,0,1]=4 3428 B9R0.47 O=C([O-])C(F)SCCCO 62a_100011215043_100020610796 [0,1,0,0,0,0|2,0,1]=4 3429 B9R0.47 O=C([O-])C(F)SCCCO 62a_100020610796_100011215043 [0,1,0,0,0,0|2,0,1]=4 3430 B9R0.47 O=CCNCC(F)C(=O)O 269956a_100000084737_200015260668 [0,1,0,0,0,0|2,0,1]=4 3431 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,1,0,0,0,0|2,0,1]=4 3432 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,1,0,0,0,0|2,0,1]=4 3433 B9R0.48 C=C(C)CCC(C)NCC 270004a_100015525214_100011215600 [0,1,0,0,0,0|3,0,0]=4 3434 B9R0.48 C=C(C)CCN(C)CCC 2230a_100000747261_100000730704 [0,1,0,0,0,0|3,0,0]=4 3435 B9R0.48 C=C(C)CCN(C)CCC 269982a_100000747261_100000730704 [0,1,0,0,0,0|3,0,0]=4 3436 B9R0.48 C=C(C)CNC(C)CCC 2230a_100000741246_100000748629 [0,1,0,0,0,0|3,0,0]=4 3437 B9R0.48 C=C(C)COC(C)CCC 34a_100000210245_100000766640 [0,1,0,0,0,0|3,0,0]=4 3438 B9R0.48 C=C(C)COC(C)CCC 34a_100000764384_100000748629 [0,1,0,0,0,0|3,0,0]=4 3439 B9R0.48 C=C(C)COC(C)CCC 7a_100000764384_100000748629 [0,1,0,0,0,0|3,0,0]=4 3440 B9R0.48 C=C(C)CSC(C)CCC 62a_100000748629_100000766640 [0,1,0,0,0,0|3,0,0]=4 3441 B9R0.48 C=C(C)CSC(C)CCC 62a_100000766640_100000211660 [0,1,0,0,0,0|3,0,0]=4 3442 B9R0.48 C=C(F)CNC(C)CCC 2230a_100000741246_100009893438 [0,1,0,0,0,0|3,0,0]=4 3443 B9R0.48 C=C(F)COC(C)CCC 34a_100000764384_100009893438 [0,1,0,0,0,0|3,0,0]=4 3444 B9R0.48 C=C(F)COC(C)CCC 34a_200010262243_100000766640 [0,1,0,0,0,0|3,0,0]=4 3445 B9R0.48 C=C(F)COC(C)CCC 7a_100000764384_100000042424 [0,1,0,0,0,0|3,0,0]=4 3446 B9R0.48 C=C(F)CSC(C)CCC 62a_100000042424_100000766640 [0,1,0,0,0,0|3,0,0]=4 3447 B9R0.48 C=C(F)CSC(C)CCC 62a_100000766640_100000042424 [0,1,0,0,0,0|3,0,0]=4 3448 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,1,0,0,0,0|3,0,0]=4 3449 B9R0.48 CC(=O)COC(C)CCO 34a_100000211253_100009893172 [0,1,0,0,0,0|3,0,0]=4 3450 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [0,1,0,0,0,0|3,0,0]=4 3451 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [0,1,0,0,0,0|3,0,0]=4 3452 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200000116872_200025704644 [0,1,0,0,0,0|3,0,0]=4 3453 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200025704644_200000116872 [0,1,0,0,0,0|3,0,0]=4 3454 B9R0.48 CC(CC#N)NCC(=O)O 269956a_100016091260_100009813641 [0,1,0,0,0,0|2,0,1]=4 3455 B9R0.48 CC(CCBr)OCC(=O)N 34a_100012276601_100000187820 [0,1,0,0,0,0|3,0,0]=4 3456 B9R0.48 CC(CCBr)OCC(=O)[O-] 34a_100012276601_100020667443 [0,1,0,0,0,0|2,0,1]=4 3457 B9R0.48 CC(CCO)NCC(=O)N 2230a_100000711301_100009893172 [0,1,0,0,0,0|3,0,0]=4 3458 B9R0.48 CC(CCO)NCC(=O)O 269956a_100016091260_100009893172 [0,1,0,0,0,0|2,0,0]=3 3459 B9R0.48 CC(CCO)SCC(=O)N 62a_100000747473_100009893172 [0,1,0,0,0,0|3,0,0]=4 3460 B9R0.48 CC(CCO)SCC(=O)N 62a_100009893172_100000747473 [0,1,0,0,0,0|3,0,0]=4 3461 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100009893172_100020667443 [0,1,0,0,0,0|2,0,1]=4 3462 B9R0.48 CC(CCO)SCC(=O)[O-] 62a_100020667443_100009893172 [0,1,0,0,0,0|2,0,1]=4 3463 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,1,0,0,0,0|1,0,1]=3 3464 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,1,0,0,0,0|1,0,2]=4 3465 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,1,0,0,0,0|1,0,2]=4 3466 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,1,0,0,0,0|2,0,1]=4 3467 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,1,0,0,0,0|2,0,1]=4 3468 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,1,0,0,0,0|2,0,1]=4 3469 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,1,0,0,0,0|2,0,1]=4 3470 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,1,0,0,0,0|2,0,1]=4 3471 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,1,0,0,0,0|2,0,1]=4 3472 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,1,0,0,0,0|2,0,1]=4 3473 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,1,0,0,0,0|2,0,1]=4 3474 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000711301_100000766640 [0,1,0,0,0,0|2,0,0]=3 3475 B9R0.48 CCCC(C)NCC(=O)N 2230a_100000741246_100000747473 [0,1,0,0,0,0|2,0,0]=3 3476 B9R0.48 CCCC(C)NCC(=O)O 269956a_100016091260_100000766640 [0,1,0,0,0,0|1,0,0]=2 3477 B9R0.48 CCCC(C)NCC(C)O 2230a_100000210904_100000766640 [0,1,0,0,0,0|2,0,1]=4 3478 B9R0.48 CCCC(C)NCC(C)O 2230a_100000741246_100011218427 [0,1,0,0,0,0|2,0,1]=4 3479 B9R0.48 CCCC(C)NCC(C)O 270004a_100000210904_100000211909 [0,1,0,0,0,0|2,0,1]=4 3480 B9R0.48 CCCC(C)NCC(C)O 34a_100000210904_100000766640 [0,1,0,0,0,0|2,0,1]=4 3481 B9R0.48 CCCC(C)NC[C@@H](C)O 2230a_100000741246_100009817552 [0,1,0,0,0,0|2,0,1]=4 3482 B9R0.48 CCCC(C)OCC(=O)C 34a_100000211253_100000766640 [0,1,0,0,0,0|2,0,0]=3 3483 B9R0.48 CCCC(C)OCC(=O)N 34a_100000764384_100000187820 [0,1,0,0,0,0|2,0,0]=3 3484 B9R0.48 CCCC(C)OCC(=O)N 7a_100000764384_100000187820 [0,1,0,0,0,0|2,0,0]=3 3485 B9R0.48 CCCC(C)OCC(=O)[O-] 34a_100000764384_100020667443 [0,1,0,0,0,0|1,0,1]=3 3486 B9R0.48 CCCC(C)OCC(C)O 34a_100000764384_100011218427 [0,1,0,0,0,0|2,0,1]=4 3487 B9R0.48 CCCC(C)OCC(C)O 7a_100000764384_100011218427 [0,1,0,0,0,0|2,0,1]=4 3488 B9R0.48 CCCC(C)OC[C@@H](C)O 34a_100000764384_100009817552 [0,1,0,0,0,0|2,0,1]=4 3489 B9R0.48 CCCC(C)OC[C@@H](C)O 7a_100000764384_100009817552 [0,1,0,0,0,0|2,0,1]=4 3490 B9R0.48 CCCC(C)OC[N+](=O)[O-] 34a_100000764384_100000761209 [0,1,0,0,0,0|2,0,1]=4 3491 B9R0.48 CCCC(C)SCC(=O)N 62a_100000747473_100000766640 [0,1,0,0,0,0|2,0,0]=3 3492 B9R0.48 CCCC(C)SCC(=O)N 62a_100000766640_100000747473 [0,1,0,0,0,0|2,0,0]=3 3493 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100000766640_100020667443 [0,1,0,0,0,0|1,0,1]=3 3494 B9R0.48 CCCC(C)SCC(=O)[O-] 62a_100020667443_100000766640 [0,1,0,0,0,0|1,0,1]=3 3495 B9R0.48 CCCC(C)SCC(C)O 62a_100000766640_100011218427 [0,1,0,0,0,0|2,0,1]=4 3496 B9R0.48 CCCC(C)SCC(C)O 62a_100011218427_100000766640 [0,1,0,0,0,0|2,0,1]=4 3497 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100000766640_100009817552 [0,1,0,0,0,0|2,0,1]=4 3498 B9R0.48 CCCC(C)SC[C@@H](C)O 62a_100009817552_100000766640 [0,1,0,0,0,0|2,0,1]=4 3499 B9R0.48 CCCC(C)SC[N+](=O)[O-] 62a_100000766640_100000761209 [0,1,0,0,0,0|2,0,1]=4 3500 B9R0.48 CCCN(C)CCC(=O)C 269982a_100000747261_100000053229 [0,1,0,0,0,0|2,0,0]=3 3501 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000730477_100000210303 [0,1,0,0,0,0|2,0,0]=3 3502 B9R0.48 CCCN(C)CCC(=O)N 2230a_100000747261_100000744528 [0,1,0,0,0,0|2,0,0]=3 3503 B9R0.48 CCCN(C)CCC(=O)N 269982a_100000747261_100000744528 [0,1,0,0,0,0|2,0,0]=3 3504 B9R0.48 CCCN(C)CCC(C)O 2230a_100000747261_100012276601 [0,1,0,0,0,0|2,0,1]=4 3505 B9R0.48 CCCN(C)CCC(C)O 269982a_100000747261_100012276601 [0,1,0,0,0,0|2,0,1]=4 3506 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [0,1,0,0,0,0|3,0,0]=4 3507 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,1,0,0,0,0|2,0,1]=4 3508 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,1,0,0,0,0|2,0,1]=4 3509 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,1,0,0,0,0|2,0,1]=4 3510 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,1,0,0,0,0|2,0,1]=4 3511 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,1,0,0,0,0|3,0,0]=4 3512 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,1,0,0,0,0|2,0,1]=4 3513 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,1,0,0,0,0|2,0,1]=4 3514 B9R0.48 CN(CCF)CCC(=O)N 2230a_100000730477_100011217306 [0,1,0,0,0,0|3,0,0]=4 3515 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000210263_100000744528 [0,1,0,0,0,0|3,0,0]=4 3516 B9R0.48 CN(CCO)CCC(=O)N 2230a_100000730477_100000211926 [0,1,0,0,0,0|3,0,0]=4 3517 B9R0.48 CN(CCO)CCC(=O)N 269982a_100000210263_100000744528 [0,1,0,0,0,0|3,0,0]=4 3518 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,1,0,0,0,0|2,0,1]=4 3519 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [0,1,0,0,0,0|3,0,0]=4 3520 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [0,1,0,0,0,0|3,0,0]=4 3521 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [0,1,0,0,0,0|3,0,0]=4 3522 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [0,1,0,0,0,0|3,0,0]=4 3523 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [0,1,0,0,0,0|3,0,0]=4 3524 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [0,1,0,0,0,0|3,0,0]=4 3525 B9R0.48 COCC(C)NCC(=O)N 2230a_100000711301_100000765312 [0,1,0,0,0,0|3,0,0]=4 3526 B9R0.48 COCC(C)NCC(=O)O 269956a_100016091260_100000765312 [0,1,0,0,0,0|2,0,0]=3 3527 B9R0.48 COCC(C)OCC(=O)C 34a_100000211253_100000765312 [0,1,0,0,0,0|3,0,0]=4 3528 B9R0.48 COCC(C)SCC(=O)N 62a_100000747473_100000765312 [0,1,0,0,0,0|3,0,0]=4 3529 B9R0.48 COCC(C)SCC(=O)N 62a_100000765312_100000747473 [0,1,0,0,0,0|3,0,0]=4 3530 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100000765312_100020667443 [0,1,0,0,0,0|2,0,1]=4 3531 B9R0.48 COCC(C)SCC(=O)[O-] 62a_100020667443_100000765312 [0,1,0,0,0,0|2,0,1]=4 3532 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [0,1,0,0,0,0|3,0,0]=4 3533 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [0,1,0,0,0,0|3,0,0]=4 3534 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [0,1,0,0,0,0|3,0,0]=4 3535 B9R0.48 COCN(C)CCC(=O)N 2230a_100000730477_100000766300 [0,1,0,0,0,0|3,0,0]=4 3536 B9R0.48 COC[C@@H](C)NCC(=O)N 2230a_100000764878_100000747473 [0,1,0,0,0,0|3,0,0]=4 3537 B9R0.48 COC[C@@H](C)OCC(=O)N 34a_100011934205_100000187820 [0,1,0,0,0,0|3,0,0]=4 3538 B9R0.48 COC[C@@H](C)OCC(=O)[O-] 34a_100011934205_100020667443 [0,1,0,0,0,0|2,0,1]=4 3539 B9R0.48 CSCC(C)CSC(=O)C 62a_200000116872_200000210301 [0,1,0,0,0,0|3,0,0]=4 3540 B9R0.48 CSCC(C)CSC(=O)C 62a_200000210301_200000116872 [0,1,0,0,0,0|3,0,0]=4 3541 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [0,1,0,0,0,0|3,0,0]=4 3542 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [0,1,0,0,0,0|3,0,0]=4 3543 B9R0.48 CSCN(C)CCC(=O)N 2230a_100000730477_100011218213 [0,1,0,0,0,0|3,0,0]=4 3544 B9R0.48 C[C@H](CCO)NCC(=O)N 2230a_100000706166_100000747473 [0,1,0,0,0,0|3,0,0]=4 3545 B9R0.48 C[C@H](CCO)NCC(=O)N 34a_100000706166_100000187820 [0,1,0,0,0,0|3,0,0]=4 3546 B9R0.48 C[C@H](CCO)NCC(=O)[O-] 34a_100000706166_100020667443 [0,1,0,0,0,0|2,0,1]=4 3547 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,1,0,0,0,0|2,0,1]=4 3548 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,1,0,0,0,0|2,0,1]=4 3549 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,1,0,0,0,0|2,0,1]=4 3550 B9R0.55 C=C(Br)CCOCC(C)C 34a_100009813270_100000210624 [0,1,0,0,0,0|3,0,0]=4 3551 B9R0.55 C=C(Br)CCOCC(C)O 34a_100009813270_100011218427 [0,1,0,0,0,0|3,0,0]=4 3552 B9R0.55 C=C(Br)CCOC[C@@H](C)O 34a_100009813270_100009817552 [0,1,0,0,0,0|3,0,0]=4 3553 B9R0.55 C=C(C)CCNCC(=O)N 2230a_100000711301_100000730704 [0,1,0,0,0,0|2,0,1]=4 3554 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,1,0,0,0,0|1,0,1]=3 3555 B9R0.55 C=C(C)CCNCC(C)C 2230a_100000210953_100000730704 [0,1,0,0,0,0|3,0,0]=4 3556 B9R0.55 C=C(C)CCNCC(C)C 34a_100000210953_100000730704 [0,1,0,0,0,0|3,0,0]=4 3557 B9R0.55 C=C(C)CCNCC(C)O 2230a_100000210904_100000730704 [0,1,0,0,0,0|3,0,0]=4 3558 B9R0.55 C=C(C)CCNCC(C)O 34a_100000210904_100000730704 [0,1,0,0,0,0|3,0,0]=4 3559 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [0,1,0,0,0,0|2,0,1]=4 3560 B9R0.55 C=C(C)CCOCC(=O)N 34a_100000764851_100000187820 [0,1,0,0,0,0|2,0,1]=4 3561 B9R0.55 C=C(C)CCOCC(=O)[O-] 34a_100000764851_100020667443 [0,1,0,0,0,0|1,0,2]=4 3562 B9R0.55 C=C(C)CCOCC(C)Br 34a_100012180447_100000730704 [0,1,0,0,0,0|3,0,0]=4 3563 B9R0.55 C=C(C)CCOCC(C)C 34a_100000210257_100000730704 [0,1,0,0,0,0|3,0,0]=4 3564 B9R0.55 C=C(C)CCOCC(C)C 34a_100000764851_100000210624 [0,1,0,0,0,0|3,0,0]=4 3565 B9R0.55 C=C(C)CCOCC(C)F 34a_100015925927_100000730704 [0,1,0,0,0,0|3,0,0]=4 3566 B9R0.55 C=C(C)CCOCC(C)O 34a_100000764851_100011218427 [0,1,0,0,0,0|3,0,0]=4 3567 B9R0.55 C=C(C)CCOC[C@@H](C)Cl 34a_100016084084_100000730704 [0,1,0,0,0,0|3,0,0]=4 3568 B9R0.55 C=C(C)CCOC[C@@H](C)N 34a_100000737577_100000730704 [0,1,0,0,0,0|3,0,0]=4 3569 B9R0.55 C=C(C)CCOC[C@@H](C)O 34a_100000764851_100009817552 [0,1,0,0,0,0|3,0,0]=4 3570 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000730704_100000747473 [0,1,0,0,0,0|2,0,1]=4 3571 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000747473_100000730704 [0,1,0,0,0,0|2,0,1]=4 3572 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100000730704_100020667443 [0,1,0,0,0,0|1,0,2]=4 3573 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100020667443_100000730704 [0,1,0,0,0,0|1,0,2]=4 3574 B9R0.55 C=C(C)CCSCC(C)C 62a_100000210624_100000730704 [0,1,0,0,0,0|3,0,0]=4 3575 B9R0.55 C=C(C)CCSCC(C)C 62a_100000730704_100000210760 [0,1,0,0,0,0|3,0,0]=4 3576 B9R0.55 C=C(C)CCSCC(C)O 62a_100000730704_100011218427 [0,1,0,0,0,0|3,0,0]=4 3577 B9R0.55 C=C(C)CCSCC(C)O 62a_100011218427_100000730704 [0,1,0,0,0,0|3,0,0]=4 3578 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100000730704_100009817552 [0,1,0,0,0,0|3,0,0]=4 3579 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100009817552_100000730704 [0,1,0,0,0,0|3,0,0]=4 3580 B9R0.55 C=C(C)CNCCC(C)O 2230a_200000755665_100000748629 [0,1,0,0,0,0|3,0,0]=4 3581 B9R0.55 C=C(C)CNOCC(=O)O 269956a_100000106656_100000748629 [0,1,0,0,0,0|2,0,1]=4 3582 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [0,1,0,0,0,0|2,0,1]=4 3583 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [0,1,0,0,0,0|2,0,1]=4 3584 B9R0.55 C=C(C)COCCC(=O)N 34a_100000210245_100000731001 [0,1,0,0,0,0|2,0,1]=4 3585 B9R0.55 C=C(C)COCCC(=O)N 34a_100000757172_100000748629 [0,1,0,0,0,0|2,0,1]=4 3586 B9R0.55 C=C(C)COCCC(=O)N 7a_100000757172_100000748629 [0,1,0,0,0,0|2,0,1]=4 3587 B9R0.55 C=C(C)COCCC(C)Br 34a_100009893172_100000748629 [0,1,0,0,0,0|3,0,0]=4 3588 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [0,1,0,0,0,0|3,0,0]=4 3589 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [0,1,0,0,0,0|3,0,0]=4 3590 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [0,1,0,0,0,0|3,0,0]=4 3591 B9R0.55 C=C(C)COCCC(C)O 34a_100000210245_100012276601 [0,1,0,0,0,0|3,0,0]=4 3592 B9R0.55 C=C(C)COCC[C@@H](C)N 34a_100000706166_100000748629 [0,1,0,0,0,0|3,0,0]=4 3593 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [0,1,0,0,0,0|2,0,1]=4 3594 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [0,1,0,0,0,0|2,0,1]=4 3595 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000744528_100000211660 [0,1,0,0,0,0|2,0,1]=4 3596 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000748629_100000744528 [0,1,0,0,0,0|2,0,1]=4 3597 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [0,1,0,0,0,0|3,0,0]=4 3598 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [0,1,0,0,0,0|3,0,0]=4 3599 B9R0.55 C=C(C)CSCCC(C)O 62a_100000748629_100012276601 [0,1,0,0,0,0|3,0,0]=4 3600 B9R0.55 C=C(C)CSCCC(C)O 62a_100012276601_100000211660 [0,1,0,0,0,0|3,0,0]=4 3601 B9R0.55 C=C(F)CNCCC(C)O 2230a_200000755665_100009893438 [0,1,0,0,0,0|3,0,0]=4 3602 B9R0.55 C=C(F)COCCC(C)Br 34a_100009893172_100009893438 [0,1,0,0,0,0|3,0,0]=4 3603 B9R0.55 C=C(F)COCCC(C)C 34a_100000210254_100009893438 [0,1,0,0,0,0|3,0,0]=4 3604 B9R0.55 C=C(F)COCCC(C)C 34a_200010262243_100000210312 [0,1,0,0,0,0|3,0,0]=4 3605 B9R0.55 C=C(F)COCCC(C)C 7a_100000210254_100000042424 [0,1,0,0,0,0|3,0,0]=4 3606 B9R0.55 C=C(F)COCCC(C)O 34a_200010262243_100012276601 [0,1,0,0,0,0|3,0,0]=4 3607 B9R0.55 C=C(F)COCC[C@@H](C)N 34a_100000706166_100009893438 [0,1,0,0,0,0|3,0,0]=4 3608 B9R0.55 C=C(F)CSCCC(C)C 62a_100000042424_100000210312 [0,1,0,0,0,0|3,0,0]=4 3609 B9R0.55 C=C(F)CSCCC(C)C 62a_100000210312_100000042424 [0,1,0,0,0,0|3,0,0]=4 3610 B9R0.55 C=C(F)CSCCC(C)O 62a_100000042424_100012276601 [0,1,0,0,0,0|3,0,0]=4 3611 B9R0.55 C=C(F)CSCCC(C)O 62a_100012276601_100000042424 [0,1,0,0,0,0|3,0,0]=4 3612 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [0,1,0,0,0,0|1,0,2]=4 3613 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [0,1,0,0,0,0|1,0,2]=4 3614 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,1,0,0,0,0|1,0,1]=3 3615 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,1,0,0,0,0|1,0,0]=2 3616 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,1,0,0,0,0|1,0,0]=2 3617 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,1,0,0,0,0|2,0,0]=3 3618 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,1,0,0,0,0|2,0,1]=4 3619 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,1,0,0,0,0|2,0,0]=3 3620 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,1,0,0,0,0|2,0,1]=4 3621 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [0,1,0,0,0,0|2,0,1]=4 3622 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,1,0,0,0,0|2,0,0]=3 3623 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,1,0,0,0,0|2,0,0]=3 3624 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,1,0,0,0,0|2,0,0]=3 3625 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,1,0,0,0,0|2,0,1]=4 3626 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,1,0,0,0,0|2,0,0]=3 3627 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,1,0,0,0,0|2,0,0]=3 3628 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,1,0,0,0,0|1,0,1]=3 3629 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,1,0,0,0,0|2,0,1]=4 3630 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,1,0,0,0,0|2,0,1]=4 3631 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,1,0,0,0,0|2,0,1]=4 3632 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,1,0,0,0,0|1,0,2]=4 3633 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,1,0,0,0,0|2,0,0]=3 3634 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,1,0,0,0,0|2,0,0]=3 3635 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,1,0,0,0,0|2,0,0]=3 3636 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,1,0,0,0,0|2,0,0]=3 3637 B9R0.55 CC(=O)CCOCC(F)F 1458a_100000070787_200012177212 [0,1,0,0,0,0|3,0,0]=4 3638 B9R0.55 CC(=O)CCOCC(F)F 34a_100000759926_100011934356 [0,1,0,0,0,0|3,0,0]=4 3639 B9R0.55 CC(=O)CCOCC(F)F 7a_100000759926_100011934356 [0,1,0,0,0,0|3,0,0]=4 3640 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,1,0,0,0,0|2,0,0]=3 3641 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,1,0,0,0,0|2,0,0]=3 3642 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [0,1,0,0,0,0|2,0,1]=4 3643 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [0,1,0,0,0,0|2,0,1]=4 3644 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [0,1,0,0,0,0|2,0,1]=4 3645 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [0,1,0,0,0,0|1,0,2]=4 3646 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [0,1,0,0,0,0|1,0,2]=4 3647 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,1,0,0,0,0|2,0,0]=3 3648 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,1,0,0,0,0|2,0,0]=3 3649 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,1,0,0,0,0|2,0,0]=3 3650 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,1,0,0,0,0|2,0,0]=3 3651 B9R0.55 CC(=O)CCSCC(F)F 62a_100000053229_100011934356 [0,1,0,0,0,0|3,0,0]=4 3652 B9R0.55 CC(=O)CCSCC(F)F 62a_100011934356_100000053229 [0,1,0,0,0,0|3,0,0]=4 3653 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,1,0,0,0,0|2,0,0]=3 3654 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,1,0,0,0,0|2,0,0]=3 3655 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [0,1,0,0,0,0|2,0,1]=4 3656 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,1,0,0,0,0|2,0,0]=3 3657 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,1,0,0,0,0|2,0,0]=3 3658 B9R0.55 CC(=O)COCOC(C)C 34a_100000211253_100000709892 [0,1,0,0,0,0|3,0,0]=4 3659 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [0,1,0,0,0,0|2,0,1]=4 3660 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [0,1,0,0,0,0|2,0,1]=4 3661 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,1,0,0,0,0|2,0,1]=4 3662 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,1,0,0,0,0|2,0,0]=3 3663 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,1,0,0,0,0|2,0,0]=3 3664 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,1,0,0,0,0|2,0,0]=3 3665 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,1,0,0,0,0|2,0,0]=3 3666 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [0,1,0,0,0,0|3,0,0]=4 3667 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [0,1,0,0,0,0|3,0,0]=4 3668 B9R0.55 CC(=O)NCCCS(=O)C 11a_200000753449_100015343762 [0,1,0,0,0,0|3,0,0]=4 3669 B9R0.55 CC(=O)NCCCS(=O)C 240690a_200000753449_100015343762 [0,1,0,0,0,0|3,0,0]=4 3670 B9R0.55 CC(=O)NCCCS(=O)C 527a_200000753449_100103153847 [0,1,0,0,0,0|3,0,0]=4 3671 B9R0.55 CC(=O)NCCNC(C)C 2230a_100000209853_100000210206 [0,1,0,0,0,0|3,0,0]=4 3672 B9R0.55 CC(=O)NCCNC(C)C 2230a_100138425928_100000189650 [0,1,0,0,0,0|3,0,0]=4 3673 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [0,1,0,0,0,0|3,0,0]=4 3674 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [0,1,0,0,0,0|3,0,0]=4 3675 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [0,1,0,0,0,0|3,0,0]=4 3676 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [0,1,0,0,0,0|3,0,0]=4 3677 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [0,1,0,0,0,0|3,0,0]=4 3678 B9R0.55 CC(=O)NCCSC(C)C 11a_100000731138_100015343762 [0,1,0,0,0,0|3,0,0]=4 3679 B9R0.55 CC(=O)NCCSC(C)C 1626a_100000731138_100015343762 [0,1,0,0,0,0|3,0,0]=4 3680 B9R0.55 CC(=O)NCCSC(C)C 240690a_100000731138_100015343762 [0,1,0,0,0,0|3,0,0]=4 3681 B9R0.55 CC(=O)NCCSC(C)C 527a_100000731138_100103153847 [0,1,0,0,0,0|3,0,0]=4 3682 B9R0.55 CC(=O)NCCSC(C)C 62a_100000189650_100000210206 [0,1,0,0,0,0|3,0,0]=4 3683 B9R0.55 CC(=O)NCCSC(C)C 62a_100000210206_100000189650 [0,1,0,0,0,0|3,0,0]=4 3684 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,1,0,0,0,0|3,0,0]=4 3685 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [0,1,0,0,0,0|3,0,0]=4 3686 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [0,1,0,0,0,0|3,0,0]=4 3687 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [0,1,0,0,0,0|3,0,0]=4 3688 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [0,1,0,0,0,0|3,0,0]=4 3689 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,1,0,0,0,0|2,0,1]=4 3690 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [0,1,0,0,0,0|3,0,0]=4 3691 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,1,0,0,0,0|3,0,0]=4 3692 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [0,1,0,0,0,0|3,0,0]=4 3693 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [0,1,0,0,0,0|3,0,0]=4 3694 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [0,1,0,0,0,0|3,0,0]=4 3695 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [0,1,0,0,0,0|3,0,0]=4 3696 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [0,1,0,0,0,0|3,0,0]=4 3697 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [0,1,0,0,0,0|3,0,0]=4 3698 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [0,1,0,0,0,0|3,0,0]=4 3699 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [0,1,0,0,0,0|3,0,0]=4 3700 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [0,1,0,0,0,0|3,0,0]=4 3701 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [0,1,0,0,0,0|3,0,0]=4 3702 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [0,1,0,0,0,0|3,0,0]=4 3703 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [0,1,0,0,0,0|3,0,0]=4 3704 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [0,1,0,0,0,0|3,0,0]=4 3705 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [0,1,0,0,0,0|2,0,0]=3 3706 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [0,1,0,0,0,0|1,0,1]=3 3707 B9R0.55 CC(Br)CCOC[C@@H](C)O 34a_100009893172_100009817552 [0,1,0,0,0,0|2,0,1]=4 3708 B9R0.55 CC(Br)CCOC[N+](=O)[O-] 34a_100009893172_100000761209 [0,1,0,0,0,0|2,0,1]=4 3709 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [0,1,0,0,0,0|2,0,0]=3 3710 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,1,0,0,0,0|1,0,0]=2 3711 B9R0.55 CC(C)CCCCN(C)C 2230a_100102631434_100011216152 [0,1,0,0,0,0|3,0,0]=4 3712 B9R0.55 CC(C)CCCCN(C)C 269982a_100102631434_100011216152 [0,1,0,0,0,0|3,0,0]=4 3713 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [0,1,0,0,0,0|2,0,0]=3 3714 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,1,0,0,0,0|1,0,0]=2 3715 B9R0.55 CC(C)CCNCC(C)O 2230a_100000210904_100000210312 [0,1,0,0,0,0|2,0,1]=4 3716 B9R0.55 CC(C)CCNCC(C)O 269862a_100000210904_100000185833 [0,1,0,0,0,0|2,0,1]=4 3717 B9R0.55 CC(C)CCNCC(C)O 34a_100000210904_100000210312 [0,1,0,0,0,0|2,0,1]=4 3718 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,1,0,0,0,0|2,0,0]=3 3719 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,1,0,0,0,0|2,0,0]=3 3720 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [0,1,0,0,0,0|1,0,1]=3 3721 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [0,1,0,0,0,0|2,0,1]=4 3722 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [0,1,0,0,0,0|2,0,1]=4 3723 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [0,1,0,0,0,0|2,0,1]=4 3724 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [0,1,0,0,0,0|2,0,1]=4 3725 B9R0.55 CC(C)CCOC[N+](=O)[O-] 34a_100000210254_100000761209 [0,1,0,0,0,0|2,0,1]=4 3726 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,1,0,0,0,0|2,0,0]=3 3727 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,1,0,0,0,0|2,0,0]=3 3728 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,1,0,0,0,0|1,0,1]=3 3729 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,1,0,0,0,0|1,0,1]=3 3730 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [0,1,0,0,0,0|2,0,1]=4 3731 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [0,1,0,0,0,0|2,0,1]=4 3732 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [0,1,0,0,0,0|2,0,1]=4 3733 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [0,1,0,0,0,0|2,0,1]=4 3734 B9R0.55 CC(C)CCSC[N+](=O)[O-] 62a_100000210312_100000761209 [0,1,0,0,0,0|2,0,1]=4 3735 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [0,1,0,0,0,0|2,0,0]=3 3736 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [0,1,0,0,0,0|2,0,0]=3 3737 B9R0.55 CC(C)CNCCC(C)O 2230a_100000210953_100012276601 [0,1,0,0,0,0|2,0,1]=4 3738 B9R0.55 CC(C)CNCCC(C)O 2230a_200000755665_100000210760 [0,1,0,0,0,0|2,0,1]=4 3739 B9R0.55 CC(C)CNCCC(C)O 270004a_200000755665_100000210432 [0,1,0,0,0,0|2,0,1]=4 3740 B9R0.55 CC(C)CNCCC(C)O 34a_100000210953_100012276601 [0,1,0,0,0,0|2,0,1]=4 3741 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,1,0,0,0,0|2,0,0]=3 3742 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [0,1,0,0,0,0|2,0,0]=3 3743 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [0,1,0,0,0,0|2,0,0]=3 3744 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [0,1,0,0,0,0|2,0,0]=3 3745 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [0,1,0,0,0,0|2,0,1]=4 3746 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,1,0,0,0,0|2,0,0]=3 3747 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,1,0,0,0,0|2,0,0]=3 3748 B9R0.55 CC(C)CSCCC(C)O 62a_100000210624_100012276601 [0,1,0,0,0,0|2,0,1]=4 3749 B9R0.55 CC(C)CSCCC(C)O 62a_100012276601_100000210760 [0,1,0,0,0,0|2,0,1]=4 3750 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [0,1,0,0,0,0|2,0,0]=3 3751 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [0,1,0,0,0,0|2,0,0]=3 3752 B9R0.55 CC(C)NCCCS(=O)C 2230a_200000753449_100000210206 [0,1,0,0,0,0|3,0,0]=4 3753 B9R0.55 CC(C)NCCNC(=O)N 2230a_100138425928_200000034859 [0,1,0,0,0,0|3,0,0]=4 3754 B9R0.55 CC(C)NCCNC(=O)N 34a_100020590234_100000210206 [0,1,0,0,0,0|3,0,0]=4 3755 B9R0.55 CC(C)NCCOC(=O)N 34a_100138425928_200011214921 [0,1,0,0,0,0|3,0,0]=4 3756 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [0,1,0,0,0,0|2,0,0]=3 3757 B9R0.55 CC(C)OCCC[N+](=O)[O-] 34a_200000037920_100000210206 [0,1,0,0,0,0|2,0,1]=4 3758 B9R0.55 CC(C)OCCNC(=O)N 34a_100000181757_100000210206 [0,1,0,0,0,0|3,0,0]=4 3759 B9R0.55 CC(C)OCCOC(=O)N 34a_100000212225_200011214921 [0,1,0,0,0,0|3,0,0]=4 3760 B9R0.55 CC(C)OCCOC(=O)N 7a_100000766696_100000210206 [0,1,0,0,0,0|3,0,0]=4 3761 B9R0.55 CC(C)OCNCC(=O)N 2230a_100000711301_100000709892 [0,1,0,0,0,0|3,0,0]=4 3762 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,1,0,0,0,0|2,0,0]=3 3763 B9R0.55 CC(C)OCSCC(=O)N 62a_100000709892_100000747473 [0,1,0,0,0,0|3,0,0]=4 3764 B9R0.55 CC(C)OCSCC(=O)N 62a_100000747473_100000709892 [0,1,0,0,0,0|3,0,0]=4 3765 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100000709892_100020667443 [0,1,0,0,0,0|2,0,1]=4 3766 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100020667443_100000709892 [0,1,0,0,0,0|2,0,1]=4 3767 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [0,1,0,0,0,0|2,0,0]=3 3768 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [0,1,0,0,0,0|2,0,0]=3 3769 B9R0.55 CC(C)SCCNC(=O)N 62a_100000210206_200000034859 [0,1,0,0,0,0|3,0,0]=4 3770 B9R0.55 CC(C)SCCNC(=O)N 62a_200000034859_100000210206 [0,1,0,0,0,0|3,0,0]=4 3771 B9R0.55 CC(C)SCCOC(=O)N 62a_100000210206_200011214921 [0,1,0,0,0,0|3,0,0]=4 3772 B9R0.55 CC(C)SCCOC(=O)N 62a_200011214921_100000210206 [0,1,0,0,0,0|3,0,0]=4 3773 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [0,1,0,0,0,0|2,0,0]=3 3774 B9R0.55 CC(O)CCCNC(C)C 2230a_100138425928_200000718107 [0,1,0,0,0,0|2,0,1]=4 3775 B9R0.55 CC(O)CCCNC(C)C 34a_100138425928_200000718107 [0,1,0,0,0,0|2,0,1]=4 3776 B9R0.55 CC(O)CCCOC(C)C 34a_100000212225_200000718107 [0,1,0,0,0,0|2,0,1]=4 3777 B9R0.55 CC(O)CCCSC(C)C 62a_100000210206_200000718107 [0,1,0,0,0,0|2,0,1]=4 3778 B9R0.55 CC(O)CCCSC(C)C 62a_200000718107_100000210206 [0,1,0,0,0,0|2,0,1]=4 3779 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,1,0,0,0,0|2,0,0]=3 3780 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,1,0,0,0,0|2,0,0]=3 3781 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,1,0,0,0,0|1,0,0]=2 3782 B9R0.55 CC(O)CCNCC(C)O 2230a_100000210904_100012276601 [0,1,0,0,0,0|2,0,1]=4 3783 B9R0.55 CC(O)CCNCC(C)O 2230a_200000755665_100011218427 [0,1,0,0,0,0|2,0,1]=4 3784 B9R0.55 CC(O)CCNCC(C)O 34a_100000210904_100012276601 [0,1,0,0,0,0|2,0,1]=4 3785 B9R0.55 CC(O)CCNC[C@@H](C)O 2230a_200000755665_100009817552 [0,1,0,0,0,0|2,0,1]=4 3786 B9R0.55 CC(O)CCOCC(C)Br 34a_100012180447_100012276601 [0,1,0,0,0,0|2,0,1]=4 3787 B9R0.55 CC(O)CCOCC(C)F 34a_100015925927_100012276601 [0,1,0,0,0,0|2,0,1]=4 3788 B9R0.55 CC(O)CCOC[C@@H](C)Cl 34a_100016084084_100012276601 [0,1,0,0,0,0|2,0,1]=4 3789 B9R0.55 CC(O)CCOC[C@@H](C)N 34a_100000737577_100012276601 [0,1,0,0,0,0|2,0,1]=4 3790 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,1,0,0,0,0|2,0,0]=3 3791 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,1,0,0,0,0|2,0,0]=3 3792 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,1,0,0,0,0|1,0,1]=3 3793 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,1,0,0,0,0|1,0,1]=3 3794 B9R0.55 CC(O)CCSCC(C)O 62a_100011218427_100012276601 [0,1,0,0,0,0|2,0,1]=4 3795 B9R0.55 CC(O)CCSCC(C)O 62a_100012276601_100011218427 [0,1,0,0,0,0|2,0,1]=4 3796 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100009817552_100012276601 [0,1,0,0,0,0|2,0,1]=4 3797 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100012276601_100009817552 [0,1,0,0,0,0|2,0,1]=4 3798 B9R0.55 CC(O)CCSC[N+](=O)[O-] 62a_100012276601_100000761209 [0,1,0,0,0,0|2,0,1]=4 3799 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,1,0,0,0,0|2,0,0]=3 3800 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,1,0,0,0,0|2,0,0]=3 3801 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,1,0,0,0,0|2,0,0]=3 3802 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,1,0,0,0,0|2,0,0]=3 3803 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,1,0,0,0,0|2,0,0]=3 3804 B9R0.55 CC(O)COCCC(C)Br 34a_100009893172_100011218427 [0,1,0,0,0,0|2,0,1]=4 3805 B9R0.55 CC(O)COCC[C@@H](C)N 34a_100000706166_100011218427 [0,1,0,0,0,0|2,0,1]=4 3806 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,1,0,0,0,0|2,0,0]=3 3807 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,1,0,0,0,0|2,0,0]=3 3808 B9R0.55 CN(C)CCCCB(O)O 2230a_100102631434_200009817182 [0,1,0,0,0,0|2,0,1]=4 3809 B9R0.55 CN(C)CCCCB(O)O 269982a_100102631434_200009817182 [0,1,0,0,0,0|2,0,1]=4 3810 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,1,0,0,0,0|2,0,0]=3 3811 B9R0.55 CN(C)CCOCC(=O)N 2230a_100102631434_100000076697 [0,1,0,0,0,0|3,0,0]=4 3812 B9R0.55 CN(C)CCOCC(=O)N 269982a_100102631434_100000076697 [0,1,0,0,0,0|3,0,0]=4 3813 B9R0.55 CN(C)CCSCC(=O)N 62a_100000747473_100000755713 [0,1,0,0,0,0|3,0,0]=4 3814 B9R0.55 CN(C)CCSCC(=O)[O-] 62a_100020667443_100000755713 [0,1,0,0,0,0|2,0,1]=4 3815 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [0,1,0,0,0,0|2,0,0]=3 3816 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [0,1,0,0,0,0|2,0,0]=3 3817 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [0,1,0,0,0,0|1,0,1]=3 3818 B9R0.55 C[C@@H](N)CCOC[C@@H](C)O 34a_100000706166_100009817552 [0,1,0,0,0,0|2,0,1]=4 3819 B9R0.55 C[C@@H](N)CCOC[N+](=O)[O-] 34a_100000706166_100000761209 [0,1,0,0,0,0|2,0,1]=4 3820 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [0,1,0,0,0,0|2,0,0]=3 3821 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,1,0,0,0,0|2,0,0]=3 3822 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,1,0,0,0,0|2,0,0]=3 3823 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,1,0,0,0,0|2,0,0]=3 3824 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,1,0,0,0,0|2,0,0]=3 3825 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,1,0,0,0,0|2,0,0]=3 3826 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [0,1,0,0,0,0|2,0,1]=4 3827 B9R0.55 NC(=O)CCNCC(F)F 34a_100000765723_100000731001 [0,1,0,0,0,0|3,0,0]=4 3828 B9R0.55 NC(=O)CCOCC(F)F 34a_100000743014_100000731001 [0,1,0,0,0,0|3,0,0]=4 3829 B9R0.55 NC(=O)CCOCC(F)F 34a_100000757172_100011934356 [0,1,0,0,0,0|3,0,0]=4 3830 B9R0.55 NC(=O)CCOCC(F)F 7a_100000757172_100011934356 [0,1,0,0,0,0|3,0,0]=4 3831 B9R0.55 NC(=O)CCSCC(F)F 62a_100000744528_100011934356 [0,1,0,0,0,0|3,0,0]=4 3832 B9R0.55 NC(=O)CCSCC(F)F 62a_100011934356_100000744528 [0,1,0,0,0,0|3,0,0]=4 3833 B9R0.55 NC(=O)COCCC(F)F 34a_100103093639_100000187820 [0,1,0,0,0,0|3,0,0]=4 3834 B9R0.55 O=C(O)CONCC(F)F 269956a_100000106656_100011934356 [0,1,0,0,0,0|3,0,0]=4 3835 B9R0.55 O=C([O-])COCCC(F)F 34a_100103093639_100020667443 [0,1,0,0,0,0|2,0,1]=4 3836 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [0,1,0,0,0,0|2,0,1]=4 3837 B9R1.2 CC1=CC(CCC1)O[13CH3] 34a_100011218613_200025704644 [0,0,0,1,0,0|3,0,0]=4 3838 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [0,0,0,1,0,0|2,0,1]=4 3839 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [0,0,0,1,0,0|2,0,1]=4 3840 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,0,0,1,0,0|3,0,0]=4 3841 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,0,0,1,0,0|3,0,0]=4 3842 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [0,0,0,1,0,0|2,0,1]=4 3843 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [0,0,0,1,0,0|2,0,1]=4 3844 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,0,0,1,0,0|3,0,0]=4 3845 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,0,0,1,0,0|3,0,0]=4 3846 B9R1.2 COC1C=C(CCC1)C 34a_100011218613_200000210301 [0,0,0,1,0,0|3,0,0]=4 3847 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,0,0,1,0,0|2,0,0]=3 3848 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,0,0,1,0,0|3,0,0]=4 3849 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [0,0,0,1,0,0|2,0,1]=4 3850 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,0,0,1,0,0|3,0,0]=4 3851 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,0,0,1,0,0|3,0,0]=4 3852 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,0,0,1,0,0|2,0,0]=3 3853 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,0,0,1,0,0|3,0,0]=4 3854 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,1,0,0|1,0,2]=4 3855 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,1,0,0|1,0,2]=4 3856 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,1,0,0|1,0,0]=2 3857 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,1,0,0|1,0,0]=2 3858 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,1,0,0|2,0,0]=3 3859 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,1,0,0|2,0,0]=3 3860 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,1,0,0|2,0,0]=3 3861 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,1,0,0|2,0,0]=3 3862 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,1,0,0|2,0,0]=3 3863 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,1,0,0|2,0,0]=3 3864 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,1,0,0|3,0,0]=4 3865 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,0,0,1,0,0|3,0,0]=4 3866 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,0,0,1,0,0|3,0,0]=4 3867 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,0,0,1,0,0|3,0,0]=4 3868 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,0,0,1,0,0|3,0,0]=4 3869 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,0,0,1,0,0|3,0,0]=4 3870 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,0,0,1,0,0|3,0,0]=4 3871 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,0,0,1,0,0|3,0,0]=4 3872 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,0,0,1,0,0|3,0,0]=4 3873 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,0,0,1,0,0|3,0,0]=4 3874 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,0,0,1,0,0|3,0,0]=4 3875 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,0,0,1,0,0|1,0,2]=4 3876 B9R1.6 CN(C)C1CCCCC1 2230a_100000207522_200000210301 [0,0,0,1,0,0|3,0,0]=4 3877 B9R1.6 CN(C)C1CCCCC1 269982a_100000207522_200000210301 [0,0,0,1,0,0|3,0,0]=4 3878 B9R1.6 CN(C)C1CCCCC1 269982a_100102631434_100000210327 [0,0,0,1,0,0|3,0,0]=4 3879 B9R1.6 CN(C)C1CCCCC1 270004a_100102631434_100000210434 [0,0,0,1,0,0|3,0,0]=4 3880 B9R1.6 CN(C)C1CCCCC1 34a_100000207522_200000210301 [0,0,0,1,0,0|3,0,0]=4 3881 B9R1.6 CN([13CH3])C1CCCCC1 2230a_100000207522_200025704644 [0,0,0,1,0,0|3,0,0]=4 3882 B9R1.6 CN([13CH3])C1CCCCC1 269982a_100000207522_200025704644 [0,0,0,1,0,0|3,0,0]=4 3883 B9R1.6 CN([13CH3])C1CCCCC1 34a_100000207522_200025704644 [0,0,0,1,0,0|3,0,0]=4 3884 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,1,0,0|1,0,2]=4 3885 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,1,0,0|1,0,0]=2 3886 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,1,0,0|2,0,0]=3 3887 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,1,0,0|2,0,0]=3 3888 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,1,0,0|2,0,0]=3 3889 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,1,0,0|2,0,0]=3 3890 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,1,0,0|3,0,0]=4 3891 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,0,0,1,0,0|3,0,0]=4 3892 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,0,0,1,0,0|1,0,2]=4 3893 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [0,0,0,1,0,0|2,0,1]=4 3894 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [0,0,0,1,0,0|2,0,1]=4 3895 B9R1.7 CCCN1CNC(=O)C1 2230a_200000708111_100000210303 [0,0,0,1,0,0|3,0,0]=4 3896 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,0,0,1,0,0|2,0,1]=4 3897 B9R1.7 CCNC1CNC(=O)C1 2230a_100000697751_100000210202 [0,0,0,1,0,0|3,0,0]=4 3898 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,0,0,1,0,0|2,0,1]=4 3899 B9R1.7 CCOC1CCC(=O)C1 34a_100012614533_100000210202 [0,0,0,1,0,0|2,0,0]=3 3900 B9R1.7 CCOC1CNC(=O)C1 34a_100000690082_100000210202 [0,0,0,1,0,0|3,0,0]=4 3901 B9R1.7 CCOC1COC(=O)O1 34a_100121572206_100000032252 [0,0,0,1,0,0|2,0,0]=3 3902 B9R1.7 CCSC1COC(=O)O1 62a_100000210202_100000032252 [0,0,0,1,0,0|2,0,0]=3 3903 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,0,0,1,0,0|3,0,0]=4 3904 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,0,0,1,0,0|3,0,0]=4 3905 B9R1.7 CNCC1CNC(=O)O1 2230a_106832991635_100000181169 [0,0,0,1,0,0|2,0,0]=3 3906 B9R1.7 CNCC1CNC(=O)O1 34a_100102657272_100000181169 [0,0,0,1,0,0|2,0,0]=3 3907 B9R1.7 CNCC1CNC(=O)O1 7a_106832991635_100000181169 [0,0,0,1,0,0|2,0,0]=3 3908 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,0,0,1,0,0|2,0,0]=3 3909 B9R1.7 CNC[C@@H]1CCC(=O)N1 2230a_106832991635_100015189358 [0,0,0,1,0,0|2,0,0]=3 3910 B9R1.7 CNC[C@@H]1CCC(=O)N1 7a_106832991635_100015189358 [0,0,0,1,0,0|2,0,0]=3 3911 B9R1.7 CNC[C@H]1CCC(=O)N1 2230a_100015423886_200000210301 [0,0,0,1,0,0|2,0,0]=3 3912 B9R1.7 CNC[C@H]1CCC(=O)N1 34a_100015423886_200000210301 [0,0,0,1,0,0|2,0,0]=3 3913 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,0,0,1,0,0|3,0,0]=4 3914 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,0,0,1,0,0|3,0,0]=4 3915 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,0,0,1,0,0|3,0,0]=4 3916 B9R1.7 COCC1CCC(=O)N1 34a_100000737831_200000210301 [0,0,0,1,0,0|2,0,0]=3 3917 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,0,0,1,0,0|3,0,0]=4 3918 B9R1.7 COCC1CNC(=O)O1 34a_100011315639_200000210301 [0,0,0,1,0,0|2,0,0]=3 3919 B9R1.7 COCC1CNC(=O)O1 34a_100138415774_100000181169 [0,0,0,1,0,0|2,0,0]=3 3920 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,0,0,1,0,0|2,0,0]=3 3921 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,0,0,1,0,0|3,0,0]=4 3922 B9R1.7 CSCC1CNC(=O)O1 62a_100000181169_200000210301 [0,0,0,1,0,0|2,0,0]=3 3923 B9R1.7 CSCC1CNC(=O)O1 62a_200000210301_100000181169 [0,0,0,1,0,0|2,0,0]=3 3924 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,0,0,1,0,0|2,0,0]=3 3925 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,0,0,1,0,0|2,0,0]=3 3926 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_100015189358_200000210301 [0,0,0,1,0,0|2,0,0]=3 3927 B9R1.7 CSC[C@@H]1CCC(=O)N1 62a_200000210301_100015189358 [0,0,0,1,0,0|2,0,0]=3 3928 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,0,0,1,0,0|3,0,0]=4 3929 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,0,0,1,0,0|3,0,0]=4 3930 B9R1.7 O=C1CCC(C1)OCF 34a_100012614533_100015361967 [0,0,0,1,0,0|3,0,0]=4 3931 B9R1.7 O=C1OCC(O1)SCF 62a_100015361967_100000032252 [0,0,0,1,0,0|3,0,0]=4 3932 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,0,0,1,0,0|3,0,0]=4 3933 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,0,0,1,0,0|3,0,0]=4 3934 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 2230a_100015423886_200025704644 [0,0,0,1,0,0|2,0,0]=3 3935 B9R1.7 [13CH3]NC[C@H]1CCC(=O)N1 34a_100015423886_200025704644 [0,0,0,1,0,0|2,0,0]=3 3936 B9R1.7 [13CH3]OCC1CCC(=O)N1 34a_100000737831_200025704644 [0,0,0,1,0,0|2,0,0]=3 3937 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,0,0,1,0,0|3,0,0]=4 3938 B9R1.7 [13CH3]OCC1CNC(=O)O1 34a_100011315639_200025704644 [0,0,0,1,0,0|2,0,0]=3 3939 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_100000181169_200025704644 [0,0,0,1,0,0|2,0,0]=3 3940 B9R1.7 [13CH3]SCC1CNC(=O)O1 62a_200025704644_100000181169 [0,0,0,1,0,0|2,0,0]=3 3941 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,0,0,1,0,0|2,0,0]=3 3942 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,0,0,1,0,0|2,0,0]=3 3943 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_100015189358_200025704644 [0,0,0,1,0,0|2,0,0]=3 3944 B9R1.7 [13CH3]SC[C@@H]1CCC(=O)N1 62a_200025704644_100015189358 [0,0,0,1,0,0|2,0,0]=3 3945 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,0,0,1,0,0|3,0,0]=4 3946 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,0,0,1,0,0|3,0,0]=4 3947 B9R1.9 C=C1CC(C1)CNCC 2230a_100102567296_100000210202 [0,0,0,1,0,0|3,0,0]=4 3948 B9R1.9 C=C1CC(C1)CNCC 34a_100102567296_100000210202 [0,0,0,1,0,0|3,0,0]=4 3949 B9R1.9 C=C1CC(C1)COCC 34a_100011011225_100000210202 [0,0,0,1,0,0|3,0,0]=4 3950 B9R1.9 C=C1CC(C1)NCCC 2230a_100132301982_100000210303 [0,0,0,1,0,0|3,0,0]=4 3951 B9R1.9 CCCCN1CC(C1)O 269982a_100000749847_100000210211 [0,0,0,1,0,0|2,0,1]=4 3952 B9R1.9 CCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210303 [0,0,0,1,0,0|2,0,1]=4 3953 B9R1.9 CCCSC1CC(=O)C1 62a_100009894365_100000210303 [0,0,0,1,0,0|2,0,0]=3 3954 B9R1.9 CCNCC1CC(=O)C1 2230a_100015525214_100009874392 [0,0,0,1,0,0|2,0,0]=3 3955 B9R1.9 CCNCC1CC(C1)O 2230a_100016992100_100000210202 [0,0,0,1,0,0|2,0,1]=4 3956 B9R1.9 CCOCC1CC(=O)C1 34a_100000101936_100000210202 [0,0,0,1,0,0|2,0,0]=3 3957 B9R1.9 CCSCC1CC(=O)C1 62a_100000210202_100009874392 [0,0,0,1,0,0|2,0,0]=3 3958 B9R1.9 CCSCC1CC(=O)C1 62a_100009874392_100000210202 [0,0,0,1,0,0|2,0,0]=3 3959 B9R1.9 COCSC1CC(=O)C1 62a_100009894365_100000766300 [0,0,0,1,0,0|3,0,0]=4 3960 B9R1.9 CSCSC1CC(=O)C1 62a_100009894365_100011218213 [0,0,0,1,0,0|3,0,0]=4 3961 B9R1.9 O=C1CC(C1)COCF 34a_100000101936_100015361967 [0,0,0,1,0,0|3,0,0]=4 3962 B9R1.9 O=C1CC(C1)CSCF 62a_100009874392_100015361967 [0,0,0,1,0,0|3,0,0]=4 3963 B9R1.9 O=C1CC(C1)CSCF 62a_100015361967_100009874392 [0,0,0,1,0,0|3,0,0]=4 3964 B9R1.9 O=C1CC(C1)SCCF 62a_100009894365_100011217306 [0,0,0,1,0,0|3,0,0]=4 3965 B9R1.9 O=C1CC(C1)SCCO 62a_100009894365_100000211926 [0,0,0,1,0,0|3,0,0]=4 3966 B9R1.13 C=C(C)CN1CCCC1 2230a_100000188435_100000748629 [0,0,0,1,0,0|3,0,0]=4 3967 B9R1.13 C=C(C)CN1CCCC1 269982a_100000188435_100000748629 [0,0,0,1,0,0|3,0,0]=4 3968 B9R1.13 C=C(F)CN1CCCC1 2230a_100000188435_100009893438 [0,0,0,1,0,0|3,0,0]=4 3969 B9R1.13 C=C(F)CN1CCCC1 269982a_100000188435_100009893438 [0,0,0,1,0,0|3,0,0]=4 3970 B9R1.13 CC(=O)C=C1CCCC1 1458a_100000743260_200000210301 [0,0,0,1,0,0|1,0,2]=4 3971 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,1,0,0|1,0,2]=4 3972 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,0,0,1,0,0|1,0,2]=4 3973 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [0,0,0,1,0,0|1,0,2]=4 3974 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,1,0,0|1,0,0]=2 3975 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,1,0,0|1,0,0]=2 3976 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,1,0,0|2,0,0]=3 3977 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,0,0,1,0,0|2,0,0]=3 3978 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,0,0,1,0,0|2,0,0]=3 3979 B9R1.13 CC(=O)CC1OCCO1 1458a_100000070787_100000755774 [0,0,0,1,0,0|3,0,0]=4 3980 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,0,0,1,0,0|2,0,0]=3 3981 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,1,0,0|2,0,0]=3 3982 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,1,0,0|2,0,0]=3 3983 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,1,0,0|2,0,0]=3 3984 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,1,0,0|2,0,0]=3 3985 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [0,0,0,1,0,0|3,0,0]=4 3986 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [0,0,0,1,0,0|3,0,0]=4 3987 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [0,0,0,1,0,0|3,0,0]=4 3988 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [0,0,0,1,0,0|3,0,0]=4 3989 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [0,0,0,1,0,0|3,0,0]=4 3990 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [0,0,0,1,0,0|3,0,0]=4 3991 B9R1.13 CC(O)CN1CCCC1 2230a_100000188435_100011218427 [0,0,0,1,0,0|2,0,1]=4 3992 B9R1.13 CC(O)CN1CCCC1 269982a_100000188435_100011218427 [0,0,0,1,0,0|2,0,1]=4 3993 B9R1.13 CN(C)CC1CCCC1 2230a_100102631434_100000740388 [0,0,0,1,0,0|3,0,0]=4 3994 B9R1.13 CN(C)CC1CCCC1 269982a_100102631434_100000740388 [0,0,0,1,0,0|3,0,0]=4 3995 B9R1.13 C[C@@H](O)CN1CCCC1 2230a_100000188435_100009817552 [0,0,0,1,0,0|2,0,1]=4 3996 B9R1.13 C[C@@H](O)CN1CCCC1 269982a_100000188435_100009817552 [0,0,0,1,0,0|2,0,1]=4 3997 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,0,0,1,0,0|2,0,0]=3 3998 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,0,0,1,0,0|2,0,0]=3 3999 B9R1.13 NC(=O)CN1CCSC1 2230a_100011215254_100000747473 [0,0,0,1,0,0|3,0,0]=4 4000 B9R1.13 NC(=O)CN1CCSC1 269982a_100011215254_100000187820 [0,0,0,1,0,0|3,0,0]=4 4001 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,0,0,1,0,0|1,0,1]=3 4002 B9R1.13 O=C([O-])CN1CCSC1 269982a_100011215254_100020667443 [0,0,0,1,0,0|2,0,1]=4 4003 B9R1.13 O=[N+]([O-])CN1CCCC1 269982a_100000188435_100000761209 [0,0,0,1,0,0|2,0,1]=4 4004 B9R1.13 [13CH3]C(=O)C=C1CCCC1 1458a_100000743260_200025704644 [0,0,0,1,0,0|1,0,2]=4 4005 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,1,0,0|1,0,2]=4 4006 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,0,0,1,0,0|1,0,2]=4 4007 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [0,0,0,1,0,0|1,0,2]=4 4008 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,1,0,0|1,0,0]=2 4009 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,0,0,1,0,0|2,0,0]=3 4010 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,0,0,1,0,0|2,0,0]=3 4011 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_200000210301 [0,0,0,1,0,0|2,0,1]=4 4012 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_200000210301 [0,0,0,1,0,0|2,0,1]=4 4013 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 2230a_100015977457_200025704644 [0,0,0,1,0,0|2,0,1]=4 4014 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 34a_100015977457_200025704644 [0,0,0,1,0,0|2,0,1]=4 4015 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,0,0,1,0,0|2,0,1]=4 4016 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,0,1,0,0|1,0,0]=2 4017 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,0,0,1,0,0|2,0,0]=3 4018 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,0,0,1,0,0|2,0,0]=3 4019 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,0,0,1,0,0|2,0,0]=3 4020 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,0,0,1,0,0|2,0,0]=3 4021 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,0,0,1,0,0|2,0,0]=3 4022 B9R1.41 CC(=O)N1CCSC1C 11a_200011216479_100015343762 [0,0,0,1,0,0|3,0,0]=4 4023 B9R1.41 CC(=O)N1CCSC1C 1626a_200011216479_100015343762 [0,0,0,1,0,0|3,0,0]=4 4024 B9R1.41 CC(=O)N1CCSC1C 240690a_200011216479_100015343762 [0,0,0,1,0,0|3,0,0]=4 4025 B9R1.41 CC(=O)N1CCSC1C 527a_200011216479_100103153847 [0,0,0,1,0,0|3,0,0]=4 4026 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,0,0,1,0,0|2,0,0]=3 4027 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,0,1,0,0|1,0,0]=2 4028 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [0,0,0,1,0,0|1,0,2]=4 4029 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [0,0,0,1,0,0|2,0,0]=3 4030 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,0,0,1,0,0|1,0,0]=2 4031 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,0,0,1,0,0|2,0,0]=3 4032 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,0,0,1,0,0|2,0,0]=3 4033 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,0,0,1,0,0|2,0,0]=3 4034 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [0,0,0,1,0,0|1,0,2]=4 4035 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [0,0,0,1,0,0|2,0,0]=3 4036 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,0,0,1,0,0|1,0,0]=2 4037 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,0,0,1,0,0|2,0,0]=3 4038 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,0,0,1,0,0|2,0,0]=3 4039 B9R1.46 NC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747473 [0,0,0,1,0,0|3,0,0]=4 4040 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747473 [0,0,0,1,0,0|3,0,0]=4 4041 B9R1.46 NC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000187820 [0,0,0,1,0,0|3,0,0]=4 4042 B9R1.46 O=C([O-])CN[C@@H]1C[C@H]1F 34a_100025746932_100020667443 [0,0,0,1,0,0|2,0,1]=4 4043 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [0,0,0,1,0,0|2,0,1]=4 4044 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [0,0,0,1,0,0|2,0,1]=4 4045 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,1,0,0|3,0,0]=4 4046 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [0,0,0,1,0,0|2,0,1]=4 4047 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [0,0,0,1,0,0|2,0,1]=4 4048 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,1,0,0|3,0,0]=4 4049 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,0,0,1,0,0|3,0,0]=4 4050 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,0,0,1,0,0|3,0,0]=4 4051 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,0,0,1,0,0|3,0,0]=4 4052 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,0,0,1,0,0|3,0,0]=4 4053 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,0,0,1,0,0|3,0,0]=4 4054 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,0,0,1,0,0|3,0,0]=4 4055 B9R1.67 C=C(C)CN1CCC1C 269982a_100000755817_100000748629 [0,0,0,1,0,0|3,0,0]=4 4056 B9R1.67 C=C(C)CN1CCC1C 34a_100000755817_100000748629 [0,0,0,1,0,0|3,0,0]=4 4057 B9R1.67 C=C(F)CN1CCC1C 269982a_100000755817_100009893438 [0,0,0,1,0,0|3,0,0]=4 4058 B9R1.67 C=C(F)CN1CCC1C 34a_100000755817_100009893438 [0,0,0,1,0,0|3,0,0]=4 4059 B9R1.67 CC(O)CN1CCC1C 269982a_100000755817_100011218427 [0,0,0,1,0,0|2,0,1]=4 4060 B9R1.67 CC(O)CN1CCC1C 34a_100000755817_100011218427 [0,0,0,1,0,0|2,0,1]=4 4061 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [0,0,0,1,0,0|2,0,0]=3 4062 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [0,0,0,1,0,0|2,0,0]=3 4063 B9R1.67 CC1CCN1CC(=O)[O-] 269982a_100000755817_100020667443 [0,0,0,1,0,0|1,0,1]=3 4064 B9R1.67 CC1CCN1CC(=O)[O-] 34a_100000755817_100020667443 [0,0,0,1,0,0|1,0,1]=3 4065 B9R1.67 CC1CCN1C[C@@H](C)O 269982a_100000755817_100009817552 [0,0,0,1,0,0|2,0,1]=4 4066 B9R1.67 CC1CCN1C[C@@H](C)O 34a_100000755817_100009817552 [0,0,0,1,0,0|2,0,1]=4 4067 B9R1.67 CC1CCN1C[N+](=O)[O-] 269982a_100000755817_100000761209 [0,0,0,1,0,0|2,0,1]=4 4068 B9R1.67 CC1CCN1C[N+](=O)[O-] 34a_100000755817_100000761209 [0,0,0,1,0,0|2,0,1]=4 4069 B9R1.83 CCCCNCC1CO1 2230a_100000102301_100011216344 [0,0,0,1,0,0|2,0,1]=4 4070 B9R1.83 CCCCNCC1CO1 7a_106832991798_102125554688 [0,0,0,1,0,0|2,0,1]=4 4071 B9R1.83 CCCCNC[C@@H]1CO1 7a_106832991798_100000745022 [0,0,0,1,0,0|2,0,1]=4 4072 B9R1.83 CCCCOCC1CO1 34a_100000210227_102125554688 [0,0,0,1,0,0|2,0,1]=4 4073 B9R1.83 CCCCOCC1CO1 7a_100000210227_102125554688 [0,0,0,1,0,0|2,0,1]=4 4074 B9R1.83 CCCCOC[C@@H]1CO1 34a_100000757423_100000210210 [0,0,0,1,0,0|2,0,1]=4 4075 B9R1.83 CCCCOC[C@@H]1CO1 7a_100000210227_100000745022 [0,0,0,1,0,0|2,0,1]=4 4076 B9R1.83 CCCCSCC1CO1 62a_100000210211_102125554688 [0,0,0,1,0,0|2,0,1]=4 4077 B9R1.83 CCCCSCC1CO1 62a_102125554688_100000210210 [0,0,0,1,0,0|2,0,1]=4 4078 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000210211_100000745022 [0,0,0,1,0,0|2,0,1]=4 4079 B9R1.83 CCCCSC[C@@H]1CO1 62a_100000745022_100000210210 [0,0,0,1,0,0|2,0,1]=4 4080 B9R1.83 CCCOCCC1CO1 34a_100000210258_100000732470 [0,0,0,1,0,0|2,0,1]=4 4081 B9R1.83 CCCOCC[C@@H]1CO1 34a_100009820653_100000210303 [0,0,0,1,0,0|2,0,1]=4 4082 B9R1.83 CCCSCCC1CO1 62a_100000210303_100000732470 [0,0,0,1,0,0|2,0,1]=4 4083 B9R1.83 CCCSCCC1CO1 62a_100000732470_100000210303 [0,0,0,1,0,0|2,0,1]=4 4084 B9R1.83 CCNCCCC1CO1 2230a_100015525214_100000733510 [0,0,0,1,0,0|2,0,1]=4 4085 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [0,0,0,1,0,0|2,0,1]=4 4086 B9R1.83 CCSCCCC1CO1 62a_100000210202_100000733510 [0,0,0,1,0,0|2,0,1]=4 4087 B9R1.83 CCSCCCC1CO1 62a_100000733510_100000210202 [0,0,0,1,0,0|2,0,1]=4 4088 B9R1.84 C=C(C)CCN1CCC1 269982a_100000754969_100000730704 [0,0,0,1,0,0|3,0,0]=4 4089 B9R1.84 C=C(C)CNC1CCC1 2230a_100000749019_100000748629 [0,0,0,1,0,0|3,0,0]=4 4090 B9R1.84 C=C(C)CNC1CCC1 34a_100000749019_100000748629 [0,0,0,1,0,0|3,0,0]=4 4091 B9R1.84 C=C(C)COC1CCC1 34a_100000210245_100000749161 [0,0,0,1,0,0|3,0,0]=4 4092 B9R1.84 C=C(C)COC1CCC1 34a_100000748187_100000748629 [0,0,0,1,0,0|3,0,0]=4 4093 B9R1.84 C=C(C)CSC1CCC1 62a_100000748629_100000749161 [0,0,0,1,0,0|3,0,0]=4 4094 B9R1.84 C=C(F)CNC1CCC1 2230a_100000749019_100009893438 [0,0,0,1,0,0|3,0,0]=4 4095 B9R1.84 C=C(F)CNC1CCC1 34a_100000749019_100009893438 [0,0,0,1,0,0|3,0,0]=4 4096 B9R1.84 C=C(F)COC1CCC1 34a_100000748187_100009893438 [0,0,0,1,0,0|3,0,0]=4 4097 B9R1.84 C=C(F)COC1CCC1 34a_200010262243_100000749161 [0,0,0,1,0,0|3,0,0]=4 4098 B9R1.84 C=C(F)CSC1CCC1 62a_100000042424_100000749161 [0,0,0,1,0,0|3,0,0]=4 4099 B9R1.84 CC(=O)CCN1CCC1 269982a_100000754969_100000053229 [0,0,0,1,0,0|2,0,0]=3 4100 B9R1.84 CC(=O)COC1CCC1 34a_100000211253_100000749161 [0,0,0,1,0,0|2,0,0]=3 4101 B9R1.84 CC(=O)COC1COC1 34a_100000211253_100009818527 [0,0,0,1,0,0|3,0,0]=4 4102 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,0,0,1,0,0|2,0,0]=3 4103 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,0,0,1,0,0|2,0,0]=3 4104 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,0,0,1,0,0|2,0,0]=3 4105 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,0,0,1,0,0|2,0,0]=3 4106 B9R1.84 CC(=O)NCC1COC1 11a_100015281925_100015343762 [0,0,0,1,0,0|3,0,0]=4 4107 B9R1.84 CC(=O)NCC1COC1 1626a_100015281925_100015343762 [0,0,0,1,0,0|3,0,0]=4 4108 B9R1.84 CC(=O)NCC1COC1 240690a_100015281925_100015343762 [0,0,0,1,0,0|3,0,0]=4 4109 B9R1.84 CC(=O)NCC1COC1 527a_100015281925_100103153847 [0,0,0,1,0,0|3,0,0]=4 4110 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [0,0,0,1,0,0|3,0,0]=4 4111 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [0,0,0,1,0,0|3,0,0]=4 4112 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [0,0,0,1,0,0|3,0,0]=4 4113 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [0,0,0,1,0,0|3,0,0]=4 4114 B9R1.84 CC(=O)NNC1CCC1 22a_100000736358_100000070787 [0,0,0,1,0,0|3,0,0]=4 4115 B9R1.84 CC(=O)OCN1CCC1 269982a_100000754969_100000076356 [0,0,0,1,0,0|3,0,0]=4 4116 B9R1.84 CC(O)CCN1CCC1 269982a_100000754969_100012276601 [0,0,0,1,0,0|2,0,1]=4 4117 B9R1.84 CC(O)CNC1CCC1 2230a_100000749019_100011218427 [0,0,0,1,0,0|2,0,1]=4 4118 B9R1.84 CC(O)CNC1CCC1 270004a_100000210904_100000241760 [0,0,0,1,0,0|2,0,1]=4 4119 B9R1.84 CC(O)CNC1CCC1 34a_100000210904_100000749161 [0,0,0,1,0,0|2,0,1]=4 4120 B9R1.84 CC(O)CNC1CCC1 34a_100000749019_100011218427 [0,0,0,1,0,0|2,0,1]=4 4121 B9R1.84 CC(O)COC1CCC1 34a_100000748187_100011218427 [0,0,0,1,0,0|2,0,1]=4 4122 B9R1.84 CC(O)CSC1CCC1 62a_100011218427_100000749161 [0,0,0,1,0,0|2,0,1]=4 4123 B9R1.84 C[C@@H](O)CNC1CCC1 2230a_100000749019_100009817552 [0,0,0,1,0,0|2,0,1]=4 4124 B9R1.84 C[C@@H](O)CNC1CCC1 34a_100000749019_100009817552 [0,0,0,1,0,0|2,0,1]=4 4125 B9R1.84 C[C@@H](O)COC1CCC1 34a_100000748187_100009817552 [0,0,0,1,0,0|2,0,1]=4 4126 B9R1.84 C[C@@H](O)CSC1CCC1 62a_100009817552_100000749161 [0,0,0,1,0,0|2,0,1]=4 4127 B9R1.84 NC(=O)CCN1CCC1 269982a_100000754969_100000744528 [0,0,0,1,0,0|2,0,0]=3 4128 B9R1.84 NC(=O)CNC1CCC1 2230a_100000749019_100000747473 [0,0,0,1,0,0|2,0,0]=3 4129 B9R1.84 NC(=O)CNC1CCC1 34a_100000749019_100000187820 [0,0,0,1,0,0|2,0,0]=3 4130 B9R1.84 NC(=O)CNC1COC1 2230a_100016991112_100000747473 [0,0,0,1,0,0|3,0,0]=4 4131 B9R1.84 NC(=O)COC1CCC1 34a_100000748187_100000187820 [0,0,0,1,0,0|2,0,0]=3 4132 B9R1.84 NC(=O)COC1CSC1 7a_100000072292_100000187820 [0,0,0,1,0,0|3,0,0]=4 4133 B9R1.84 NC(=O)CSC1CCC1 62a_100000747473_100000749161 [0,0,0,1,0,0|2,0,0]=3 4134 B9R1.84 NC(=O)CSC1COC1 62a_100000747473_100009818527 [0,0,0,1,0,0|3,0,0]=4 4135 B9R1.84 O=C(O)CNC1CCC1 269956a_100016091260_100000749161 [0,0,0,1,0,0|1,0,0]=2 4136 B9R1.84 O=C(O)CNC1COC1 269956a_100016091260_100009818527 [0,0,0,1,0,0|2,0,0]=3 4137 B9R1.84 O=C([O-])CNC1CCC1 34a_100000749019_100020667443 [0,0,0,1,0,0|1,0,1]=3 4138 B9R1.84 O=C([O-])COC1CCC1 34a_100000748187_100020667443 [0,0,0,1,0,0|1,0,1]=3 4139 B9R1.84 O=C([O-])CSC1CCC1 62a_100020667443_100000749161 [0,0,0,1,0,0|1,0,1]=3 4140 B9R1.84 O=C([O-])CSC1COC1 62a_100020667443_100009818527 [0,0,0,1,0,0|2,0,1]=4 4141 B9R1.84 O=[N+]([O-])CNC1CCC1 34a_100000749019_100000761209 [0,0,0,1,0,0|2,0,1]=4 4142 B9R1.84 O=[N+]([O-])COC1CCC1 34a_100000748187_100000761209 [0,0,0,1,0,0|2,0,1]=4 4143 B9R1.85 C=C(Br)CCOC1CC1 34a_100009813270_100000211595 [0,0,0,1,0,0|3,0,0]=4 4144 B9R1.85 C=C(C)CCNC1CC1 34a_100000212008_100000730704 [0,0,0,1,0,0|3,0,0]=4 4145 B9R1.85 C=C(C)CCOC1CC1 34a_100000764851_100000211595 [0,0,0,1,0,0|3,0,0]=4 4146 B9R1.85 C=C(C)CCSC1CC1 62a_100000730704_100000211595 [0,0,0,1,0,0|3,0,0]=4 4147 B9R1.85 C=C(C)CNCC1CC1 2230a_100000735609_100000748629 [0,0,0,1,0,0|3,0,0]=4 4148 B9R1.85 C=C(C)CNCC1CC1 34a_100000735609_100000748629 [0,0,0,1,0,0|3,0,0]=4 4149 B9R1.85 C=C(C)COCC1CC1 34a_100000210245_100000742324 [0,0,0,1,0,0|3,0,0]=4 4150 B9R1.85 C=C(C)COCC1CC1 34a_100000211283_100000748629 [0,0,0,1,0,0|3,0,0]=4 4151 B9R1.85 C=C(C)CSCC1CC1 62a_100000748629_100000742324 [0,0,0,1,0,0|3,0,0]=4 4152 B9R1.85 C=C(C)CSCC1CC1 62a_100000756562_100000211660 [0,0,0,1,0,0|3,0,0]=4 4153 B9R1.85 C=C(F)CNCC1CC1 2230a_100000735609_100009893438 [0,0,0,1,0,0|3,0,0]=4 4154 B9R1.85 C=C(F)CNCC1CC1 34a_100000735609_100009893438 [0,0,0,1,0,0|3,0,0]=4 4155 B9R1.85 C=C(F)COCC1CC1 34a_100000211283_100009893438 [0,0,0,1,0,0|3,0,0]=4 4156 B9R1.85 C=C(F)COCC1CC1 34a_200010262243_100000742324 [0,0,0,1,0,0|3,0,0]=4 4157 B9R1.85 C=C(F)CSCC1CC1 62a_100000042424_100000742324 [0,0,0,1,0,0|3,0,0]=4 4158 B9R1.85 C=C(F)CSCC1CC1 62a_100000756562_100000042424 [0,0,0,1,0,0|3,0,0]=4 4159 B9R1.85 CC(=O)CC#CC1CC1 1458a_100000070787_100009895102 [0,0,0,1,0,0|1,0,2]=4 4160 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,0,0,1,0,0|2,0,0]=3 4161 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,0,0,1,0,0|2,0,0]=3 4162 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,0,0,1,0,0|2,0,0]=3 4163 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [0,0,0,1,0,0|2,0,0]=3 4164 B9R1.85 CC(=O)COCC1CO1 34a_100000211253_102125554688 [0,0,0,1,0,0|3,0,0]=4 4165 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,0,0,1,0,0|2,0,0]=3 4166 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,0,0,1,0,0|2,0,0]=3 4167 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,0,0,1,0,0|2,0,0]=3 4168 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,0,0,1,0,0|2,0,0]=3 4169 B9R1.85 CC(=O)NNCC1CC1 22a_100000736359_100000070787 [0,0,0,1,0,0|3,0,0]=4 4170 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [0,0,0,1,0,0|3,0,0]=4 4171 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [0,0,0,1,0,0|3,0,0]=4 4172 B9R1.85 CC(O)CCNC1CC1 34a_100000212008_100012276601 [0,0,0,1,0,0|2,0,1]=4 4173 B9R1.85 CC(O)CCSC1CC1 62a_100012276601_100000211595 [0,0,0,1,0,0|2,0,1]=4 4174 B9R1.85 CC(O)CNCC1CC1 2230a_100000210904_100000742324 [0,0,0,1,0,0|2,0,1]=4 4175 B9R1.85 CC(O)CNCC1CC1 2230a_100000735609_100011218427 [0,0,0,1,0,0|2,0,1]=4 4176 B9R1.85 CC(O)CNCC1CC1 269862a_100000210904_100000741477 [0,0,0,1,0,0|2,0,1]=4 4177 B9R1.85 CC(O)CNCC1CC1 34a_100000210904_100000742324 [0,0,0,1,0,0|2,0,1]=4 4178 B9R1.85 CC(O)CNCC1CC1 34a_100000735609_100011218427 [0,0,0,1,0,0|2,0,1]=4 4179 B9R1.85 CC(O)COCC1CC1 34a_100000211283_100011218427 [0,0,0,1,0,0|2,0,1]=4 4180 B9R1.85 CC(O)CSCC1CC1 62a_100000756562_100011218427 [0,0,0,1,0,0|2,0,1]=4 4181 B9R1.85 CC(O)CSCC1CC1 62a_100011218427_100000742324 [0,0,0,1,0,0|2,0,1]=4 4182 B9R1.85 C[C@@H](O)CNCC1CC1 2230a_100000735609_100009817552 [0,0,0,1,0,0|2,0,1]=4 4183 B9R1.85 C[C@@H](O)CNCC1CC1 34a_100000735609_100009817552 [0,0,0,1,0,0|2,0,1]=4 4184 B9R1.85 C[C@@H](O)COCC1CC1 34a_100000211283_100009817552 [0,0,0,1,0,0|2,0,1]=4 4185 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100000756562_100009817552 [0,0,0,1,0,0|2,0,1]=4 4186 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100009817552_100000742324 [0,0,0,1,0,0|2,0,1]=4 4187 B9R1.85 NC(=O)CCNC1CC1 34a_100000212008_100000731001 [0,0,0,1,0,0|2,0,0]=3 4188 B9R1.85 NC(=O)CCOC1CC1 34a_100000757172_100000211595 [0,0,0,1,0,0|2,0,0]=3 4189 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [0,0,0,1,0,0|2,0,0]=3 4190 B9R1.85 NC(=O)CNCC1CC1 2230a_100000711301_100000742324 [0,0,0,1,0,0|2,0,0]=3 4191 B9R1.85 NC(=O)CNCC1CC1 2230a_100000735609_100000747473 [0,0,0,1,0,0|2,0,0]=3 4192 B9R1.85 NC(=O)CNCC1CC1 34a_100000735609_100000187820 [0,0,0,1,0,0|2,0,0]=3 4193 B9R1.85 NC(=O)CNCC1CO1 2230a_100000711301_100011216344 [0,0,0,1,0,0|3,0,0]=4 4194 B9R1.85 NC(=O)COCC1CC1 34a_100000211283_100000187820 [0,0,0,1,0,0|2,0,0]=3 4195 B9R1.85 NC(=O)COC[C@@H]1CO1 34a_100000757423_100000187820 [0,0,0,1,0,0|3,0,0]=4 4196 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [0,0,0,1,0,0|2,0,0]=3 4197 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [0,0,0,1,0,0|2,0,0]=3 4198 B9R1.85 NC(=O)CSCC1CO1 62a_100000747473_102125554688 [0,0,0,1,0,0|3,0,0]=4 4199 B9R1.85 NC(=O)CSCC1CO1 62a_102125554688_100000747473 [0,0,0,1,0,0|3,0,0]=4 4200 B9R1.85 NC(=O)CSCC1CS1 62a_100000031435_100000747473 [0,0,0,1,0,0|3,0,0]=4 4201 B9R1.85 NC(=O)CSCC1CS1 62a_100000747473_100000031435 [0,0,0,1,0,0|3,0,0]=4 4202 B9R1.85 NC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747473 [0,0,0,1,0,0|3,0,0]=4 4203 B9R1.85 NC(=O)CSC[C@@H]1CO1 62a_100000747473_100000745022 [0,0,0,1,0,0|3,0,0]=4 4204 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,0,0,1,0,0|1,0,0]=2 4205 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [0,0,0,1,0,0|2,0,0]=3 4206 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [0,0,0,1,0,0|2,0,0]=3 4207 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [0,0,0,1,0,0|2,0,0]=3 4208 B9R1.85 O=C(O)CONC1CC1 269956a_100000106656_100000211595 [0,0,0,1,0,0|2,0,0]=3 4209 B9R1.85 O=C([O-])CNCC1CC1 34a_100000735609_100020667443 [0,0,0,1,0,0|1,0,1]=3 4210 B9R1.85 O=C([O-])COCC1CC1 34a_100000211283_100020667443 [0,0,0,1,0,0|1,0,1]=3 4211 B9R1.85 O=C([O-])COC[C@@H]1CO1 34a_100000757423_100020667443 [0,0,0,1,0,0|2,0,1]=4 4212 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [0,0,0,1,0,0|1,0,1]=3 4213 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [0,0,0,1,0,0|1,0,1]=3 4214 B9R1.85 O=C([O-])CSCC1CO1 62a_100020667443_102125554688 [0,0,0,1,0,0|2,0,1]=4 4215 B9R1.85 O=C([O-])CSCC1CO1 62a_102125554688_100020667443 [0,0,0,1,0,0|2,0,1]=4 4216 B9R1.85 O=C([O-])CSCC1CS1 62a_100000031435_100020667443 [0,0,0,1,0,0|2,0,1]=4 4217 B9R1.85 O=C([O-])CSCC1CS1 62a_100020667443_100000031435 [0,0,0,1,0,0|2,0,1]=4 4218 B9R1.85 O=C([O-])CSC[C@@H]1CO1 62a_100000745022_100020667443 [0,0,0,1,0,0|2,0,1]=4 4219 B9R1.85 O=C([O-])CSC[C@@H]1CO1 62a_100020667443_100000745022 [0,0,0,1,0,0|2,0,1]=4 4220 B9R1.85 O=[N+]([O-])CNCC1CC1 34a_100000735609_100000761209 [0,0,0,1,0,0|2,0,1]=4 4221 B9R1.85 O=[N+]([O-])COCC1CC1 34a_100000211283_100000761209 [0,0,0,1,0,0|2,0,1]=4 4222 B9R1.85 O=[N+]([O-])CSCC1CC1 62a_100000756562_100000761209 [0,0,0,1,0,0|2,0,1]=4 4223 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,0,0,1,0,0|2,0,0]=3 4224 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,0,0,1,0,0|1,0,0]=2 4225 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,0,0,1,0,0|2,0,0]=3 4226 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 4227 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|1,0,1]=4 4228 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|1,0,1]=4 4229 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|1,0,1]=4 4230 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|1,0,1]=4 4231 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 4232 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|1,0,1]=4 4233 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|1,0,1]=4 4234 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|1,0,1]=4 4235 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|1,0,1]=4 4236 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|1,0,1]=4 4237 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|1,0,1]=4 4238 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|1,0,1]=4 4239 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|1,0,1]=4 4240 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|1,0,1]=4 4241 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|1,0,1]=4 4242 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|1,0,1]=4 4243 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|1,0,1]=4 4244 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|1,0,1]=4 4245 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|1,0,1]=4 4246 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|1,0,1]=4 4247 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|1,0,1]=4 4248 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|1,0,1]=4 4249 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|1,0,1]=4 4250 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|1,0,1]=4 4251 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|1,0,1]=4 4252 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|1,0,1]=4 4253 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,1]=4 4254 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 4255 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,1]=4 4256 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 4257 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,1]=4 4258 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 4259 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,1]=4 4260 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 4261 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 4262 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 4263 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|1,0,1]=4 4264 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|1,0,1]=4 4265 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|1,0,1]=4 4266 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|1,0,1]=4 4267 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 4268 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 4269 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 4270 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [2,0,0,0,0,0|2,0,0]=4 4271 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 4272 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,1]=4 4273 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 4274 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 4275 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|2,0,0]=4 4276 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,1]=4 4277 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,1]=4 4278 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [2,0,0,0,0,0|2,0,0]=4 4279 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [2,0,0,0,0,0|2,0,0]=4 4280 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [2,0,0,0,0,0|2,0,0]=4 4281 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [2,0,0,0,0,0|1,0,0]=3 4282 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [2,0,0,0,0,0|1,0,0]=3 4283 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,0]=3 4284 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [2,0,0,0,0,0|2,0,0]=4 4285 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [2,0,0,0,0,0|1,0,1]=4 4286 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [2,0,0,0,0,0|2,0,0]=4 4287 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [2,0,0,0,0,0|2,0,0]=4 4288 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [2,0,0,0,0,0|1,0,0]=3 4289 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,0]=3 4290 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,0]=3 4291 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [2,0,0,0,0,0|1,0,1]=4 4292 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [2,0,0,0,0,0|2,0,0]=4 4293 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [2,0,0,0,0,0|2,0,0]=4 4294 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [2,0,0,0,0,0|1,0,0]=3 4295 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [2,0,0,0,0,0|1,0,0]=3 4296 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 4297 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [2,0,0,0,0,0|2,0,0]=4 4298 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [2,0,0,0,0,0|2,0,0]=4 4299 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,0]=3 4300 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|2,0,0]=4 4301 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|2,0,0]=4 4302 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|2,0,0]=4 4303 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|2,0,0]=4 4304 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|2,0,0]=4 4305 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,0]=3 4306 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [2,0,0,0,0,0|2,0,0]=4 4307 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [2,0,0,0,0,0|2,0,0]=4 4308 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|1,0,0]=3 4309 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|1,0,0]=3 4310 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 4311 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,0]=3 4312 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 4313 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [2,0,0,0,0,0|2,0,0]=4 4314 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [2,0,0,0,0,0|2,0,0]=4 4315 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 4316 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,0]=3 4317 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,0]=3 4318 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,0]=3 4319 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,0]=3 4320 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [2,0,0,0,0,0|2,0,0]=4 4321 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 4322 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [2,0,0,0,0,0|2,0,0]=4 4323 B6R0.6 COCCCCF 34a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 4324 B6R0.6 COCCCCF 34a_100138415774_100000729493 [2,0,0,0,0,0|2,0,0]=4 4325 B6R0.6 COCCCCF 7a_100011995726_200000210301 [2,0,0,0,0,0|2,0,0]=4 4326 B6R0.6 COCCCCI 34a_200012148704_200000210301 [2,0,0,0,0,0|2,0,0]=4 4327 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|2,0,0]=4 4328 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,0]=3 4329 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [2,0,0,0,0,0|2,0,0]=4 4330 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [2,0,0,0,0,0|2,0,0]=4 4331 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [2,0,0,0,0,0|2,0,0]=4 4332 B6R0.6 COCSCCO 62a_100000211926_100000766300 [2,0,0,0,0,0|2,0,0]=4 4333 B6R0.6 COCSCCO 62a_100000766300_100000211926 [2,0,0,0,0,0|2,0,0]=4 4334 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,0]=3 4335 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,0]=3 4336 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [2,0,0,0,0,0|2,0,0]=4 4337 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [2,0,0,0,0,0|2,0,0]=4 4338 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,0]=3 4339 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,0]=3 4340 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [2,0,0,0,0,0|2,0,0]=4 4341 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [2,0,0,0,0,0|2,0,0]=4 4342 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [2,0,0,0,0,0|2,0,0]=4 4343 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [2,0,0,0,0,0|2,0,0]=4 4344 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [2,0,0,0,0,0|2,0,0]=4 4345 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [2,0,0,0,0,0|2,0,0]=4 4346 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [2,0,0,0,0,0|2,0,0]=4 4347 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [2,0,0,0,0,0|2,0,0]=4 4348 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [2,0,0,0,0,0|2,0,0]=4 4349 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [2,0,0,0,0,0|2,0,0]=4 4350 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [2,0,0,0,0,0|2,0,0]=4 4351 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [2,0,0,0,0,0|2,0,0]=4 4352 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [2,0,0,0,0,0|2,0,0]=4 4353 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [2,0,0,0,0,0|2,0,0]=4 4354 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [2,0,0,0,0,0|2,0,0]=4 4355 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [2,0,0,0,0,0|2,0,0]=4 4356 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [2,0,0,0,0,0|2,0,0]=4 4357 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [2,0,0,0,0,0|2,0,0]=4 4358 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [2,0,0,0,0,0|2,0,0]=4 4359 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [2,0,0,0,0,0|2,0,0]=4 4360 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [2,0,0,0,0,0|2,0,0]=4 4361 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [2,0,0,0,0,0|2,0,0]=4 4362 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [2,0,0,0,0,0|2,0,0]=4 4363 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 4364 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [2,0,0,0,0,0|2,0,0]=4 4365 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [2,0,0,0,0,0|2,0,0]=4 4366 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [2,0,0,0,0,0|2,0,0]=4 4367 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 4368 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,0]=3 4369 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [2,0,0,0,0,0|2,0,0]=4 4370 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 4371 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [2,0,0,0,0,0|2,0,0]=4 4372 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 4373 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [2,0,0,0,0,0|2,0,0]=4 4374 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [2,0,0,0,0,0|2,0,0]=4 4375 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|2,0,0]=4 4376 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,0]=3 4377 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,0]=3 4378 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [2,0,0,0,0,0|2,0,0]=4 4379 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [2,0,0,0,0,0|2,0,0]=4 4380 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,0]=3 4381 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,0]=3 4382 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|2,0,0]=4 4383 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|2,0,0]=4 4384 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 4385 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 4386 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|2,0,0]=4 4387 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|2,0,0]=4 4388 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,0]=3 4389 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,0]=3 4390 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,0]=3 4391 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 4392 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 4393 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 4394 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|2,0,0]=4 4395 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 4396 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 4397 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,0]=3 4398 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|2,0,0]=4 4399 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|2,0,0]=4 4400 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 4401 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|2,0,0]=4 4402 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|1,0,1]=4 4403 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|2,0,0]=4 4404 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 4405 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 4406 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|2,0,0]=4 4407 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|1,0,1]=4 4408 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|1,0,1]=4 4409 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|2,0,0]=4 4410 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 4411 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 4412 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 4413 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [2,0,0,0,0,0|2,0,0]=4 4414 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|2,0,0]=4 4415 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|2,0,0]=4 4416 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 4417 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 4418 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 4419 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 4420 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 4421 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|2,0,0]=4 4422 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|2,0,0]=4 4423 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|2,0,0]=4 4424 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|2,0,0]=4 4425 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|2,0,0]=4 4426 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 4427 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 4428 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|2,0,0]=4 4429 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|2,0,0]=4 4430 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [2,0,0,0,0,0|2,0,0]=4 4431 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 4432 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 4433 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 4434 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 4435 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,1,0,0,0,0|1,0,1]=4 4436 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,1,0,0,0,0|1,0,1]=4 4437 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [1,1,0,0,0,0|2,0,0]=4 4438 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [1,1,0,0,0,0|2,0,0]=4 4439 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,1,0,0,0,0|1,0,1]=4 4440 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,1,0,0,0,0|1,0,1]=4 4441 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [1,1,0,0,0,0|2,0,0]=4 4442 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [1,1,0,0,0,0|2,0,0]=4 4443 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [1,1,0,0,0,0|2,0,0]=4 4444 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [1,1,0,0,0,0|2,0,0]=4 4445 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [1,1,0,0,0,0|2,0,0]=4 4446 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [1,1,0,0,0,0|2,0,0]=4 4447 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [1,1,0,0,0,0|2,0,0]=4 4448 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [1,1,0,0,0,0|2,0,0]=4 4449 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [1,1,0,0,0,0|2,0,0]=4 4450 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [1,1,0,0,0,0|2,0,0]=4 4451 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [1,1,0,0,0,0|2,0,0]=4 4452 B8R0.1 C=CCNC(C)CCC 2230a_100000741246_100000210623 [1,1,0,0,0,0|2,0,0]=4 4453 B8R0.1 C=CCNC(C)CCC 2230a_100020586998_100000766640 [1,1,0,0,0,0|2,0,0]=4 4454 B8R0.1 C=CCNC(C)CCC 270004a_100020586998_100000211909 [1,1,0,0,0,0|2,0,0]=4 4455 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [1,1,0,0,0,0|2,0,0]=4 4456 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [1,1,0,0,0,0|2,0,0]=4 4457 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [1,1,0,0,0,0|2,0,0]=4 4458 B8R0.1 C=CCSC(C)CCC 62a_100000210623_100000766640 [1,1,0,0,0,0|2,0,0]=4 4459 B8R0.1 C=CCSC(C)CCC 62a_100000766640_100000210623 [1,1,0,0,0,0|2,0,0]=4 4460 B8R0.1 C=CC[C@@H](C)OCCC 34a_100000731007_100000210303 [1,1,0,0,0,0|2,0,0]=4 4461 B8R0.1 C=CC[C@@H](C)OCCC 7a_100000731007_100000210303 [1,1,0,0,0,0|2,0,0]=4 4462 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [1,1,0,0,0,0|2,0,0]=4 4463 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [1,1,0,0,0,0|2,0,0]=4 4464 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [1,1,0,0,0,0|2,0,0]=4 4465 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [1,1,0,0,0,0|2,0,0]=4 4466 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,1,0,0,0,0|0,0,2]=4 4467 B8R0.1 CCCC(C)CCOC 34a_100011217855_200000210301 [1,1,0,0,0,0|2,0,0]=4 4468 B8R0.1 CCCC(C)CCOC 7a_100011217855_200000210301 [1,1,0,0,0,0|2,0,0]=4 4469 B8R0.1 CCCC(C)CCO[13CH3] 34a_100011217855_200025704644 [1,1,0,0,0,0|2,0,0]=4 4470 B8R0.1 CCCC(C)CCO[13CH3] 7a_100011217855_200025704644 [1,1,0,0,0,0|2,0,0]=4 4471 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [1,1,0,0,0,0|1,0,0]=3 4472 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [1,1,0,0,0,0|1,0,1]=4 4473 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [1,1,0,0,0,0|1,0,1]=4 4474 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [1,1,0,0,0,0|1,0,1]=4 4475 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [1,1,0,0,0,0|1,0,1]=4 4476 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [1,1,0,0,0,0|1,0,0]=3 4477 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [1,1,0,0,0,0|1,0,0]=3 4478 B8R0.1 CCCC(C)OCCO 34a_100000764384_100000211926 [1,1,0,0,0,0|1,0,1]=4 4479 B8R0.1 CCCC(C)OCCO 7a_100000764384_100000211926 [1,1,0,0,0,0|1,0,1]=4 4480 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [1,1,0,0,0,0|1,0,0]=3 4481 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [1,1,0,0,0,0|1,0,0]=3 4482 B8R0.1 CCCC(C)SCCO 62a_100000211926_100000766640 [1,1,0,0,0,0|1,0,1]=4 4483 B8R0.1 CCCC(C)SCCO 62a_100000766640_100000211926 [1,1,0,0,0,0|1,0,1]=4 4484 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,1,0,0,0,0|0,0,2]=4 4485 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,1,0,0,0,0|0,0,2]=4 4486 B8R0.1 CCCCC(C)COC 34a_100011995851_200000210301 [1,1,0,0,0,0|2,0,0]=4 4487 B8R0.1 CCCCC(C)COC 7a_100011995851_200000210301 [1,1,0,0,0,0|2,0,0]=4 4488 B8R0.1 CCCCC(C)CO[13CH3] 34a_100011995851_200025704644 [1,1,0,0,0,0|2,0,0]=4 4489 B8R0.1 CCCCC(C)CO[13CH3] 7a_100011995851_200025704644 [1,1,0,0,0,0|2,0,0]=4 4490 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [1,1,0,0,0,0|1,0,0]=3 4491 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [1,1,0,0,0,0|1,0,0]=3 4492 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [1,1,0,0,0,0|1,0,1]=4 4493 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [1,1,0,0,0,0|1,0,1]=4 4494 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [1,1,0,0,0,0|1,0,1]=4 4495 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [1,1,0,0,0,0|1,0,1]=4 4496 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [1,1,0,0,0,0|1,0,1]=4 4497 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [1,1,0,0,0,0|1,0,1]=4 4498 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [1,1,0,0,0,0|1,0,1]=4 4499 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [1,1,0,0,0,0|1,0,1]=4 4500 B8R0.1 CCCC[C@H](N)COC 34a_100011934283_200000210301 [1,1,0,0,0,0|2,0,0]=4 4501 B8R0.1 CCCC[C@H](N)CO[13CH3] 34a_100011934283_200025704644 [1,1,0,0,0,0|2,0,0]=4 4502 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [1,1,0,0,0,0|1,0,1]=4 4503 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [1,1,0,0,0,0|1,0,1]=4 4504 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [1,1,0,0,0,0|1,0,1]=4 4505 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [1,1,0,0,0,0|1,0,1]=4 4506 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [1,1,0,0,0,0|1,0,1]=4 4507 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [1,1,0,0,0,0|1,0,1]=4 4508 B8R0.1 CCCOC(C)CCO 34a_100000210258_100009893172 [1,1,0,0,0,0|1,0,1]=4 4509 B8R0.1 CCCSC(C)CCO 62a_100000210303_100009893172 [1,1,0,0,0,0|1,0,1]=4 4510 B8R0.1 CCCSC(C)CCO 62a_100009893172_100000210303 [1,1,0,0,0,0|1,0,1]=4 4511 B8R0.1 CCC[C@H](N)CCOC 34a_100015193777_200000210301 [1,1,0,0,0,0|2,0,0]=4 4512 B8R0.1 CCC[C@H](N)CCO[13CH3] 34a_100015193777_200025704644 [1,1,0,0,0,0|2,0,0]=4 4513 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [1,1,0,0,0,0|2,0,0]=4 4514 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [1,1,0,0,0,0|2,0,0]=4 4515 B8R0.1 CNC[C@H](C)CCCO 2230a_100160569302_200000210301 [1,1,0,0,0,0|1,0,1]=4 4516 B8R0.1 CNC[C@H](C)CCCO 34a_100160569302_200000210301 [1,1,0,0,0,0|1,0,1]=4 4517 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [1,1,0,0,0,0|2,0,0]=4 4518 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [1,1,0,0,0,0|2,0,0]=4 4519 B8R0.1 COCCN(C)CC=O 2230a_100000743101_200015260668 [1,1,0,0,0,0|2,0,0]=4 4520 B8R0.1 COCCN(C)CC=O 269982a_100000743101_200015260668 [1,1,0,0,0,0|2,0,0]=4 4521 B8R0.1 COC[C@@H](C)NCC=O 2230a_100000764878_200015260668 [1,1,0,0,0,0|2,0,0]=4 4522 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [1,1,0,0,0,0|2,0,0]=4 4523 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [1,1,0,0,0,0|2,0,0]=4 4524 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [1,1,0,0,0,0|2,0,0]=4 4525 B8R0.1 C[C@H](CCCO)CN[13CH3] 2230a_100160569302_200025704644 [1,1,0,0,0,0|1,0,1]=4 4526 B8R0.1 C[C@H](CCCO)CN[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|1,0,1]=4 4527 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [1,1,0,0,0,0|2,0,0]=4 4528 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [1,1,0,0,0,0|2,0,0]=4 4529 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [1,1,0,0,0,0|1,0,1]=4 4530 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [1,1,0,0,0,0|1,0,1]=4 4531 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [1,1,0,0,0,0|1,0,1]=4 4532 B8R0.4 C#CCCCCCOC 34a_100000766912_200000210301 [1,1,0,0,0,0|1,0,1]=4 4533 B8R0.4 C#CCCCCCOC 34a_100138415774_100012094781 [1,1,0,0,0,0|1,0,1]=4 4534 B8R0.4 C#CCCCCCOC 7a_100000766912_200000210301 [1,1,0,0,0,0|1,0,1]=4 4535 B8R0.4 C#CCCCCCO[13CH3] 34a_100000766912_200025704644 [1,1,0,0,0,0|1,0,1]=4 4536 B8R0.4 C#CCCCCCO[13CH3] 7a_100000766912_200025704644 [1,1,0,0,0,0|1,0,1]=4 4537 B8R0.4 C#CCCCCCSC 62a_100012094781_200000210301 [1,1,0,0,0,0|1,0,1]=4 4538 B8R0.4 C#CCCCCCSC 62a_200000210301_100012094781 [1,1,0,0,0,0|1,0,1]=4 4539 B8R0.4 C#CCCCCCS[13CH3] 62a_100012094781_200025704644 [1,1,0,0,0,0|1,0,1]=4 4540 B8R0.4 C#CCCCCCS[13CH3] 62a_200025704644_100012094781 [1,1,0,0,0,0|1,0,1]=4 4541 B8R0.4 C#CCCCCNCC 2230a_100000706060_100000210202 [1,1,0,0,0,0|1,0,1]=4 4542 B8R0.4 C#CCCCCNCC 2230a_100015525214_100010269958 [1,1,0,0,0,0|1,0,1]=4 4543 B8R0.4 C#CCCCCNCC 34a_100000706060_100000210202 [1,1,0,0,0,0|1,0,1]=4 4544 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,1,0,0,0,0|1,0,1]=4 4545 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,1,0,0,0,0|1,0,1]=4 4546 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,1,0,0,0,0|1,0,1]=4 4547 B8R0.4 C#CCCCCSCC 62a_100000210202_100010269958 [1,1,0,0,0,0|1,0,1]=4 4548 B8R0.4 C#CCCCCSCC 62a_100010269958_100000210202 [1,1,0,0,0,0|1,0,1]=4 4549 B8R0.4 C#CCCCNCC=O 34a_100000718082_200009817547 [1,1,0,0,0,0|0,0,2]=4 4550 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [1,1,0,0,0,0|1,0,1]=4 4551 B8R0.4 C#CCCCOCC=O 34a_100000215630_200009817547 [1,1,0,0,0,0|0,0,2]=4 4552 B8R0.4 C#CCCCOCC=O 7a_100000215630_200015260668 [1,1,0,0,0,0|0,0,2]=4 4553 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [1,1,0,0,0,0|1,0,1]=4 4554 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [1,1,0,0,0,0|1,0,1]=4 4555 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [1,1,0,0,0,0|1,0,1]=4 4556 B8R0.4 C#CCCCSCC=O 62a_100011215417_200015260668 [1,1,0,0,0,0|0,0,2]=4 4557 B8R0.4 C#CCCCSCC=O 62a_200015260668_100011215417 [1,1,0,0,0,0|0,0,2]=4 4558 B8R0.4 C#CCCCSCCC 62a_100000210303_100011215417 [1,1,0,0,0,0|1,0,1]=4 4559 B8R0.4 C#CCCCSCCC 62a_100011215417_100000210303 [1,1,0,0,0,0|1,0,1]=4 4560 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [1,1,0,0,0,0|1,0,1]=4 4561 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [1,1,0,0,0,0|1,0,1]=4 4562 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [1,1,0,0,0,0|1,0,1]=4 4563 B8R0.4 C#CCCOCCCC 34a_100000210227_100000688953 [1,1,0,0,0,0|1,0,1]=4 4564 B8R0.4 C#CCCOCCCC 34a_100011215631_100000210210 [1,1,0,0,0,0|1,0,1]=4 4565 B8R0.4 C#CCCOCCCC 7a_100000210227_100000688953 [1,1,0,0,0,0|1,0,1]=4 4566 B8R0.4 C#CCCSCCCC 62a_100000210211_100000688953 [1,1,0,0,0,0|1,0,1]=4 4567 B8R0.4 C#CCCSCCCC 62a_100000688953_100000210210 [1,1,0,0,0,0|1,0,1]=4 4568 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [1,1,0,0,0,0|1,0,1]=4 4569 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [1,1,0,0,0,0|1,0,1]=4 4570 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [1,1,0,0,0,0|1,0,1]=4 4571 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [1,1,0,0,0,0|1,0,1]=4 4572 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [1,1,0,0,0,0|1,0,1]=4 4573 B8R0.4 C#CCSCCCC=O 62a_100000038162_200011292268 [1,1,0,0,0,0|0,0,2]=4 4574 B8R0.4 C#CCSCCCCC 62a_100000038162_100000210326 [1,1,0,0,0,0|1,0,1]=4 4575 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [1,1,0,0,0,0|0,0,2]=4 4576 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [1,1,0,0,0,0|1,0,1]=4 4577 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [1,1,0,0,0,0|1,0,1]=4 4578 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [1,1,0,0,0,0|1,0,1]=4 4579 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [1,1,0,0,0,0|1,0,1]=4 4580 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [1,1,0,0,0,0|1,0,1]=4 4581 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [1,1,0,0,0,0|1,0,1]=4 4582 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [1,1,0,0,0,0|1,0,1]=4 4583 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,1,0,0,0,0|1,0,0]=3 4584 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,1,0,0,0,0|1,0,0]=3 4585 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,1,0,0,0,0|1,0,0]=3 4586 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,1,0,0,0,0|1,0,0]=3 4587 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,1,0,0,0,0|1,0,0]=3 4588 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,1,0,0,0,0|1,0,0]=3 4589 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,1,0,0,0,0|1,0,0]=3 4590 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,1,0,0,0,0|1,0,0]=3 4591 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,1,0,0,0,0|1,0,0]=3 4592 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,1,0,0,0,0|1,0,0]=3 4593 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,1,0,0,0,0|1,0,0]=3 4594 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,1,0,0,0,0|1,0,0]=3 4595 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,1,0,0,0,0|1,0,0]=3 4596 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,1,0,0,0,0|1,0,0]=3 4597 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,1,0,0,0,0|1,0,0]=3 4598 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [1,1,0,0,0,0|2,0,0]=4 4599 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,1,0,0,0,0|1,0,0]=3 4600 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,1,0,0,0,0|1,0,0]=3 4601 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,1,0,0,0,0|1,0,0]=3 4602 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [1,1,0,0,0,0|2,0,0]=4 4603 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [1,1,0,0,0,0|2,0,0]=4 4604 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,1,0,0,0,0|1,0,0]=3 4605 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,1,0,0,0,0|1,0,0]=3 4606 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [1,1,0,0,0,0|2,0,0]=4 4607 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [1,1,0,0,0,0|2,0,0]=4 4608 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [1,1,0,0,0,0|0,0,2]=4 4609 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [1,1,0,0,0,0|0,0,2]=4 4610 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,1,0,0,0,0|1,0,0]=3 4611 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,1,0,0,0,0|1,0,0]=3 4612 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [1,1,0,0,0,0|2,0,0]=4 4613 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [1,1,0,0,0,0|2,0,0]=4 4614 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [1,1,0,0,0,0|2,0,0]=4 4615 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,1,0,0,0,0|2,0,0]=4 4616 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,1,0,0,0,0|2,0,0]=4 4617 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,1,0,0,0,0|2,0,0]=4 4618 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,1,0,0,0,0|2,0,0]=4 4619 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [1,1,0,0,0,0|2,0,0]=4 4620 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [1,1,0,0,0,0|2,0,0]=4 4621 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [1,1,0,0,0,0|2,0,0]=4 4622 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [1,1,0,0,0,0|0,0,2]=4 4623 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [1,1,0,0,0,0|0,0,2]=4 4624 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [1,1,0,0,0,0|2,0,0]=4 4625 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,1,0,0,0,0|1,0,0]=3 4626 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,1,0,0,0,0|1,0,0]=3 4627 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,1,0,0,0,0|1,0,0]=3 4628 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [1,1,0,0,0,0|2,0,0]=4 4629 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [1,1,0,0,0,0|2,0,0]=4 4630 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [1,1,0,0,0,0|2,0,0]=4 4631 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,1,0,0,0,0|2,0,0]=4 4632 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,1,0,0,0,0|2,0,0]=4 4633 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [1,1,0,0,0,0|2,0,0]=4 4634 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [1,1,0,0,0,0|0,0,2]=4 4635 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [1,1,0,0,0,0|0,0,2]=4 4636 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,1,0,0,0,0|1,0,0]=3 4637 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,1,0,0,0,0|1,0,0]=3 4638 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [1,1,0,0,0,0|2,0,0]=4 4639 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [1,1,0,0,0,0|2,0,0]=4 4640 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,1,0,0,0,0|2,0,0]=4 4641 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,1,0,0,0,0|2,0,0]=4 4642 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [1,1,0,0,0,0|2,0,0]=4 4643 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [1,1,0,0,0,0|2,0,0]=4 4644 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [1,1,0,0,0,0|2,0,0]=4 4645 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [1,1,0,0,0,0|2,0,0]=4 4646 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,1,0,0,0,0|1,0,0]=3 4647 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,1,0,0,0,0|1,0,0]=3 4648 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,1,0,0,0,0|1,0,0]=3 4649 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [1,1,0,0,0,0|2,0,0]=4 4650 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [1,1,0,0,0,0|2,0,0]=4 4651 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [1,1,0,0,0,0|2,0,0]=4 4652 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [1,1,0,0,0,0|2,0,0]=4 4653 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [1,1,0,0,0,0|2,0,0]=4 4654 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [1,1,0,0,0,0|2,0,0]=4 4655 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [1,1,0,0,0,0|2,0,0]=4 4656 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [1,1,0,0,0,0|2,0,0]=4 4657 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [1,1,0,0,0,0|2,0,0]=4 4658 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,1,0,0,0,0|1,0,0]=3 4659 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,1,0,0,0,0|1,0,0]=3 4660 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,1,0,0,0,0|1,0,0]=3 4661 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [1,1,0,0,0,0|2,0,0]=4 4662 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [1,1,0,0,0,0|2,0,0]=4 4663 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [1,1,0,0,0,0|2,0,0]=4 4664 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [1,1,0,0,0,0|2,0,0]=4 4665 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [1,1,0,0,0,0|2,0,0]=4 4666 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [1,1,0,0,0,0|2,0,0]=4 4667 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [1,1,0,0,0,0|2,0,0]=4 4668 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [1,1,0,0,0,0|2,0,0]=4 4669 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [1,1,0,0,0,0|2,0,0]=4 4670 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [1,1,0,0,0,0|2,0,0]=4 4671 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,1,0,0,0,0|1,0,0]=3 4672 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,1,0,0,0,0|1,0,0]=3 4673 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [1,1,0,0,0,0|2,0,0]=4 4674 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [1,1,0,0,0,0|2,0,0]=4 4675 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [1,1,0,0,0,0|2,0,0]=4 4676 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [1,1,0,0,0,0|2,0,0]=4 4677 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [1,1,0,0,0,0|2,0,0]=4 4678 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [1,1,0,0,0,0|2,0,0]=4 4679 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [1,1,0,0,0,0|2,0,0]=4 4680 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [1,1,0,0,0,0|2,0,0]=4 4681 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [1,1,0,0,0,0|2,0,0]=4 4682 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [1,1,0,0,0,0|2,0,0]=4 4683 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [1,1,0,0,0,0|0,0,2]=4 4684 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,1,0,0,0,0|1,0,0]=3 4685 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,1,0,0,0,0|1,0,0]=3 4686 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [1,1,0,0,0,0|2,0,0]=4 4687 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [1,1,0,0,0,0|2,0,0]=4 4688 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [1,1,0,0,0,0|2,0,0]=4 4689 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [1,1,0,0,0,0|2,0,0]=4 4690 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [1,1,0,0,0,0|2,0,0]=4 4691 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [1,1,0,0,0,0|2,0,0]=4 4692 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [1,1,0,0,0,0|2,0,0]=4 4693 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [1,1,0,0,0,0|2,0,0]=4 4694 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [1,1,0,0,0,0|2,0,0]=4 4695 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [1,1,0,0,0,0|2,0,0]=4 4696 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [1,1,0,0,0,0|2,0,0]=4 4697 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [1,1,0,0,0,0|2,0,0]=4 4698 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [1,1,0,0,0,0|2,0,0]=4 4699 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,1,0,0,0,0|1,0,0]=3 4700 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,1,0,0,0,0|1,0,0]=3 4701 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,1,0,0,0,0|1,0,0]=3 4702 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [1,1,0,0,0,0|2,0,0]=4 4703 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [1,1,0,0,0,0|2,0,0]=4 4704 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [1,1,0,0,0,0|2,0,0]=4 4705 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [1,1,0,0,0,0|2,0,0]=4 4706 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [1,1,0,0,0,0|2,0,0]=4 4707 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [1,1,0,0,0,0|2,0,0]=4 4708 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [1,1,0,0,0,0|2,0,0]=4 4709 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [1,1,0,0,0,0|2,0,0]=4 4710 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [1,1,0,0,0,0|2,0,0]=4 4711 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [1,1,0,0,0,0|2,0,0]=4 4712 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [1,1,0,0,0,0|2,0,0]=4 4713 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [1,1,0,0,0,0|2,0,0]=4 4714 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [1,1,0,0,0,0|2,0,0]=4 4715 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [1,1,0,0,0,0|2,0,0]=4 4716 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [1,1,0,0,0,0|2,0,0]=4 4717 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [1,1,0,0,0,0|2,0,0]=4 4718 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [1,1,0,0,0,0|2,0,0]=4 4719 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [1,1,0,0,0,0|2,0,0]=4 4720 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [1,1,0,0,0,0|2,0,0]=4 4721 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [1,1,0,0,0,0|2,0,0]=4 4722 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [1,1,0,0,0,0|2,0,0]=4 4723 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [1,1,0,0,0,0|0,0,2]=4 4724 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [1,1,0,0,0,0|0,0,2]=4 4725 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,1,0,0,0,0|1,0,0]=3 4726 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,1,0,0,0,0|1,0,0]=3 4727 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [1,1,0,0,0,0|2,0,0]=4 4728 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [1,1,0,0,0,0|2,0,0]=4 4729 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [1,1,0,0,0,0|2,0,0]=4 4730 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [1,1,0,0,0,0|2,0,0]=4 4731 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [1,1,0,0,0,0|2,0,0]=4 4732 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [1,1,0,0,0,0|2,0,0]=4 4733 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [1,1,0,0,0,0|2,0,0]=4 4734 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [1,1,0,0,0,0|2,0,0]=4 4735 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [1,1,0,0,0,0|2,0,0]=4 4736 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [1,1,0,0,0,0|2,0,0]=4 4737 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [1,1,0,0,0,0|2,0,0]=4 4738 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [1,1,0,0,0,0|2,0,0]=4 4739 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [1,1,0,0,0,0|2,0,0]=4 4740 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [1,1,0,0,0,0|2,0,0]=4 4741 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [1,1,0,0,0,0|2,0,0]=4 4742 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [1,1,0,0,0,0|2,0,0]=4 4743 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,1,0,0,0,0|2,0,0]=4 4744 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,1,0,0,0,0|2,0,0]=4 4745 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [1,1,0,0,0,0|2,0,0]=4 4746 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [1,1,0,0,0,0|2,0,0]=4 4747 B8R0.4 CC#CCCOCC=O 34a_100000750427_200009817547 [1,1,0,0,0,0|0,0,2]=4 4748 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [1,1,0,0,0,0|0,0,2]=4 4749 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [1,1,0,0,0,0|0,0,2]=4 4750 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [1,1,0,0,0,0|0,0,2]=4 4751 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,1,0,0,0,0|1,0,1]=4 4752 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [1,1,0,0,0,0|1,0,1]=4 4753 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [1,1,0,0,0,0|1,0,1]=4 4754 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [1,1,0,0,0,0|1,0,1]=4 4755 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [1,1,0,0,0,0|1,0,1]=4 4756 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [1,1,0,0,0,0|1,0,1]=4 4757 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [1,1,0,0,0,0|1,0,1]=4 4758 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,1,0,0,0,0|2,0,0]=4 4759 B8R0.4 CCC#CCOCC=O 34a_100000032950_200009817547 [1,1,0,0,0,0|0,0,2]=4 4760 B8R0.4 CCC#CCSCC=O 62a_100009813939_200015260668 [1,1,0,0,0,0|0,0,2]=4 4761 B8R0.4 CCC#CCSCC=O 62a_200015260668_100009813939 [1,1,0,0,0,0|0,0,2]=4 4762 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,1,0,0,0,0|1,0,1]=4 4763 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,1,0,0,0,0|1,0,1]=4 4764 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,1,0,0,0,0|1,0,1]=4 4765 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,1,0,0,0,0|1,0,1]=4 4766 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,1,0,0,0,0|1,0,1]=4 4767 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,1,0,0,0,0|0,0,1]=3 4768 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,1,0,0,0,0|0,0,1]=3 4769 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,1,0,0,0,0|0,0,1]=3 4770 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,1,0,0,0,0|0,0,1]=3 4771 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,1,0,0,0,0|0,0,1]=3 4772 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,1,0,0,0,0|0,1,1]=4 4773 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,1,0,0,0,0|0,1,1]=4 4774 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,1,0,0,0,0|0,1,1]=4 4775 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,1,0,0,0,0|0,1,1]=4 4776 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,1,0,0,0,0|1,0,1]=4 4777 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,1,0,0,0,0|1,0,1]=4 4778 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,1,0,0,0,0|1,0,1]=4 4779 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,1,0,0,0,0|1,0,1]=4 4780 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,1,0,0,0,0|1,0,1]=4 4781 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,1,0,0,0,0|1,0,1]=4 4782 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,1,0,0,0,0|1,0,1]=4 4783 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,1,0,0,0,0|1,0,1]=4 4784 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,1,0,0,0,0|1,0,1]=4 4785 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,1,0,0,0,0|1,0,1]=4 4786 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,1,0,0,0,0|1,0,1]=4 4787 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [1,1,0,0,0,0|1,0,1]=4 4788 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [1,1,0,0,0,0|0,0,0]=2 4789 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,1,0,0,0,0|1,0,1]=4 4790 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,1,0,0,0,0|1,0,1]=4 4791 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,1,0,0,0,0|1,0,1]=4 4792 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,1,0,0,0,0|0,0,1]=3 4793 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,1,0,0,0,0|0,0,1]=3 4794 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,1,0,0,0,0|0,0,1]=3 4795 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,1,0,0,0,0|1,0,1]=4 4796 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,1,0,0,0,0|2,0,0]=4 4797 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [1,1,0,0,0,0|1,0,1]=4 4798 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,1,0,0,0,0|0,0,0]=2 4799 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,1,0,0,0,0|0,0,0]=2 4800 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,1,0,0,0,0|1,0,1]=4 4801 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,1,0,0,0,0|1,0,1]=4 4802 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,1,0,0,0,0|1,0,1]=4 4803 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,1,0,0,0,0|1,0,1]=4 4804 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,1,0,0,0,0|1,0,1]=4 4805 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,1,0,0,0,0|1,0,1]=4 4806 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,1,0,0,0,0|1,0,1]=4 4807 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,1,0,0,0,0|0,0,1]=3 4808 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,1,0,0,0,0|0,0,1]=3 4809 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,1,0,0,0,0|2,0,0]=4 4810 B8R0.4 CCCCCSCC#N 62a_100000210326_100011215382 [1,1,0,0,0,0|1,0,1]=4 4811 B8R0.4 CCCCCSCC#N 62a_100011215382_100000210326 [1,1,0,0,0,0|1,0,1]=4 4812 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [1,1,0,0,0,0|0,0,0]=2 4813 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [1,1,0,0,0,0|0,0,0]=2 4814 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,1,0,0,0,0|1,0,1]=4 4815 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,1,0,0,0,0|1,0,1]=4 4816 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,1,0,0,0,0|1,0,1]=4 4817 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,1,0,0,0,0|1,0,1]=4 4818 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,1,0,0,0,0|0,0,1]=3 4819 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,1,0,0,0,0|0,0,1]=3 4820 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,1,0,0,0,0|1,0,1]=4 4821 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,1,0,0,0,0|1,0,1]=4 4822 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,1,0,0,0,0|2,0,0]=4 4823 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,1,0,0,0,0|2,0,0]=4 4824 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [1,1,0,0,0,0|1,0,1]=4 4825 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [1,1,0,0,0,0|1,0,1]=4 4826 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,1,0,0,0,0|1,0,1]=4 4827 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,1,0,0,0,0|1,0,1]=4 4828 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [1,1,0,0,0,0|1,0,1]=4 4829 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [1,1,0,0,0,0|1,0,1]=4 4830 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [1,1,0,0,0,0|1,0,1]=4 4831 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [1,1,0,0,0,0|1,0,1]=4 4832 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [1,1,0,0,0,0|0,0,1]=3 4833 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [1,1,0,0,0,0|0,0,1]=3 4834 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [1,1,0,0,0,0|1,0,1]=4 4835 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [1,1,0,0,0,0|1,0,1]=4 4836 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [1,1,0,0,0,0|1,0,1]=4 4837 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [1,1,0,0,0,0|2,0,0]=4 4838 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [1,1,0,0,0,0|2,0,0]=4 4839 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [1,1,0,0,0,0|2,0,0]=4 4840 B8R0.4 CCCCOCCC#N 7a_100000210227_100000184422 [1,1,0,0,0,0|1,0,1]=4 4841 B8R0.4 CCCCOCCCBr 34a_100011217188_100000210210 [1,1,0,0,0,0|1,0,1]=4 4842 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,1,0,0,0,0|1,0,1]=4 4843 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,1,0,0,0,0|1,0,1]=4 4844 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [1,1,0,0,0,0|1,0,1]=4 4845 B8R0.4 CCCCOCCCF 34a_100000210227_100011934791 [1,1,0,0,0,0|1,0,1]=4 4846 B8R0.4 CCCCOCCCF 34a_100000759539_100000210210 [1,1,0,0,0,0|1,0,1]=4 4847 B8R0.4 CCCCOCCCF 7a_100000210227_100011934791 [1,1,0,0,0,0|1,0,1]=4 4848 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [1,1,0,0,0,0|1,0,1]=4 4849 B8R0.4 CCCCOCCCO 34a_100000210227_100000230001 [1,1,0,0,0,0|0,0,1]=3 4850 B8R0.4 CCCCOCCCO 7a_100000210227_100011215043 [1,1,0,0,0,0|0,0,1]=3 4851 B8R0.4 CCCCOCCNC 2230a_106832991635_100000743108 [1,1,0,0,0,0|2,0,0]=4 4852 B8R0.4 CCCCOCCNC 34a_100102657272_100000743108 [1,1,0,0,0,0|2,0,0]=4 4853 B8R0.4 CCCCOCCNC 7a_106832991635_100000743108 [1,1,0,0,0,0|2,0,0]=4 4854 B8R0.4 CCCCOCCOC 34a_100000210227_100011201679 [1,1,0,0,0,0|1,0,1]=4 4855 B8R0.4 CCCCOCCOC 34a_100000210237_100000210210 [1,1,0,0,0,0|1,0,1]=4 4856 B8R0.4 CCCCOCCOC 34a_100000210238_200000210301 [1,1,0,0,0,0|1,0,1]=4 4857 B8R0.4 CCCCOCCOC 34a_100138415774_100000743108 [1,1,0,0,0,0|1,0,1]=4 4858 B8R0.4 CCCCOCCOC 7a_100000210227_100000233755 [1,1,0,0,0,0|1,0,1]=4 4859 B8R0.4 CCCCOCCOC 7a_100000210238_200000210301 [1,1,0,0,0,0|1,0,1]=4 4860 B8R0.4 CCCCOCCON 34a_100000700252_100000210210 [1,1,0,0,0,0|1,0,1]=4 4861 B8R0.4 CCCCOCCO[13CH3] 34a_100000210238_200025704644 [1,1,0,0,0,0|1,0,1]=4 4862 B8R0.4 CCCCOCCO[13CH3] 7a_100000210238_200025704644 [1,1,0,0,0,0|1,0,1]=4 4863 B8R0.4 CCCCOCCSC 34a_100000210227_100000212216 [1,1,0,0,0,0|2,0,0]=4 4864 B8R0.4 CCCCOCCSC 34a_100000230434_100000210210 [1,1,0,0,0,0|2,0,0]=4 4865 B8R0.4 CCCCOCCSC 62a_100000743108_200000210301 [1,1,0,0,0,0|2,0,0]=4 4866 B8R0.4 CCCCOCCSC 62a_200000210301_100000743108 [1,1,0,0,0,0|2,0,0]=4 4867 B8R0.4 CCCCOCCSC 7a_100000210227_100000212216 [1,1,0,0,0,0|2,0,0]=4 4868 B8R0.4 CCCCOCCSC 7a_100000230434_100000210211 [1,1,0,0,0,0|2,0,0]=4 4869 B8R0.4 CCCCOCCS[13CH3] 62a_100000743108_200025704644 [1,1,0,0,0,0|2,0,0]=4 4870 B8R0.4 CCCCOCCS[13CH3] 62a_200025704644_100000743108 [1,1,0,0,0,0|2,0,0]=4 4871 B8R0.4 CCCCSCCC#N 62a_100000210211_100011215226 [1,1,0,0,0,0|1,0,1]=4 4872 B8R0.4 CCCCSCCC#N 62a_100011215226_100000210210 [1,1,0,0,0,0|1,0,1]=4 4873 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,1,0,0,0,0|1,0,1]=4 4874 B8R0.4 CCCCSCCCF 62a_100000210211_100011934791 [1,1,0,0,0,0|1,0,1]=4 4875 B8R0.4 CCCCSCCCF 62a_100011934791_100000210210 [1,1,0,0,0,0|1,0,1]=4 4876 B8R0.4 CCCCSCCCO 62a_100000210211_100011215043 [1,1,0,0,0,0|0,0,1]=3 4877 B8R0.4 CCCCSCCCO 62a_100011215043_100000210210 [1,1,0,0,0,0|0,0,1]=3 4878 B8R0.4 CCCCSCCNC 2230a_100025743550_200000210301 [1,1,0,0,0,0|2,0,0]=4 4879 B8R0.4 CCCCSCCN[13CH3] 2230a_100025743550_200025704644 [1,1,0,0,0,0|2,0,0]=4 4880 B8R0.4 CCCCSCCOC 34a_200000230436_200000210301 [1,1,0,0,0,0|1,0,1]=4 4881 B8R0.4 CCCCSCCOC 62a_100000210211_100000233755 [1,1,0,0,0,0|1,0,1]=4 4882 B8R0.4 CCCCSCCOC 62a_100000233755_100000210210 [1,1,0,0,0,0|1,0,1]=4 4883 B8R0.4 CCCCSCCOC 7a_200000230436_200000210301 [1,1,0,0,0,0|1,0,1]=4 4884 B8R0.4 CCCCSCCO[13CH3] 34a_200000230436_200025704644 [1,1,0,0,0,0|1,0,1]=4 4885 B8R0.4 CCCCSCCO[13CH3] 7a_200000230436_200025704644 [1,1,0,0,0,0|1,0,1]=4 4886 B8R0.4 CCCCSCCSC 62a_100000210211_100000751147 [1,1,0,0,0,0|2,0,0]=4 4887 B8R0.4 CCCCSCCSC 62a_100000212216_100000210210 [1,1,0,0,0,0|2,0,0]=4 4888 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,1,0,0,0,0|0,0,1]=3 4889 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,1,0,0,0,0|0,0,1]=3 4890 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,1,0,0,0,0|1,0,1]=4 4891 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,1,0,0,0,0|2,0,0]=4 4892 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,1,0,0,0,0|1,0,1]=4 4893 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,1,0,0,0,0|1,0,1]=4 4894 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,1,0,0,0,0|1,0,1]=4 4895 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,1,0,0,0,0|1,0,1]=4 4896 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,1,0,0,0,0|1,0,1]=4 4897 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,1,0,0,0,0|1,0,1]=4 4898 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,1,0,0,0,0|1,0,1]=4 4899 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,1,0,0,0,0|1,0,1]=4 4900 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,1,0,0,0,0|0,0,1]=3 4901 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,1,0,0,0,0|2,0,0]=4 4902 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,1,0,0,0,0|2,0,0]=4 4903 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,1,0,0,0,0|2,0,0]=4 4904 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,1,0,0,0,0|2,0,0]=4 4905 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,1,0,0,0,0|2,0,0]=4 4906 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,1,0,0,0,0|1,0,1]=4 4907 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,1,0,0,0,0|1,0,1]=4 4908 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,1,0,0,0,0|2,0,0]=4 4909 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,1,0,0,0,0|2,0,0]=4 4910 B8R0.4 CCCSCCCC#N 62a_100000210303_100000687738 [1,1,0,0,0,0|1,0,1]=4 4911 B8R0.4 CCCSCCCC#N 62a_100000687738_100000210303 [1,1,0,0,0,0|1,0,1]=4 4912 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [1,1,0,0,0,0|0,0,0]=2 4913 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [1,1,0,0,0,0|0,0,0]=2 4914 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,1,0,0,0,0|1,0,1]=4 4915 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,1,0,0,0,0|1,0,1]=4 4916 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,1,0,0,0,0|0,0,1]=3 4917 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,1,0,0,0,0|0,0,1]=3 4918 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,1,0,0,0,0|1,0,1]=4 4919 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,1,0,0,0,0|1,0,1]=4 4920 B8R0.4 CCNCCCCC#N 2230a_100015525214_100000211819 [1,1,0,0,0,0|1,0,1]=4 4921 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [1,1,0,0,0,0|0,0,0]=2 4922 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,1,0,0,0,0|1,0,1]=4 4923 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,1,0,0,0,0|0,0,1]=3 4924 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,1,0,0,0,0|0,0,1]=3 4925 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,1,0,0,0,0|0,0,1]=3 4926 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,1,0,0,0,0|1,0,1]=4 4927 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [1,1,0,0,0,0|1,0,1]=4 4928 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [1,1,0,0,0,0|1,0,1]=4 4929 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [1,1,0,0,0,0|1,0,1]=4 4930 B8R0.4 CCNCCSCCO 2230a_100011219999_100000210202 [1,1,0,0,0,0|1,0,1]=4 4931 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,1,0,0,0,0|1,0,1]=4 4932 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,1,0,0,0,0|1,0,1]=4 4933 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,1,0,0,0,0|1,0,1]=4 4934 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,1,0,0,0,0|1,0,1]=4 4935 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,1,0,0,0,0|1,0,1]=4 4936 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,1,0,0,0,0|1,0,1]=4 4937 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,1,0,0,0,0|1,0,1]=4 4938 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,1,0,0,0,0|1,0,1]=4 4939 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,1,0,0,0,0|0,0,1]=3 4940 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,1,0,0,0,0|1,0,1]=4 4941 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,1,0,0,0,0|1,0,1]=4 4942 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,1,0,0,0,0|2,0,0]=4 4943 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,1,0,0,0,0|2,0,0]=4 4944 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [1,1,0,0,0,0|1,0,0]=3 4945 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [1,1,0,0,0,0|1,0,0]=3 4946 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [1,1,0,0,0,0|1,0,1]=4 4947 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [1,1,0,0,0,0|1,0,1]=4 4948 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [1,1,0,0,0,0|1,0,1]=4 4949 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [1,1,0,0,0,0|1,0,1]=4 4950 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,1,0,0,0,0|1,0,0]=3 4951 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,1,0,0,0,0|1,0,0]=3 4952 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,1,0,0,0,0|1,0,1]=4 4953 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,1,0,0,0,0|1,0,1]=4 4954 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,1,0,0,0,0|1,0,1]=4 4955 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [1,1,0,0,0,0|1,0,0]=3 4956 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [1,1,0,0,0,0|1,0,0]=3 4957 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [1,1,0,0,0,0|1,0,1]=4 4958 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [1,1,0,0,0,0|1,0,1]=4 4959 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [1,1,0,0,0,0|1,0,1]=4 4960 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [1,1,0,0,0,0|1,0,1]=4 4961 B8R0.4 CCSCCCCC#N 62a_100000210202_100000211819 [1,1,0,0,0,0|1,0,1]=4 4962 B8R0.4 CCSCCCCC#N 62a_100011219923_100000210202 [1,1,0,0,0,0|1,0,1]=4 4963 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [1,1,0,0,0,0|0,0,0]=2 4964 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [1,1,0,0,0,0|0,0,0]=2 4965 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,1,0,0,0,0|1,0,1]=4 4966 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,1,0,0,0,0|1,0,1]=4 4967 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,1,0,0,0,0|0,0,1]=3 4968 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,1,0,0,0,0|0,0,1]=3 4969 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,1,0,0,0,0|1,0,1]=4 4970 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,1,0,0,0,0|1,0,1]=4 4971 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [1,1,0,0,0,0|1,0,0]=3 4972 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [1,1,0,0,0,0|1,0,1]=4 4973 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [1,1,0,0,0,0|1,0,1]=4 4974 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [1,1,0,0,0,0|1,0,1]=4 4975 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [1,1,0,0,0,0|1,0,0]=3 4976 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [1,1,0,0,0,0|1,0,0]=3 4977 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [1,1,0,0,0,0|1,0,1]=4 4978 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [1,1,0,0,0,0|1,0,1]=4 4979 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [1,1,0,0,0,0|1,0,1]=4 4980 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [1,1,0,0,0,0|1,0,1]=4 4981 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [1,1,0,0,0,0|1,0,0]=3 4982 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [1,1,0,0,0,0|1,0,0]=3 4983 B8R0.4 CCSCCSCCO 62a_100000211926_100000757381 [1,1,0,0,0,0|1,0,1]=4 4984 B8R0.4 CCSCCSCCO 62a_100000757381_100000211926 [1,1,0,0,0,0|1,0,1]=4 4985 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [1,1,0,0,0,0|1,0,1]=4 4986 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [1,1,0,0,0,0|1,0,1]=4 4987 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [1,1,0,0,0,0|0,0,0]=2 4988 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [1,1,0,0,0,0|0,0,0]=2 4989 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [1,1,0,0,0,0|1,0,1]=4 4990 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [1,1,0,0,0,0|1,0,1]=4 4991 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [1,1,0,0,0,0|1,0,1]=4 4992 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [1,1,0,0,0,0|0,0,1]=3 4993 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [1,1,0,0,0,0|0,0,1]=3 4994 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [1,1,0,0,0,0|0,0,1]=3 4995 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [1,1,0,0,0,0|0,0,1]=3 4996 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [1,1,0,0,0,0|0,0,1]=3 4997 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [1,1,0,0,0,0|1,0,1]=4 4998 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [1,1,0,0,0,0|1,0,1]=4 4999 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [1,1,0,0,0,0|1,0,1]=4 5000 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [1,1,0,0,0,0|1,0,1]=4 5001 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [1,1,0,0,0,0|1,0,0]=3 5002 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [1,1,0,0,0,0|1,0,1]=4 5003 B8R0.4 COCCCCCCBr 34a_100011215345_200000210301 [1,1,0,0,0,0|1,0,1]=4 5004 B8R0.4 COCCCCCCBr 7a_100011215345_200000210301 [1,1,0,0,0,0|1,0,1]=4 5005 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [1,1,0,0,0,0|1,0,1]=4 5006 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [1,1,0,0,0,0|1,0,1]=4 5007 B8R0.4 COCCCCCCF 34a_100000732779_200000210301 [1,1,0,0,0,0|1,0,1]=4 5008 B8R0.4 COCCCCCCF 34a_100138415774_100015922095 [1,1,0,0,0,0|1,0,1]=4 5009 B8R0.4 COCCCCCCF 7a_100000732779_200000210301 [1,1,0,0,0,0|1,0,1]=4 5010 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [1,1,0,0,0,0|1,0,1]=4 5011 B8R0.4 COCCCCCCO 34a_100138415774_100000766143 [1,1,0,0,0,0|0,0,1]=3 5012 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [1,1,0,0,0,0|1,0,1]=4 5013 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [1,1,0,0,0,0|1,0,1]=4 5014 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [1,1,0,0,0,0|1,0,0]=3 5015 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [1,1,0,0,0,0|1,0,1]=4 5016 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [1,1,0,0,0,0|1,0,1]=4 5017 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [1,1,0,0,0,0|1,0,1]=4 5018 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [1,1,0,0,0,0|1,0,0]=3 5019 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [1,1,0,0,0,0|1,0,1]=4 5020 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [1,1,0,0,0,0|1,0,0]=3 5021 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [1,1,0,0,0,0|1,0,0]=3 5022 B8R0.4 COCCCSCCO 62a_100000211926_100000709357 [1,1,0,0,0,0|1,0,1]=4 5023 B8R0.4 COCCCSCCO 62a_100000709357_100000211926 [1,1,0,0,0,0|1,0,1]=4 5024 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [1,1,0,0,0,0|1,0,1]=4 5025 B8R0.4 COCCOCCCO 34a_100000210237_100000230001 [1,1,0,0,0,0|1,0,1]=4 5026 B8R0.4 COCCSCCCO 62a_100000233755_100011215043 [1,1,0,0,0,0|1,0,1]=4 5027 B8R0.4 COCCSCCCO 62a_100011215043_100000233755 [1,1,0,0,0,0|1,0,1]=4 5028 B8R0.4 COCNCCCCO 2230a_100000750430_100000766300 [1,1,0,0,0,0|1,0,1]=4 5029 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [1,1,0,0,0,0|1,0,0]=3 5030 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [1,1,0,0,0,0|1,0,0]=3 5031 B8R0.4 COCSCCCCO 62a_100000210776_100000766300 [1,1,0,0,0,0|1,0,1]=4 5032 B8R0.4 COCSCCCCO 62a_100000766300_100000210776 [1,1,0,0,0,0|1,0,1]=4 5033 B8R0.4 CSCCCCCC#N 62a_100009813376_200000210301 [1,1,0,0,0,0|1,0,1]=4 5034 B8R0.4 CSCCCCCC#N 62a_200000210301_100009813376 [1,1,0,0,0,0|1,0,1]=4 5035 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [1,1,0,0,0,0|0,0,0]=2 5036 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [1,1,0,0,0,0|0,0,0]=2 5037 B8R0.4 CSCCCCCCF 62a_100015922095_200000210301 [1,1,0,0,0,0|1,0,1]=4 5038 B8R0.4 CSCCCCCCF 62a_200000210301_100015922095 [1,1,0,0,0,0|1,0,1]=4 5039 B8R0.4 CSCCCCCCO 62a_100000766143_200000210301 [1,1,0,0,0,0|0,0,1]=3 5040 B8R0.4 CSCCCCCCO 62a_200000210301_100000766143 [1,1,0,0,0,0|0,0,1]=3 5041 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [1,1,0,0,0,0|1,0,0]=3 5042 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [1,1,0,0,0,0|1,0,1]=4 5043 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,1,0,0,0,0|1,0,0]=3 5044 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,1,0,0,0,0|1,0,0]=3 5045 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [1,1,0,0,0,0|1,0,1]=4 5046 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [1,1,0,0,0,0|1,0,1]=4 5047 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [1,1,0,0,0,0|1,0,1]=4 5048 B8R0.4 CSCCOCCCO 34a_100000230434_100000230001 [1,1,0,0,0,0|1,0,1]=4 5049 B8R0.4 CSCCOCCCO 7a_100000230434_100011215043 [1,1,0,0,0,0|1,0,1]=4 5050 B8R0.4 CSCCSCCCO 62a_100000212216_100011215043 [1,1,0,0,0,0|1,0,1]=4 5051 B8R0.4 CSCCSCCCO 62a_100011215043_100000751147 [1,1,0,0,0,0|1,0,1]=4 5052 B8R0.4 CSCNCCCCO 2230a_100000750430_100011218213 [1,1,0,0,0,0|1,0,1]=4 5053 B8R0.4 CSCNCCCCO 34a_100000750430_100011218213 [1,1,0,0,0,0|1,0,1]=4 5054 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [1,1,0,0,0,0|1,0,0]=3 5055 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [1,1,0,0,0,0|1,0,0]=3 5056 B8R0.4 CSCSCCCCO 62a_100000210776_100011218213 [1,1,0,0,0,0|1,0,1]=4 5057 B8R0.4 CSCSCCCCO 62a_100011218213_100000210776 [1,1,0,0,0,0|1,0,1]=4 5058 B8R0.4 N#CCCCSCC=O 62a_100000687738_200015260668 [1,1,0,0,0,0|1,0,1]=4 5059 B8R0.4 N#CCCCSCC=O 62a_200015260668_100000687738 [1,1,0,0,0,0|1,0,1]=4 5060 B8R0.4 N#CCSCCCC=O 62a_100011215382_200011292268 [1,1,0,0,0,0|1,0,1]=4 5061 B8R0.4 N#CCSCCCC=O 62a_200011292268_100011215382 [1,1,0,0,0,0|1,0,1]=4 5062 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,1,0,0,0,0|1,0,0]=3 5063 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [1,1,0,0,0,0|1,0,1]=4 5064 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [1,1,0,0,0,0|1,0,1]=4 5065 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [1,1,0,0,0,0|1,0,1]=4 5066 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [1,1,0,0,0,0|1,0,0]=3 5067 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [1,1,0,0,0,0|1,0,0]=3 5068 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [1,1,0,0,0,0|1,0,0]=3 5069 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [1,1,0,0,0,0|1,0,1]=4 5070 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [1,1,0,0,0,0|1,0,1]=4 5071 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [1,1,0,0,0,0|1,0,0]=3 5072 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [1,1,0,0,0,0|1,0,0]=3 5073 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [1,1,0,0,0,0|1,0,0]=3 5074 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [1,1,0,0,0,0|1,0,0]=3 5075 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [1,1,0,0,0,0|1,0,0]=3 5076 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [1,1,0,0,0,0|1,0,0]=3 5077 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,1,0,0,0,0|1,0,0]=3 5078 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,1,0,0,0,0|1,0,0]=3 5079 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,1,0,0,0,0|1,0,0]=3 5080 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,1,0,0,0,0|1,0,0]=3 5081 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,1,0,0,0,0|1,0,0]=3 5082 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,1,0,0,0,0|1,0,0]=3 5083 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [1,1,0,0,0,0|1,0,0]=3 5084 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [1,1,0,0,0,0|1,0,0]=3 5085 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [1,1,0,0,0,0|1,0,0]=3 5086 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [1,1,0,0,0,0|1,0,0]=3 5087 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [1,1,0,0,0,0|1,0,1]=4 5088 B8R0.4 OCCCCCSCF 62a_100000746330_100015361967 [1,1,0,0,0,0|1,0,1]=4 5089 B8R0.4 OCCCCCSCF 62a_100015361967_100000746330 [1,1,0,0,0,0|1,0,1]=4 5090 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [1,1,0,0,0,0|1,0,1]=4 5091 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [1,1,0,0,0,0|1,0,1]=4 5092 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [1,1,0,0,0,0|1,0,1]=4 5093 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [1,1,0,0,0,0|1,0,1]=4 5094 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [1,1,0,0,0,0|1,0,1]=4 5095 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [1,1,0,0,0,0|1,0,1]=4 5096 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [1,1,0,0,0,0|1,0,1]=4 5097 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [1,1,0,0,0,0|1,0,1]=4 5098 B8R0.4 OCCCCSCCF 62a_100000210776_100011217306 [1,1,0,0,0,0|1,0,1]=4 5099 B8R0.4 OCCCCSCCF 62a_100011217306_100000210776 [1,1,0,0,0,0|1,0,1]=4 5100 B8R0.4 OCCCCSCCO 62a_100000210776_100000211926 [1,1,0,0,0,0|1,0,1]=4 5101 B8R0.4 OCCCCSCCO 62a_100000211926_100000210776 [1,1,0,0,0,0|1,0,1]=4 5102 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [1,1,0,0,0,0|1,0,1]=4 5103 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [1,1,0,0,0,0|1,0,1]=4 5104 B8R0.4 OCCCOCCCBr 34a_100011217188_100000230001 [1,1,0,0,0,0|1,0,1]=4 5105 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [1,1,0,0,0,0|1,0,1]=4 5106 B8R0.4 OCCCOCCCF 34a_100000759539_100000230001 [1,1,0,0,0,0|1,0,1]=4 5107 B8R0.4 OCCCSCCCF 62a_100011215043_100011934791 [1,1,0,0,0,0|1,0,1]=4 5108 B8R0.4 OCCCSCCCF 62a_100011934791_100011215043 [1,1,0,0,0,0|1,0,1]=4 5109 B8R0.4 OCCCSCCCO 62a_100011215043_100011215043 [1,1,0,0,0,0|1,0,1]=4 5110 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [1,1,0,0,0,0|1,0,1]=4 5111 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [1,1,0,0,0,0|1,0,1]=4 5112 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [1,1,0,0,0,0|1,0,1]=4 5113 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [1,1,0,0,0,0|1,0,1]=4 5114 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [1,1,0,0,0,0|1,0,1]=4 5115 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [1,1,0,0,0,0|1,0,1]=4 5116 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [1,1,0,0,0,0|1,0,1]=4 5117 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [1,1,0,0,0,0|1,0,1]=4 5118 B8R0.4 OCCSCCCCF 62a_100000211926_100000729493 [1,1,0,0,0,0|1,0,1]=4 5119 B8R0.4 OCCSCCCCF 62a_100000729493_100000211926 [1,1,0,0,0,0|1,0,1]=4 5120 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [1,1,0,0,0,0|0,0,1]=3 5121 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [1,1,0,0,0,0|0,0,1]=3 5122 B8R0.4 [13CH3]OCCCCCCBr 34a_100011215345_200025704644 [1,1,0,0,0,0|1,0,1]=4 5123 B8R0.4 [13CH3]OCCCCCCBr 7a_100011215345_200025704644 [1,1,0,0,0,0|1,0,1]=4 5124 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [1,1,0,0,0,0|1,0,1]=4 5125 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [1,1,0,0,0,0|1,0,1]=4 5126 B8R0.4 [13CH3]OCCCCCCF 34a_100000732779_200025704644 [1,1,0,0,0,0|1,0,1]=4 5127 B8R0.4 [13CH3]OCCCCCCF 7a_100000732779_200025704644 [1,1,0,0,0,0|1,0,1]=4 5128 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [1,1,0,0,0,0|1,0,1]=4 5129 B8R0.4 [13CH3]SCCCCCC#N 62a_100009813376_200025704644 [1,1,0,0,0,0|1,0,1]=4 5130 B8R0.4 [13CH3]SCCCCCC#N 62a_200025704644_100009813376 [1,1,0,0,0,0|1,0,1]=4 5131 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [1,1,0,0,0,0|0,0,0]=2 5132 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [1,1,0,0,0,0|0,0,0]=2 5133 B8R0.4 [13CH3]SCCCCCCF 62a_100015922095_200025704644 [1,1,0,0,0,0|1,0,1]=4 5134 B8R0.4 [13CH3]SCCCCCCF 62a_200025704644_100015922095 [1,1,0,0,0,0|1,0,1]=4 5135 B8R0.4 [13CH3]SCCCCCCO 62a_100000766143_200025704644 [1,1,0,0,0,0|0,0,1]=3 5136 B8R0.4 [13CH3]SCCCCCCO 62a_200025704644_100000766143 [1,1,0,0,0,0|0,0,1]=3 5137 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,1,0,0,0,0|1,0,1]=4 5138 B8R0.6 C=CC(C)COCCC 34a_100011215527_100000210303 [1,1,0,0,0,0|2,0,0]=4 5139 B8R0.6 C=CC(C)COCCC 7a_100011215527_100000210303 [1,1,0,0,0,0|2,0,0]=4 5140 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [1,1,0,0,0,0|2,0,0]=4 5141 B8R0.6 C=CC(C)SCCCC 62a_100011215867_100000210210 [1,1,0,0,0,0|2,0,0]=4 5142 B8R0.6 C=CC(O)COCCC 34a_100000210258_100000730141 [1,1,0,0,0,0|2,0,0]=4 5143 B8R0.6 C=CC(O)CSCCC 62a_100000210303_100000730141 [1,1,0,0,0,0|2,0,0]=4 5144 B8R0.6 C=CC(O)CSCCC 62a_100000730141_100000210303 [1,1,0,0,0,0|2,0,0]=4 5145 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,1,0,0,0,0|1,0,1]=4 5146 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,1,0,0,0,0|1,0,1]=4 5147 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [1,1,0,0,0,0|2,0,0]=4 5148 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [1,1,0,0,0,0|2,0,0]=4 5149 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [1,1,0,0,0,0|2,0,0]=4 5150 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [1,1,0,0,0,0|2,0,0]=4 5151 B8R0.6 C=CCCOC(C)CC 34a_100011205117_100011215416 [1,1,0,0,0,0|2,0,0]=4 5152 B8R0.6 C=CCCOC(C)CC 7a_100000210228_100000754431 [1,1,0,0,0,0|2,0,0]=4 5153 B8R0.6 C=CCCSC(C)CC 62a_100000754431_100000758301 [1,1,0,0,0,0|2,0,0]=4 5154 B8R0.6 C=CCCSC(C)CC 62a_100000758301_100000754431 [1,1,0,0,0,0|2,0,0]=4 5155 B8R0.6 C=CCNCC(C)CC 2230a_100020586998_100000748023 [1,1,0,0,0,0|2,0,0]=4 5156 B8R0.6 C=CCNCC(C)CC 2230a_100020588543_100000210623 [1,1,0,0,0,0|2,0,0]=4 5157 B8R0.6 C=CCNCC(C)CC 270004a_100020586998_100000243153 [1,1,0,0,0,0|2,0,0]=4 5158 B8R0.6 C=CCNCC(O)CC 2230a_100011218483_100000210623 [1,1,0,0,0,0|2,0,0]=4 5159 B8R0.6 C=CCNCC(O)CC 2230a_100020586998_100011218378 [1,1,0,0,0,0|2,0,0]=4 5160 B8R0.6 C=CCNC[C@@H](C)CC 2230a_100020586998_100009816398 [1,1,0,0,0,0|2,0,0]=4 5161 B8R0.6 C=CCOCC(C)CC 34a_200000210373_100000748023 [1,1,0,0,0,0|2,0,0]=4 5162 B8R0.6 C=CCOCC(O)CC 34a_200000210373_100011218378 [1,1,0,0,0,0|2,0,0]=4 5163 B8R0.6 C=CCOC[C@@H](C)CC 34a_200000210373_100009816398 [1,1,0,0,0,0|2,0,0]=4 5164 B8R0.6 C=CCOC[C@@H](C)CC 7a_100009816381_100015514636 [1,1,0,0,0,0|2,0,0]=4 5165 B8R0.6 C=CCSCC(C)CC 62a_100000210623_100000748023 [1,1,0,0,0,0|2,0,0]=4 5166 B8R0.6 C=CCSCC(C)CC 62a_100000748023_100000210623 [1,1,0,0,0,0|2,0,0]=4 5167 B8R0.6 C=CCSCC(O)CC 62a_100000210623_100011218378 [1,1,0,0,0,0|2,0,0]=4 5168 B8R0.6 C=CCSCC(O)CC 62a_100011218378_100000210623 [1,1,0,0,0,0|2,0,0]=4 5169 B8R0.6 C=CCSC[C@@H](C)CC 62a_100000210623_100009816398 [1,1,0,0,0,0|2,0,0]=4 5170 B8R0.6 C=CCSC[C@@H](C)CC 62a_100009816398_100000210623 [1,1,0,0,0,0|2,0,0]=4 5171 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [1,1,0,0,0,0|2,0,0]=4 5172 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|2,0,0]=4 5173 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|2,0,0]=4 5174 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,1,0,0,0,0|0,0,2]=4 5175 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,1,0,0,0,0|0,0,2]=4 5176 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [1,1,0,0,0,0|1,0,1]=4 5177 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [1,1,0,0,0,0|1,0,1]=4 5178 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [1,1,0,0,0,0|1,0,1]=4 5179 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,1,0,0,0,0|2,0,0]=4 5180 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,1,0,0,0,0|2,0,0]=4 5181 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [1,1,0,0,0,0|1,0,0]=3 5182 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [1,1,0,0,0,0|1,0,1]=4 5183 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [1,1,0,0,0,0|1,0,1]=4 5184 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [1,1,0,0,0,0|1,0,1]=4 5185 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [1,1,0,0,0,0|1,0,1]=4 5186 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [1,1,0,0,0,0|1,0,0]=3 5187 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [1,1,0,0,0,0|1,0,0]=3 5188 B8R0.6 CCC(C)CSCCO 62a_100000211926_100000748023 [1,1,0,0,0,0|1,0,1]=4 5189 B8R0.6 CCC(C)CSCCO 62a_100000748023_100000211926 [1,1,0,0,0,0|1,0,1]=4 5190 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [1,1,0,0,0,0|1,0,1]=4 5191 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [1,1,0,0,0,0|1,0,1]=4 5192 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [1,1,0,0,0,0|1,0,1]=4 5193 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [1,1,0,0,0,0|1,0,1]=4 5194 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [1,1,0,0,0,0|1,0,0]=3 5195 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [1,1,0,0,0,0|1,0,1]=4 5196 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [1,1,0,0,0,0|1,0,1]=4 5197 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [1,1,0,0,0,0|1,0,1]=4 5198 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [1,1,0,0,0,0|1,0,0]=3 5199 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [1,1,0,0,0,0|1,0,0]=3 5200 B8R0.6 CCC(O)CSCCO 62a_100000211926_100011218378 [1,1,0,0,0,0|1,0,1]=4 5201 B8R0.6 CCC(O)CSCCO 62a_100011218378_100000211926 [1,1,0,0,0,0|1,0,1]=4 5202 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,1,0,0,0,0|0,0,2]=4 5203 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,1,0,0,0,0|2,0,0]=4 5204 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,1,0,0,0,0|2,0,0]=4 5205 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,1,0,0,0,0|2,0,0]=4 5206 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,1,0,0,0,0|2,0,0]=4 5207 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,1,0,0,0,0|2,0,0]=4 5208 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,1,0,0,0,0|2,0,0]=4 5209 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,1,0,0,0,0|2,0,0]=4 5210 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,1,0,0,0,0|2,0,0]=4 5211 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,1,0,0,0,0|2,0,0]=4 5212 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,1,0,0,0,0|2,0,0]=4 5213 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,1,0,0,0,0|2,0,0]=4 5214 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,1,0,0,0,0|2,0,0]=4 5215 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,1,0,0,0,0|2,0,0]=4 5216 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,1,0,0,0,0|2,0,0]=4 5217 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,1,0,0,0,0|2,0,0]=4 5218 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [1,1,0,0,0,0|1,0,1]=4 5219 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [1,1,0,0,0,0|1,0,1]=4 5220 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [1,1,0,0,0,0|1,0,1]=4 5221 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [1,1,0,0,0,0|1,0,1]=4 5222 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [1,1,0,0,0,0|1,0,1]=4 5223 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [1,1,0,0,0,0|1,0,1]=4 5224 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [1,1,0,0,0,0|1,0,1]=4 5225 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [1,1,0,0,0,0|1,0,1]=4 5226 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [1,1,0,0,0,0|1,0,1]=4 5227 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [1,1,0,0,0,0|1,0,1]=4 5228 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [1,1,0,0,0,0|1,0,1]=4 5229 B8R0.6 CCCOCC(O)CO 34a_100000210258_100011219619 [1,1,0,0,0,0|1,0,1]=4 5230 B8R0.6 CCCOC[C@@H](C)CO 34a_100000210258_100000059175 [1,1,0,0,0,0|1,0,1]=4 5231 B8R0.6 CCCOC[C@@H](O)CO 34a_100000210258_100009815848 [1,1,0,0,0,0|1,0,1]=4 5232 B8R0.6 CCCSCC(O)CO 62a_100000210303_100011219619 [1,1,0,0,0,0|1,0,1]=4 5233 B8R0.6 CCCSCC(O)CO 62a_100011219619_100000210303 [1,1,0,0,0,0|1,0,1]=4 5234 B8R0.6 CCCSC[C@@H](C)CO 62a_100000059175_100000210303 [1,1,0,0,0,0|1,0,1]=4 5235 B8R0.6 CCCSC[C@@H](C)CO 62a_100000210303_100000059175 [1,1,0,0,0,0|1,0,1]=4 5236 B8R0.6 CCCSC[C@@H](O)CO 62a_100000210303_100009815848 [1,1,0,0,0,0|1,0,1]=4 5237 B8R0.6 CCCSC[C@@H](O)CO 62a_100009815848_100000210303 [1,1,0,0,0,0|1,0,1]=4 5238 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [1,1,0,0,0,0|1,0,0]=3 5239 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [1,1,0,0,0,0|1,0,0]=3 5240 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [1,1,0,0,0,0|1,0,1]=4 5241 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [1,1,0,0,0,0|1,0,1]=4 5242 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [1,1,0,0,0,0|1,0,1]=4 5243 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [1,1,0,0,0,0|1,0,1]=4 5244 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [1,1,0,0,0,0|1,0,1]=4 5245 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [1,1,0,0,0,0|1,0,1]=4 5246 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [1,1,0,0,0,0|1,0,1]=4 5247 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [1,1,0,0,0,0|1,0,1]=4 5248 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [1,1,0,0,0,0|1,0,1]=4 5249 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [1,1,0,0,0,0|1,0,1]=4 5250 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [1,1,0,0,0,0|1,0,1]=4 5251 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [1,1,0,0,0,0|1,0,1]=4 5252 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [1,1,0,0,0,0|1,0,0]=3 5253 B8R0.6 CC[C@H](C)COCCO 7a_100009816381_100000211926 [1,1,0,0,0,0|1,0,1]=4 5254 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [1,1,0,0,0,0|1,0,0]=3 5255 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [1,1,0,0,0,0|1,0,0]=3 5256 B8R0.6 CC[C@H](C)CSCCO 62a_100000211926_100009816398 [1,1,0,0,0,0|1,0,1]=4 5257 B8R0.6 CC[C@H](C)CSCCO 62a_100009816398_100000211926 [1,1,0,0,0,0|1,0,1]=4 5258 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [1,1,0,0,0,0|2,0,0]=4 5259 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [1,1,0,0,0,0|2,0,0]=4 5260 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [1,1,0,0,0,0|2,0,0]=4 5261 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [1,1,0,0,0,0|2,0,0]=4 5262 B8R0.6 NC[C@@H](F)COCC=O 34a_100015665980_200009817547 [1,1,0,0,0,0|2,0,0]=4 5263 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [1,1,0,0,0,0|2,0,0]=4 5264 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [1,1,0,0,0,0|2,0,0]=4 5265 B8R0.6 O=CCOCC(Cl)CCl 34a_100000033668_200009817547 [1,1,0,0,0,0|2,0,0]=4 5266 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [1,1,0,0,0,0|2,0,0]=4 5267 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [1,1,0,0,0,0|2,0,0]=4 5268 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [1,1,0,0,0,0|2,0,0]=4 5269 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [1,1,0,0,0,0|2,0,0]=4 5270 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [1,1,0,0,0,0|2,0,0]=4 5271 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [1,1,0,0,0,0|2,0,0]=4 5272 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|1,0,1]=4 5273 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|1,0,1]=4 5274 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|1,0,1]=4 5275 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [1,1,0,0,0,0|1,0,1]=4 5276 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [1,1,0,0,0,0|1,0,1]=4 5277 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,1,0,0,0,0|0,0,2]=4 5278 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|1,0,0]=3 5279 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|1,0,0]=3 5280 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|1,0,0]=3 5281 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 5282 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 5283 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 5284 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|2,0,0]=4 5285 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [1,1,0,0,0,0|2,0,0]=4 5286 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [1,1,0,0,0,0|2,0,0]=4 5287 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [1,1,0,0,0,0|2,0,0]=4 5288 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,1,0,0,0,0|1,0,0]=3 5289 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [1,1,0,0,0,0|1,0,1]=4 5290 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|2,0,0]=4 5291 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|2,0,0]=4 5292 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|2,0,0]=4 5293 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|2,0,0]=4 5294 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [1,1,0,0,0,0|2,0,0]=4 5295 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [1,1,0,0,0,0|2,0,0]=4 5296 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [1,1,0,0,0,0|2,0,0]=4 5297 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|1,0,0]=3 5298 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [1,1,0,0,0,0|2,0,0]=4 5299 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [1,1,0,0,0,0|2,0,0]=4 5300 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [1,1,0,0,0,0|2,0,0]=4 5301 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|1,0,0]=3 5302 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [1,1,0,0,0,0|2,0,0]=4 5303 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|1,0,0]=3 5304 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|1,0,0]=3 5305 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|1,0,0]=3 5306 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|1,0,0]=3 5307 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|1,0,0]=3 5308 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,1,0,0,0,0|2,0,0]=4 5309 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,1,0,0,0,0|2,0,0]=4 5310 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,1,0,0,0,0|2,0,0]=4 5311 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,1,0,0,0,0|2,0,0]=4 5312 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [1,1,0,0,0,0|1,0,0]=3 5313 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [1,1,0,0,0,0|2,0,0]=4 5314 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [1,1,0,0,0,0|2,0,0]=4 5315 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,1,0,0,0,0|2,0,0]=4 5316 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [1,1,0,0,0,0|2,0,0]=4 5317 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [1,1,0,0,0,0|2,0,0]=4 5318 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [1,1,0,0,0,0|1,0,1]=4 5319 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [1,1,0,0,0,0|1,0,1]=4 5320 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [1,1,0,0,0,0|2,0,0]=4 5321 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [1,1,0,0,0,0|2,0,0]=4 5322 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,1,0,0,0,0|2,0,0]=4 5323 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,1,0,0,0,0|2,0,0]=4 5324 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [1,1,0,0,0,0|2,0,0]=4 5325 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [1,1,0,0,0,0|2,0,0]=4 5326 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [1,1,0,0,0,0|2,0,0]=4 5327 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [1,1,0,0,0,0|2,0,0]=4 5328 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [1,1,0,0,0,0|1,0,1]=4 5329 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [1,1,0,0,0,0|1,0,1]=4 5330 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [1,1,0,0,0,0|1,0,0]=3 5331 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [1,1,0,0,0,0|1,0,0]=3 5332 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,1,0,0,0,0|2,0,0]=4 5333 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,1,0,0,0,0|2,0,0]=4 5334 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [1,1,0,0,0,0|2,0,0]=4 5335 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [1,1,0,0,0,0|2,0,0]=4 5336 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,1,0,0,0,0|2,0,0]=4 5337 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,1,0,0,0,0|2,0,0]=4 5338 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [1,1,0,0,0,0|2,0,0]=4 5339 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [1,1,0,0,0,0|2,0,0]=4 5340 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [1,1,0,0,0,0|2,0,0]=4 5341 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [1,1,0,0,0,0|2,0,0]=4 5342 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [1,1,0,0,0,0|1,0,1]=4 5343 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,1,0,0,0,0|1,0,0]=3 5344 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,1,0,0,0,0|1,0,0]=3 5345 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 5346 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 5347 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 5348 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,1,0,0,0,0|2,0,0]=4 5349 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [1,1,0,0,0,0|2,0,0]=4 5350 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [1,1,0,0,0,0|2,0,0]=4 5351 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [1,1,0,0,0,0|1,0,0]=3 5352 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [1,1,0,0,0,0|2,0,0]=4 5353 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [1,1,0,0,0,0|2,0,0]=4 5354 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [1,1,0,0,0,0|2,0,0]=4 5355 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [1,1,0,0,0,0|2,0,0]=4 5356 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [1,1,0,0,0,0|1,0,1]=4 5357 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [1,1,0,0,0,0|1,0,1]=4 5358 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,1,0,0,0,0|2,0,0]=4 5359 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,1,0,0,0,0|2,0,0]=4 5360 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,1,0,0,0,0|2,0,0]=4 5361 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [1,1,0,0,0,0|2,0,0]=4 5362 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [1,1,0,0,0,0|2,0,0]=4 5363 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [1,1,0,0,0,0|2,0,0]=4 5364 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [1,1,0,0,0,0|2,0,0]=4 5365 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [1,1,0,0,0,0|2,0,0]=4 5366 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [1,1,0,0,0,0|2,0,0]=4 5367 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [1,1,0,0,0,0|2,0,0]=4 5368 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [1,1,0,0,0,0|2,0,0]=4 5369 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,1,0,0,0,0|2,0,0]=4 5370 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,1,0,0,0,0|2,0,0]=4 5371 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [1,1,0,0,0,0|2,0,0]=4 5372 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [1,1,0,0,0,0|2,0,0]=4 5373 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,1,0,0,0,0|1,0,1]=4 5374 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,1,0,0,0,0|1,0,1]=4 5375 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,1,0,0,0,0|1,0,1]=4 5376 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|1,0,0]=3 5377 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|1,0,0]=3 5378 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|1,0,0]=3 5379 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,1,0,0,0,0|2,0,0]=4 5380 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,1,0,0,0,0|2,0,0]=4 5381 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,1,0,0,0,0|2,0,0]=4 5382 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,1,0,0,0,0|2,0,0]=4 5383 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,1,0,0,0,0|2,0,0]=4 5384 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,1,0,0,0,0|2,0,0]=4 5385 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,1,0,0,0,0|2,0,0]=4 5386 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,1,0,0,0,0|2,0,0]=4 5387 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,1,0,0,0,0|2,0,0]=4 5388 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,1,0,0,0,0|2,0,0]=4 5389 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|2,0,0]=4 5390 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|2,0,0]=4 5391 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 5392 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 5393 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,1,0,0,0,0|2,0,0]=4 5394 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,1,0,0,0,0|2,0,0]=4 5395 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|2,0,0]=4 5396 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|2,0,0]=4 5397 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [1,1,0,0,0,0|2,0,0]=4 5398 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [1,1,0,0,0,0|1,0,1]=4 5399 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|1,0,0]=3 5400 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [1,1,0,0,0,0|2,0,0]=4 5401 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [1,1,0,0,0,0|2,0,0]=4 5402 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [1,1,0,0,0,0|2,0,0]=4 5403 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [1,1,0,0,0,0|1,0,0]=3 5404 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [1,1,0,0,0,0|1,0,1]=4 5405 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [1,1,0,0,0,0|2,0,0]=4 5406 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,1,0,0,0,0|2,0,0]=4 5407 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [1,1,0,0,0,0|1,0,1]=4 5408 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [1,1,0,0,0,0|2,0,0]=4 5409 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [1,1,0,0,0,0|2,0,0]=4 5410 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [1,1,0,0,0,0|1,0,1]=4 5411 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [1,1,0,0,0,0|1,0,1]=4 5412 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [1,1,0,0,0,0|2,0,0]=4 5413 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [1,1,0,0,0,0|2,0,0]=4 5414 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [1,1,0,0,0,0|2,0,0]=4 5415 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [1,1,0,0,0,0|2,0,0]=4 5416 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 5417 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [1,1,0,0,0,0|2,0,0]=4 5418 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [1,1,0,0,0,0|2,0,0]=4 5419 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [1,1,0,0,0,0|2,0,0]=4 5420 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [1,1,0,0,0,0|2,0,0]=4 5421 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [1,1,0,0,0,0|1,0,1]=4 5422 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [1,1,0,0,0,0|2,0,0]=4 5423 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [1,1,0,0,0,0|2,0,0]=4 5424 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [1,1,0,0,0,0|2,0,0]=4 5425 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [1,1,0,0,0,0|1,0,0]=3 5426 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [1,1,0,0,0,0|1,0,1]=4 5427 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [1,1,0,0,0,0|2,0,0]=4 5428 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [1,1,0,0,0,0|2,0,0]=4 5429 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [1,1,0,0,0,0|1,0,1]=4 5430 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [1,1,0,0,0,0|1,0,1]=4 5431 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [1,1,0,0,0,0|2,0,0]=4 5432 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,1,0,0,0,0|1,0,0]=3 5433 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,1,0,0,0,0|1,0,0]=3 5434 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [1,1,0,0,0,0|2,0,0]=4 5435 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [1,1,0,0,0,0|1,0,1]=4 5436 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [1,1,0,0,0,0|2,0,0]=4 5437 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [1,1,0,0,0,0|1,0,1]=4 5438 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [1,1,0,0,0,0|2,0,0]=4 5439 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [1,1,0,0,0,0|1,0,0]=3 5440 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [1,1,0,0,0,0|2,0,0]=4 5441 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [1,1,0,0,0,0|2,0,0]=4 5442 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [1,1,0,0,0,0|1,0,1]=4 5443 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [1,1,0,0,0,0|1,0,1]=4 5444 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [1,1,0,0,0,0|2,0,0]=4 5445 B10R0.3 C#CCN(C)CCCC(=O)O 269956a_100000719178_100000184674 [0,2,0,0,0,0|0,0,2]=4 5446 B10R0.3 C=C(Br)CCOC(C)CCC 34a_100009813270_100000766640 [0,2,0,0,0,0|2,0,0]=4 5447 B10R0.3 C=C(C)CCNC(C)CCC 2230a_100000741246_100000730704 [0,2,0,0,0,0|2,0,0]=4 5448 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764384_100000730704 [0,2,0,0,0,0|2,0,0]=4 5449 B10R0.3 C=C(C)CCOC(C)CCC 34a_100000764851_100000766640 [0,2,0,0,0,0|2,0,0]=4 5450 B10R0.3 C=C(C)CCOC(C)CCC 7a_100000764384_100000730704 [0,2,0,0,0,0|2,0,0]=4 5451 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000730704_100000766640 [0,2,0,0,0,0|2,0,0]=4 5452 B10R0.3 C=C(C)CCSC(C)CCC 62a_100000766640_100000730704 [0,2,0,0,0,0|2,0,0]=4 5453 B10R0.3 C=C(C)COCC(C)CCC 34a_100000210245_100011216630 [0,2,0,0,0,0|2,0,0]=4 5454 B10R0.3 C=C(C)COCC(C)CCC 34a_100000688023_100000748629 [0,2,0,0,0,0|2,0,0]=4 5455 B10R0.3 C=C(C)COCC(C)CCC 7a_100000688023_100000748629 [0,2,0,0,0,0|2,0,0]=4 5456 B10R0.3 C=C(C)COC[C@@H](N)CCC 34a_100000732646_100000748629 [0,2,0,0,0,0|2,0,0]=4 5457 B10R0.3 C=C(C)CSCC(C)CCC 62a_100000748629_100011216630 [0,2,0,0,0,0|2,0,0]=4 5458 B10R0.3 C=C(C)CSCC(C)CCC 62a_100011216630_100000211660 [0,2,0,0,0,0|2,0,0]=4 5459 B10R0.3 C=C(F)COCC(C)CCC 34a_100000688023_100009893438 [0,2,0,0,0,0|2,0,0]=4 5460 B10R0.3 C=C(F)COCC(C)CCC 34a_200010262243_100011216630 [0,2,0,0,0,0|2,0,0]=4 5461 B10R0.3 C=C(F)COCC(C)CCC 7a_100000688023_100000042424 [0,2,0,0,0,0|2,0,0]=4 5462 B10R0.3 C=C(F)COC[C@@H](N)CCC 34a_100000732646_100009893438 [0,2,0,0,0,0|2,0,0]=4 5463 B10R0.3 C=C(F)CSCC(C)CCC 62a_100000042424_100011216630 [0,2,0,0,0,0|2,0,0]=4 5464 B10R0.3 C=C(F)CSCC(C)CCC 62a_100011216630_100000042424 [0,2,0,0,0,0|2,0,0]=4 5465 B10R0.3 C=CCN(C)CCCC(=O)O 269956a_100000719178_100000210623 [0,2,0,0,0,0|0,0,2]=4 5466 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,2,0,0,0,0|1,0,1]=4 5467 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [0,2,0,0,0,0|2,0,0]=4 5468 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [0,2,0,0,0,0|2,0,0]=4 5469 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [0,2,0,0,0,0|2,0,0]=4 5470 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [0,2,0,0,0,0|2,0,0]=4 5471 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [0,2,0,0,0,0|2,0,0]=4 5472 B10R0.3 CC(CCBr)OCCC(=O)N 34a_100012276601_100000731001 [0,2,0,0,0,0|2,0,0]=4 5473 B10R0.3 CC(CCCC(=O)[O-])OCF 7a_100000761597_100015361967 [0,2,0,0,0,0|1,0,1]=4 5474 B10R0.3 CC(CCN)COCC(=O)N 34a_106354213184_100000187820 [0,2,0,0,0,0|2,0,0]=4 5475 B10R0.3 CC(CCN)COCC(=O)[O-] 34a_106354213184_100020667443 [0,2,0,0,0,0|1,0,1]=4 5476 B10R0.3 CC(CCO)NOCC(=O)O 269956a_100000106656_100009893172 [0,2,0,0,0,0|2,0,0]=4 5477 B10R0.3 CC(CCO)OCCC(=O)N 34a_100000757172_100009893172 [0,2,0,0,0,0|2,0,0]=4 5478 B10R0.3 CC(CCO)OCCC(=O)N 7a_100000757172_100009893172 [0,2,0,0,0,0|2,0,0]=4 5479 B10R0.3 CC(CCO)SCCC(=O)N 62a_100000744528_100009893172 [0,2,0,0,0,0|2,0,0]=4 5480 B10R0.3 CC(CCO)SCCC(=O)N 62a_100009893172_100000744528 [0,2,0,0,0,0|2,0,0]=4 5481 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,2,0,0,0,0|1,0,0]=3 5482 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,2,0,0,0,0|1,0,0]=3 5483 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,2,0,0,0,0|1,0,1]=4 5484 B10R0.3 CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210303 [0,2,0,0,0,0|1,0,1]=4 5485 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,2,0,0,0,0|1,0,1]=4 5486 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,2,0,0,0,0|1,0,1]=4 5487 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000181464_100000210303 [0,2,0,0,0,0|1,0,1]=4 5488 B10R0.3 CCCC(=O)CCNC(=O)N 1458a_100000211992_200000034859 [0,2,0,0,0,0|1,0,1]=4 5489 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,2,0,0,0,0|1,0,1]=4 5490 B10R0.3 CCCC(=O)CCOC(=O)N 1458a_100000211992_200011214921 [0,2,0,0,0,0|1,0,1]=4 5491 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,2,0,0,0,0|1,0,1]=4 5492 B10R0.3 CCCC(=O)CNCC(=O)N 2230a_100000711301_100000747444 [0,2,0,0,0,0|1,0,1]=4 5493 B10R0.3 CCCC(=O)CNCC(=O)O 269956a_100016091260_100000747444 [0,2,0,0,0,0|0,0,1]=3 5494 B10R0.3 CCCC(=O)COCC(=O)N 1458a_100011219004_100000210303 [0,2,0,0,0,0|1,0,1]=4 5495 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747444_100000747473 [0,2,0,0,0,0|1,0,1]=4 5496 B10R0.3 CCCC(=O)CSCC(=O)N 62a_100000747473_100000747444 [0,2,0,0,0,0|1,0,1]=4 5497 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100000747444_100020667443 [0,2,0,0,0,0|0,0,2]=4 5498 B10R0.3 CCCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747444 [0,2,0,0,0,0|0,0,2]=4 5499 B10R0.3 CCCC(=O)NCCC(=O)N 11a_100000740010_100000211992 [0,2,0,0,0,0|1,0,1]=4 5500 B10R0.3 CCCC(=O)NCCC(=O)N 240690a_100000740010_100000211992 [0,2,0,0,0,0|1,0,1]=4 5501 B10R0.3 CCCC(=O)NCCC(=O)N 527a_100000740010_100000211992 [0,2,0,0,0,0|1,0,1]=4 5502 B10R0.3 CCCC(C)CNCC(=O)N 2230a_100000711301_100011216630 [0,2,0,0,0,0|1,0,0]=3 5503 B10R0.3 CCCC(C)CNCC(=O)O 269956a_100016091260_100011216630 [0,2,0,0,0,0|0,0,0]=2 5504 B10R0.3 CCCC(C)CNCC(C)O 2230a_100000210904_100011216630 [0,2,0,0,0,0|1,0,1]=4 5505 B10R0.3 CCCC(C)CNCC(C)O 270004a_100000210904_100000243154 [0,2,0,0,0,0|1,0,1]=4 5506 B10R0.3 CCCC(C)CNCC(C)O 34a_100000210904_100011216630 [0,2,0,0,0,0|1,0,1]=4 5507 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,2,0,0,0,0|1,0,0]=3 5508 B10R0.3 CCCC(C)COCC(=O)N 34a_100000688023_100000187820 [0,2,0,0,0,0|1,0,0]=3 5509 B10R0.3 CCCC(C)COCC(=O)N 7a_100000688023_100000187820 [0,2,0,0,0,0|1,0,0]=3 5510 B10R0.3 CCCC(C)COCC(=O)[O-] 34a_100000688023_100020667443 [0,2,0,0,0,0|0,0,1]=3 5511 B10R0.3 CCCC(C)COCC(C)O 34a_100000688023_100011218427 [0,2,0,0,0,0|1,0,1]=4 5512 B10R0.3 CCCC(C)COCC(C)O 7a_100000688023_100011218427 [0,2,0,0,0,0|1,0,1]=4 5513 B10R0.3 CCCC(C)COC[C@@H](C)O 34a_100000688023_100009817552 [0,2,0,0,0,0|1,0,1]=4 5514 B10R0.3 CCCC(C)COC[C@@H](C)O 7a_100000688023_100009817552 [0,2,0,0,0,0|1,0,1]=4 5515 B10R0.3 CCCC(C)COC[N+](=O)[O-] 34a_100000688023_100000761209 [0,2,0,0,0,0|1,0,1]=4 5516 B10R0.3 CCCC(C)CSCC(=O)N 62a_100000747473_100011216630 [0,2,0,0,0,0|1,0,0]=3 5517 B10R0.3 CCCC(C)CSCC(=O)N 62a_100011216630_100000747473 [0,2,0,0,0,0|1,0,0]=3 5518 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100011216630_100020667443 [0,2,0,0,0,0|0,0,1]=3 5519 B10R0.3 CCCC(C)CSCC(=O)[O-] 62a_100020667443_100011216630 [0,2,0,0,0,0|0,0,1]=3 5520 B10R0.3 CCCC(C)CSCC(C)O 62a_100011216630_100011218427 [0,2,0,0,0,0|1,0,1]=4 5521 B10R0.3 CCCC(C)CSCC(C)O 62a_100011218427_100011216630 [0,2,0,0,0,0|1,0,1]=4 5522 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100009817552_100011216630 [0,2,0,0,0,0|1,0,1]=4 5523 B10R0.3 CCCC(C)CSC[C@@H](C)O 62a_100011216630_100009817552 [0,2,0,0,0,0|1,0,1]=4 5524 B10R0.3 CCCC(C)CSC[N+](=O)[O-] 62a_100011216630_100000761209 [0,2,0,0,0,0|1,0,1]=4 5525 B10R0.3 CCCC(C)NCCC(=O)N 2230a_100000741246_100000744528 [0,2,0,0,0,0|1,0,0]=3 5526 B10R0.3 CCCC(C)NCCC(C)O 2230a_100000741246_100012276601 [0,2,0,0,0,0|1,0,1]=4 5527 B10R0.3 CCCC(C)NCCC(C)O 2230a_200000755665_100000766640 [0,2,0,0,0,0|1,0,1]=4 5528 B10R0.3 CCCC(C)NCCC(C)O 270004a_200000755665_100000211909 [0,2,0,0,0,0|1,0,1]=4 5529 B10R0.3 CCCC(C)NOCC(=O)O 269956a_100000106656_100000766640 [0,2,0,0,0,0|1,0,0]=3 5530 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,2,0,0,0,0|1,0,0]=3 5531 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,2,0,0,0,0|1,0,0]=3 5532 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,2,0,0,0,0|1,0,0]=3 5533 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000757172_100000766640 [0,2,0,0,0,0|1,0,0]=3 5534 B10R0.3 CCCC(C)OCCC(=O)N 34a_100000764384_100000731001 [0,2,0,0,0,0|1,0,0]=3 5535 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000757172_100000766640 [0,2,0,0,0,0|1,0,0]=3 5536 B10R0.3 CCCC(C)OCCC(=O)N 7a_100000764384_100000744528 [0,2,0,0,0,0|1,0,0]=3 5537 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [0,2,0,0,0,0|1,0,1]=4 5538 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [0,2,0,0,0,0|1,0,1]=4 5539 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [0,2,0,0,0,0|2,0,0]=4 5540 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,2,0,0,0,0|1,0,0]=3 5541 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,2,0,0,0,0|1,0,0]=3 5542 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000744528_100000766640 [0,2,0,0,0,0|1,0,0]=3 5543 B10R0.3 CCCC(C)SCCC(=O)N 62a_100000766640_100000744528 [0,2,0,0,0,0|1,0,0]=3 5544 B10R0.3 CCCC(C)SCCC(C)O 62a_100000766640_100012276601 [0,2,0,0,0,0|1,0,1]=4 5545 B10R0.3 CCCC(C)SCCC(C)O 62a_100012276601_100000766640 [0,2,0,0,0,0|1,0,1]=4 5546 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [0,2,0,0,0,0|2,0,0]=4 5547 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [0,2,0,0,0,0|2,0,0]=4 5548 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,2,0,0,0,0|1,0,0]=3 5549 B10R0.3 CCCN(C)CCCC(=O)N 269982a_100000747261_100102525003 [0,2,0,0,0,0|1,0,0]=3 5550 B10R0.3 CCCN(C)CCCC(=O)O 269956a_100000719178_100000210207 [0,2,0,0,0,0|0,0,0]=2 5551 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [0,2,0,0,0,0|1,0,1]=4 5552 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [0,2,0,0,0,0|1,0,1]=4 5553 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [0,2,0,0,0,0|2,0,0]=4 5554 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [0,2,0,0,0,0|2,0,0]=4 5555 B10R0.3 CCCN(C)CCNC(=O)N 2230a_100000747261_200000034859 [0,2,0,0,0,0|2,0,0]=4 5556 B10R0.3 CCCN(C)CCNC(=O)N 269982a_100000747261_200000034859 [0,2,0,0,0,0|2,0,0]=4 5557 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [0,2,0,0,0,0|2,0,0]=4 5558 B10R0.3 CCCN(C)CCOC(=O)N 269982a_100000747261_200011214921 [0,2,0,0,0,0|2,0,0]=4 5559 B10R0.3 CCC[C@H](N)COCC(=O)N 34a_100000732646_100000187820 [0,2,0,0,0,0|1,0,0]=3 5560 B10R0.3 CCC[C@H](N)COCC(=O)[O-] 34a_100000732646_100020667443 [0,2,0,0,0,0|0,0,1]=3 5561 B10R0.3 CCC[C@H](N)COCC(C)O 34a_100000732646_100011218427 [0,2,0,0,0,0|1,0,1]=4 5562 B10R0.3 CCC[C@H](N)COC[C@@H](C)O 34a_100000732646_100009817552 [0,2,0,0,0,0|1,0,1]=4 5563 B10R0.3 CCC[C@H](N)COC[N+](=O)[O-] 34a_100000732646_100000761209 [0,2,0,0,0,0|1,0,1]=4 5564 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,2,0,0,0,0|1,0,1]=4 5565 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,2,0,0,0,0|1,0,1]=4 5566 B10R0.3 CCNC(=O)CNCC(=O)O 269956a_100016091260_100000183381 [0,2,0,0,0,0|1,0,1]=4 5567 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,2,0,0,0,0|1,0,1]=4 5568 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,2,0,0,0,0|1,0,1]=4 5569 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,2,0,0,0,0|1,0,1]=4 5570 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,2,0,0,0,0|1,0,1]=4 5571 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [0,2,0,0,0,0|0,0,1]=3 5572 B10R0.3 CN(CC#N)CCCC(=O)O 269956a_100000719178_100011215382 [0,2,0,0,0,0|1,0,1]=4 5573 B10R0.3 CN(CC=O)CCCC(=O)O 269956a_100000719178_200015260668 [0,2,0,0,0,0|1,0,1]=4 5574 B10R0.3 CN(CCF)CCCC(=O)O 269956a_100000719178_100011217306 [0,2,0,0,0,0|1,0,0]=3 5575 B10R0.3 CN(CCO)CCCC(=O)N 269982a_100000210263_100102525003 [0,2,0,0,0,0|2,0,0]=4 5576 B10R0.3 CN(CCO)CCCC(=O)O 269956a_100000719178_100000211926 [0,2,0,0,0,0|1,0,0]=3 5577 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,2,0,0,0,0|1,0,1]=4 5578 B10R0.3 COCC(=O)CCCC(=O)N 1458a_100000210968_100102525003 [0,2,0,0,0,0|1,0,1]=4 5579 B10R0.3 COCC(C)NOCC(=O)O 269956a_100000106656_100000765312 [0,2,0,0,0,0|2,0,0]=4 5580 B10R0.3 COCC(C)OCCC(=O)C 34a_100000759926_100000765312 [0,2,0,0,0,0|2,0,0]=4 5581 B10R0.3 COCC(C)OCCC(=O)C 7a_100000759926_100000765312 [0,2,0,0,0,0|2,0,0]=4 5582 B10R0.3 COCC(C)OCCC(=O)N 34a_100000757172_100000765312 [0,2,0,0,0,0|2,0,0]=4 5583 B10R0.3 COCC(C)OCCC(=O)N 7a_100000757172_100000765312 [0,2,0,0,0,0|2,0,0]=4 5584 B10R0.3 COCC(C)SCCC(=O)C 62a_100000053229_100000765312 [0,2,0,0,0,0|2,0,0]=4 5585 B10R0.3 COCC(C)SCCC(=O)C 62a_100000765312_100000053229 [0,2,0,0,0,0|2,0,0]=4 5586 B10R0.3 COCC(C)SCCC(=O)N 62a_100000744528_100000765312 [0,2,0,0,0,0|2,0,0]=4 5587 B10R0.3 COCC(C)SCCC(=O)N 62a_100000765312_100000744528 [0,2,0,0,0,0|2,0,0]=4 5588 B10R0.3 COCC(N)COCC(=O)N 34a_100000724102_100000187820 [0,2,0,0,0,0|2,0,0]=4 5589 B10R0.3 COCC(N)COCC(=O)[O-] 34a_100000724102_100020667443 [0,2,0,0,0,0|1,0,1]=4 5590 B10R0.3 COCC(O)CNCC(=O)N 2230a_100000756049_100000747473 [0,2,0,0,0,0|2,0,0]=4 5591 B10R0.3 COCC(O)CNCC(=O)N 34a_100000756049_100000187820 [0,2,0,0,0,0|2,0,0]=4 5592 B10R0.3 COCC(O)CNCC(=O)O 269956a_100016091260_100011215053 [0,2,0,0,0,0|1,0,0]=3 5593 B10R0.3 COCC(O)CNCC(=O)[O-] 34a_100000756049_100020667443 [0,2,0,0,0,0|1,0,1]=4 5594 B10R0.3 COCC(O)COCC(=O)C 34a_100000211253_100011215053 [0,2,0,0,0,0|2,0,0]=4 5595 B10R0.3 COCC(O)CSCC(=O)N 62a_100000747473_100011215053 [0,2,0,0,0,0|2,0,0]=4 5596 B10R0.3 COCC(O)CSCC(=O)N 62a_100011215053_100000747473 [0,2,0,0,0,0|2,0,0]=4 5597 B10R0.3 COCC(O)CSCC(=O)[O-] 62a_100011215053_100020667443 [0,2,0,0,0,0|1,0,1]=4 5598 B10R0.3 COCC(O)CSCC(=O)[O-] 62a_100020667443_100011215053 [0,2,0,0,0,0|1,0,1]=4 5599 B10R0.3 COCN(C)CCCC(=O)O 269956a_100000719178_100000766300 [0,2,0,0,0,0|1,0,0]=3 5600 B10R0.3 COC[C@@H](C)NCCC(=O)N 2230a_100000764878_100000744528 [0,2,0,0,0,0|2,0,0]=4 5601 B10R0.3 COC[C@@H](C)OCCC(=O)N 34a_100011934205_100000731001 [0,2,0,0,0,0|2,0,0]=4 5602 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,2,0,0,0,0|1,0,1]=4 5603 B10R0.3 CSCC(=O)CCCC(=O)N 1458a_100000184570_100102525003 [0,2,0,0,0,0|1,0,1]=4 5604 B10R0.3 CSCN(C)CCCC(=O)O 269956a_100000719178_100011218213 [0,2,0,0,0,0|1,0,0]=3 5605 B10R0.3 C[C@H](CCO)NCCC(=O)N 2230a_100000706166_100000744528 [0,2,0,0,0,0|2,0,0]=4 5606 B10R0.3 C[C@H](CCO)NCCC(=O)N 34a_100000706166_100000731001 [0,2,0,0,0,0|2,0,0]=4 5607 B10R0.3 N#CC[C@H](O)CNCC(=O)O 269956a_100016091260_100000001066 [0,2,0,0,0,0|1,0,1]=4 5608 B10R0.3 NC(=O)CCCC(=O)CCO 1458a_100011216618_100102525003 [0,2,0,0,0,0|1,0,1]=4 5609 B10R0.44 CCC(=O)CN(C)CC(=O)O 269956a_100000746989_100000747405 [0,2,0,0,0,0|1,0,1]=4 5610 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100000708755_100000187820 [0,2,0,0,0,0|1,0,1]=4 5611 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100134613110_100000748023 [0,2,0,0,0,0|1,0,1]=4 5612 B10R0.44 CCC(C)CC(=O)CC(=O)[O-] 1458a_100000708755_100020667443 [0,2,0,0,0,0|0,0,2]=4 5613 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [0,2,0,0,0,0|2,0,0]=4 5614 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [0,2,0,0,0,0|2,0,0]=4 5615 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [0,2,0,0,0,0|2,0,0]=4 5616 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [0,2,0,0,0,0|2,0,0]=4 5617 B10R0.44 CCC(C)CN(C)CC(=O)N 2230a_100000739694_100000748023 [0,2,0,0,0,0|2,0,0]=4 5618 B10R0.44 CCC(C)CN(C)CC(=O)N 2230a_100000753921_100000747473 [0,2,0,0,0,0|2,0,0]=4 5619 B10R0.44 CCC(C)CN(C)CC(=O)N 269982a_100000753921_100000187820 [0,2,0,0,0,0|2,0,0]=4 5620 B10R0.44 CCC(C)CN(C)CC(=O)N 270004a_100000739694_100000243153 [0,2,0,0,0,0|2,0,0]=4 5621 B10R0.44 CCC(C)CN(C)CC(=O)O 269956a_100000746989_100000748023 [0,2,0,0,0,0|1,0,0]=3 5622 B10R0.44 CCC(C)CN(C)CC(=O)[O-] 269982a_100000753921_100020667443 [0,2,0,0,0,0|1,0,1]=4 5623 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100011667805_100000187820 [0,2,0,0,0,0|1,0,1]=4 5624 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218378 [0,2,0,0,0,0|1,0,1]=4 5625 B10R0.44 CCC(O)CC(=O)CC(=O)[O-] 1458a_100011667805_100020667443 [0,2,0,0,0,0|0,0,2]=4 5626 B10R0.44 CCC(O)CN(C)CC(=O)N 2230a_100000739694_100011218378 [0,2,0,0,0,0|2,0,0]=4 5627 B10R0.44 CCC(O)CN(C)CC(=O)O 269956a_100000746989_100011218378 [0,2,0,0,0,0|1,0,0]=3 5628 B10R0.44 CC[C@H](C)CC(=O)CC(=O)N 1458a_100134613110_100009816398 [0,2,0,0,0,0|1,0,1]=4 5629 B10R0.44 CC[C@H](C)CN(C)CC(=O)N 2230a_100000739694_100009816398 [0,2,0,0,0,0|2,0,0]=4 5630 B10R0.44 CC[C@H](C)CN(C)CC(=O)O 269956a_100000746989_100009816398 [0,2,0,0,0,0|1,0,0]=3 5631 B10R0.44 CN(CC(=O)O)CC(O)CO 269956a_100000746989_100011219619 [0,2,0,0,0,0|2,0,0]=4 5632 B10R0.44 CN(CC(=O)O)C[C@@H](O)CF 269956a_100000746989_100015614560 [0,2,0,0,0,0|2,0,0]=4 5633 B10R0.44 CN(CC(=O)O)C[C@@H](O)CO 269956a_100000746989_100009815848 [0,2,0,0,0,0|2,0,0]=4 5634 B10R0.44 C[C@@H](CO)CN(C)CC(=O)O 269956a_100000746989_100000059175 [0,2,0,0,0,0|2,0,0]=4 5635 B10R0.57 CCC(=O)C(C)NCC(=O)O 269956a_100016091260_100000742827 [0,2,0,0,0,0|1,0,1]=4 5636 B10R0.57 CCC(C)C(=O)CCC(=O)N 1458a_100011215257_100000758301 [0,2,0,0,0,0|1,0,1]=4 5637 B10R0.57 CCC(C)C(C)OCC(=O)N 7a_100011215189_100000187820 [0,2,0,0,0,0|2,0,0]=4 5638 B10R0.57 CCC(C)N(C)CCC(=O)C 269982a_100000741768_100000053229 [0,2,0,0,0,0|2,0,0]=4 5639 B10R0.57 CCC(C)N(C)CCC(=O)N 2230a_100000730477_100000758301 [0,2,0,0,0,0|2,0,0]=4 5640 B10R0.57 CCC(C)N(C)CCC(=O)N 2230a_100000741768_100000744528 [0,2,0,0,0,0|2,0,0]=4 5641 B10R0.57 CCC(C)N(C)CCC(=O)N 269982a_100000741768_100000744528 [0,2,0,0,0,0|2,0,0]=4 5642 B10R0.59 C#CC(=O)CCCN(C)CC 1458a_100000211873_100015186262 [0,2,0,0,0,0|2,0,0]=4 5643 B10R0.59 C=CC(=O)CCCN(C)CC 1458a_100000185746_100015186262 [0,2,0,0,0,0|2,0,0]=4 5644 B10R0.59 C=CC(=O)NCCC(C)CC 1626a_100020591266_100000185746 [0,2,0,0,0,0|2,0,0]=4 5645 B10R0.59 C=CC(=O)NCCC(C)CC 240690a_100020591266_200121576911 [0,2,0,0,0,0|2,0,0]=4 5646 B10R0.59 CC(CO)CCNC(=O)CO 240690a_106354213184_100000210174 [0,2,0,0,0,0|2,0,0]=4 5647 B10R0.59 CC(CO)CCNC(=O)CO 527a_106354213184_100000210174 [0,2,0,0,0,0|2,0,0]=4 5648 B10R0.59 CCC(=O)CCCC(=O)NC 1458a_100000210414_100000741757 [0,2,0,0,0,0|1,0,1]=4 5649 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000210414_100011218270 [0,2,0,0,0,0|0,0,1]=3 5650 B10R0.59 CCC(=O)CCCC(=O)OC 1458a_100000239890_100000210202 [0,2,0,0,0,0|0,0,1]=3 5651 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [0,2,0,0,0,0|2,0,0]=4 5652 B10R0.59 CCC(=O)COCC(=O)OC 34a_100000725409_100000747449 [0,2,0,0,0,0|1,0,1]=4 5653 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [0,2,0,0,0,0|2,0,0]=4 5654 B10R0.59 CCC(=O)COCC(O)CC 34a_100000725409_100011218378 [0,2,0,0,0,0|2,0,0]=4 5655 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [0,2,0,0,0,0|2,0,0]=4 5656 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [0,2,0,0,0,0|2,0,0]=4 5657 B10R0.59 CCC(=O)CSCC(=O)OC 1458a_100000191316_100000210202 [0,2,0,0,0,0|1,0,1]=4 5658 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747405_100000747449 [0,2,0,0,0,0|1,0,1]=4 5659 B10R0.59 CCC(=O)CSCC(=O)OC 62a_100000747449_100000747405 [0,2,0,0,0,0|1,0,1]=4 5660 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [0,2,0,0,0,0|2,0,0]=4 5661 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [0,2,0,0,0,0|2,0,0]=4 5662 B10R0.59 CCC(=O)CSCC(O)CC 62a_100000747405_100011218378 [0,2,0,0,0,0|2,0,0]=4 5663 B10R0.59 CCC(=O)CSCC(O)CC 62a_100011218378_100000747405 [0,2,0,0,0,0|2,0,0]=4 5664 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [0,2,0,0,0,0|2,0,0]=4 5665 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [0,2,0,0,0,0|2,0,0]=4 5666 B10R0.59 CCC(=O)NCCC(=O)OC 188690a_100000683876_100000210414 [0,2,0,0,0,0|1,0,1]=4 5667 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 5668 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 5669 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 5670 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,2,0,0,0,0|2,0,0]=4 5671 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,2,0,0,0,0|1,0,0]=3 5672 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,2,0,0,0,0|1,0,0]=3 5673 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [0,2,0,0,0,0|2,0,0]=4 5674 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [0,2,0,0,0,0|2,0,0]=4 5675 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [0,2,0,0,0,0|2,0,0]=4 5676 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [0,2,0,0,0,0|2,0,0]=4 5677 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [0,2,0,0,0,0|2,0,0]=4 5678 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [0,2,0,0,0,0|2,0,0]=4 5679 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100000693194_100000748023 [0,2,0,0,0,0|2,0,0]=4 5680 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100020588543_100000183359 [0,2,0,0,0,0|2,0,0]=4 5681 B10R0.59 CCC(C)CNCC(=O)NC 270004a_100000693194_100000243153 [0,2,0,0,0,0|2,0,0]=4 5682 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [0,2,0,0,0,0|1,0,0]=3 5683 B10R0.59 CCC(C)COCC(=O)NC 34a_100000750040_100000748023 [0,2,0,0,0,0|2,0,0]=4 5684 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000183359_100000748023 [0,2,0,0,0,0|2,0,0]=4 5685 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000748023_100000183359 [0,2,0,0,0,0|2,0,0]=4 5686 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [0,2,0,0,0,0|1,0,0]=3 5687 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [0,2,0,0,0,0|1,0,0]=3 5688 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000209981_100000737683 [0,2,0,0,0,0|2,0,0]=4 5689 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000738227_100000758301 [0,2,0,0,0,0|2,0,0]=4 5690 B10R0.59 CCC(C)NCCC(=O)NC 34a_100000738227_100011215416 [0,2,0,0,0,0|2,0,0]=4 5691 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [0,2,0,0,0,0|1,0,0]=3 5692 B10R0.59 CCC(C)OCCC(=NO)N 34a_100000749954_100011215416 [0,2,0,0,0,0|2,0,0]=4 5693 B10R0.59 CCC(C)OCCC(=O)NC 34a_100000754576_100011215416 [0,2,0,0,0,0|2,0,0]=4 5694 B10R0.59 CCC(C)OCCC(=O)NC 7a_100000210228_100000737683 [0,2,0,0,0,0|2,0,0]=4 5695 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [0,2,0,0,0,0|1,0,0]=3 5696 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000737683_100000758301 [0,2,0,0,0,0|2,0,0]=4 5697 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000758301_100000737683 [0,2,0,0,0,0|2,0,0]=4 5698 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [0,2,0,0,0,0|1,0,0]=3 5699 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [0,2,0,0,0,0|1,0,0]=3 5700 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [0,2,0,0,0,0|2,0,0]=4 5701 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100000693194_100011218378 [0,2,0,0,0,0|2,0,0]=4 5702 B10R0.59 CCC(O)CNCC(=O)NC 2230a_100011218483_100000183359 [0,2,0,0,0,0|2,0,0]=4 5703 B10R0.59 CCC(O)CNCC(=O)OC 2230a_100011218483_100000747449 [0,2,0,0,0,0|1,0,0]=3 5704 B10R0.59 CCC(O)CNNC(=O)CO 22a_100015206393_100000210174 [0,2,0,0,0,0|2,0,0]=4 5705 B10R0.59 CCC(O)COCC(=O)NC 34a_100000750040_100011218378 [0,2,0,0,0,0|2,0,0]=4 5706 B10R0.59 CCC(O)CSCC(=O)NC 62a_100000183359_100011218378 [0,2,0,0,0,0|2,0,0]=4 5707 B10R0.59 CCC(O)CSCC(=O)NC 62a_100011218378_100000183359 [0,2,0,0,0,0|2,0,0]=4 5708 B10R0.59 CCC(O)CSCC(=O)OC 62a_100000747449_100011218378 [0,2,0,0,0,0|1,0,0]=3 5709 B10R0.59 CCC(O)CSCC(=O)OC 62a_100011218378_100000747449 [0,2,0,0,0,0|1,0,0]=3 5710 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [0,2,0,0,0,0|1,0,0]=3 5711 B10R0.59 CCN(C)CCCC(=O)NC 2230a_100000225621_100000741757 [0,2,0,0,0,0|2,0,0]=4 5712 B10R0.59 CCN(C)CCCC(=O)NC 269982a_100000225621_100000741757 [0,2,0,0,0,0|2,0,0]=4 5713 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,2,0,0,0,0|1,0,0]=3 5714 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,2,0,0,0,0|1,0,0]=3 5715 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,2,0,0,0,0|1,0,0]=3 5716 B10R0.59 CC[C@H](C)CNCC(=O)NC 2230a_100000693194_100009816398 [0,2,0,0,0,0|2,0,0]=4 5717 B10R0.59 CC[C@H](C)COCC(=O)NC 34a_100000750040_100009816398 [0,2,0,0,0,0|2,0,0]=4 5718 B10R0.59 CC[C@H](C)COCC(=O)NC 7a_100009816381_100000183359 [0,2,0,0,0,0|2,0,0]=4 5719 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [0,2,0,0,0,0|1,0,0]=3 5720 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100000183359_100009816398 [0,2,0,0,0,0|2,0,0]=4 5721 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100009816398_100000183359 [0,2,0,0,0,0|2,0,0]=4 5722 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [0,2,0,0,0,0|1,0,0]=3 5723 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [0,2,0,0,0,0|1,0,0]=3 5724 B10R0.59 CNC(=O)CCCC(=O)CO 1458a_100000210174_100000741757 [0,2,0,0,0,0|1,0,1]=4 5725 B10R0.59 CNC(=O)CCCC(=O)OC 11a_106832991635_100000239890 [0,2,0,0,0,0|1,0,1]=4 5726 B10R0.59 CNC(=O)CCCC(=O)OC 1626a_100102657272_100000239890 [0,2,0,0,0,0|1,0,1]=4 5727 B10R0.59 CNC(=O)CCCC(=O)OC 240690a_100102657272_100000239890 [0,2,0,0,0,0|1,0,1]=4 5728 B10R0.59 CNC(=O)CCCC(=O)OC 527a_100102657272_100000239890 [0,2,0,0,0,0|1,0,1]=4 5729 B10R0.59 COC(=O)CCCC(=O)CF 1458a_100000239890_100015361967 [0,2,0,0,0,0|1,0,1]=4 5730 B10R0.59 COC(=O)CCCC(=O)CO 1458a_100000210174_100011218270 [0,2,0,0,0,0|1,0,1]=4 5731 B10R0.59 COC(=O)CCCN(C)CF 269982a_100000739225_100015361967 [0,2,0,0,0,0|2,0,0]=4 5732 B10R0.59 COC(=O)CCN[C@H](C)CO 2230a_100000737577_100000204255 [0,2,0,0,0,0|2,0,0]=4 5733 B10R0.59 COC(=O)CCOC(C)CF 34a_100016041109_100000742370 [0,2,0,0,0,0|2,0,0]=4 5734 B10R0.59 COC(=O)CCOC(C)CF 7a_100016041109_100000204255 [0,2,0,0,0,0|2,0,0]=4 5735 B10R0.59 COC(=O)CCOC(C)CN 34a_100000210904_100000742370 [0,2,0,0,0,0|2,0,0]=4 5736 B10R0.59 COC(=O)CCSC(C)CO 62a_100012180447_100000204255 [0,2,0,0,0,0|2,0,0]=4 5737 B10R0.59 COC(=O)CCSC(C)OC 62a_100000204255_100009879195 [0,2,0,0,0,0|2,0,0]=4 5738 B10R0.59 COC(=O)CCSC(C)OC 62a_100009879195_100000204255 [0,2,0,0,0,0|2,0,0]=4 5739 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100000204255_100016084084 [0,2,0,0,0,0|2,0,0]=4 5740 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100016084084_100000204255 [0,2,0,0,0,0|2,0,0]=4 5741 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [0,2,0,0,0,0|2,0,0]=4 5742 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [0,2,0,0,0,0|2,0,0]=4 5743 B10R0.59 COC(=O)CNC[C@@H](F)CO 34a_100015665980_100000747449 [0,2,0,0,0,0|2,0,0]=4 5744 B10R0.59 COC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747449 [0,2,0,0,0,0|2,0,0]=4 5745 B10R0.59 COC(=O)COCC(C)CN 34a_100000744482_100000747449 [0,2,0,0,0,0|2,0,0]=4 5746 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [0,2,0,0,0,0|2,0,0]=4 5747 B10R0.59 COC(=O)COCC(Cl)CCl 34a_100000033668_100000747449 [0,2,0,0,0,0|2,0,0]=4 5748 B10R0.59 COC(=O)COC[C@H](F)CN 34a_100015665980_100000747449 [0,2,0,0,0,0|2,0,0]=4 5749 B10R0.59 COC(=O)CSCC(O)CO 62a_100000747449_100011219619 [0,2,0,0,0,0|2,0,0]=4 5750 B10R0.59 COC(=O)CSCC(O)CO 62a_100011219619_100000747449 [0,2,0,0,0,0|2,0,0]=4 5751 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747449 [0,2,0,0,0,0|2,0,0]=4 5752 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000747449_100000059175 [0,2,0,0,0,0|2,0,0]=4 5753 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100000747449_100015614560 [0,2,0,0,0,0|2,0,0]=4 5754 B10R0.59 COC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747449 [0,2,0,0,0,0|2,0,0]=4 5755 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100000747449_100009815848 [0,2,0,0,0,0|2,0,0]=4 5756 B10R0.59 COC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747449 [0,2,0,0,0,0|2,0,0]=4 5757 B10R0.65 CC(C)(CO)CNCC(=O)O 269956a_100016091260_100009813988 [0,2,0,0,0,0|2,0,0]=4 5758 B10R0.65 CCC(C)(C)COCC(=O)N 7a_100000765029_100000187820 [0,2,0,0,0,0|2,0,0]=4 5759 B10R0.65 CCC(C)(C)NCCC(=O)N 2230a_100000211385_100000744528 [0,2,0,0,0,0|2,0,0]=4 5760 B10R0.65 CCC(C)(C)NOCC(=O)O 269956a_100000106656_100000032637 [0,2,0,0,0,0|2,0,0]=4 5761 B10R0.65 CCC(C)(C)OCCC(=O)C 7a_100000210230_100000053229 [0,2,0,0,0,0|2,0,0]=4 5762 B10R0.65 CCC(C)(C)OCCC(=O)C 7a_100000759926_100000210677 [0,2,0,0,0,0|2,0,0]=4 5763 B10R0.65 CCC(C)(C)OCCC(=O)N 7a_100000210230_100000744528 [0,2,0,0,0,0|2,0,0]=4 5764 B10R0.65 CCC(C)(C)OCCC(=O)N 7a_100000757172_100000210677 [0,2,0,0,0,0|2,0,0]=4 5765 B10R0.65 CCC(C)(C)SCCC(=O)C 62a_100000032637_100000053229 [0,2,0,0,0,0|2,0,0]=4 5766 B10R0.65 CCC(C)(C)SCCC(=O)C 62a_100000053229_100000032637 [0,2,0,0,0,0|2,0,0]=4 5767 B10R0.65 CCC(C)(C)SCCC(=O)N 62a_100000032637_100000744528 [0,2,0,0,0,0|2,0,0]=4 5768 B10R0.65 CCC(C)(C)SCCC(=O)N 62a_100000744528_100000032637 [0,2,0,0,0,0|2,0,0]=4 5769 B10R0.65 COC(C)(C)CNCC(=O)O 269956a_100016091260_100000701081 [0,2,0,0,0,0|2,0,0]=4 5770 B10R0.77 C#CC(CC)OCCC(=O)C 7a_100000758843_100000053229 [0,2,0,0,0,0|2,0,0]=4 5771 B10R0.77 C#CC(CC)OCCC(=O)N 34a_100000758843_100000731001 [0,2,0,0,0,0|2,0,0]=4 5772 B10R0.77 C#CC(CC)OCCC(=O)N 7a_100000758843_100000744528 [0,2,0,0,0,0|2,0,0]=4 5773 B10R0.77 C=CC(CC)OCCC(=O)C 7a_100000766422_100000053229 [0,2,0,0,0,0|2,0,0]=4 5774 B10R0.77 C=CC(CC)OCCC(=O)N 34a_100000766422_100000731001 [0,2,0,0,0,0|2,0,0]=4 5775 B10R0.77 C=CC(CC)OCCC(=O)N 7a_100000766422_100000744528 [0,2,0,0,0,0|2,0,0]=4 5776 B10R0.77 CCC(CC)CNCC(=O)N 2230a_100000711301_100011215472 [0,2,0,0,0,0|2,0,0]=4 5777 B10R0.77 CCC(CC)CNCC(=O)N 2230a_100102946423_100000747473 [0,2,0,0,0,0|2,0,0]=4 5778 B10R0.77 CCC(CC)CNCC(=O)O 269956a_100016091260_100011215472 [0,2,0,0,0,0|1,0,0]=3 5779 B10R0.77 CCC(CC)COCC(=O)C 34a_100000211253_100011215472 [0,2,0,0,0,0|2,0,0]=4 5780 B10R0.77 CCC(CC)COCC(=O)N 7a_100000703878_100000187820 [0,2,0,0,0,0|2,0,0]=4 5781 B10R0.77 CCC(CC)CSCC(=O)N 62a_100000747473_100011215472 [0,2,0,0,0,0|2,0,0]=4 5782 B10R0.77 CCC(CC)CSCC(=O)N 62a_100011215472_100000747473 [0,2,0,0,0,0|2,0,0]=4 5783 B10R0.77 CCC(CC)CSCC(=O)[O-] 62a_100011215472_100020667443 [0,2,0,0,0,0|1,0,1]=4 5784 B10R0.77 CCC(CC)CSCC(=O)[O-] 62a_100020667443_100011215472 [0,2,0,0,0,0|1,0,1]=4 5785 B10R0.77 CCC(CC)NCCC(=O)N 2230a_100000199018_100000744528 [0,2,0,0,0,0|2,0,0]=4 5786 B10R0.77 CCC(CC)NOCC(=O)O 269956a_100000106656_100000210505 [0,2,0,0,0,0|2,0,0]=4 5787 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000688536_100000053229 [0,2,0,0,0,0|2,0,0]=4 5788 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000759926_100000210505 [0,2,0,0,0,0|2,0,0]=4 5789 B10R0.77 CCC(CC)OCCC(=O)N 7a_100000688536_100000744528 [0,2,0,0,0,0|2,0,0]=4 5790 B10R0.77 CCC(CC)OCCC(=O)N 7a_100000757172_100000210505 [0,2,0,0,0,0|2,0,0]=4 5791 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000053229_100000210505 [0,2,0,0,0,0|2,0,0]=4 5792 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000210505_100000053229 [0,2,0,0,0,0|2,0,0]=4 5793 B10R0.77 CCC(CC)SCCC(=O)N 62a_100000210505_100000744528 [0,2,0,0,0,0|2,0,0]=4 5794 B10R0.77 CCC(CC)SCCC(=O)N 62a_100000744528_100000210505 [0,2,0,0,0,0|2,0,0]=4 5795 B10R0.77 CCC(COCC(=O)N)OC 34a_100011934954_100000187820 [0,2,0,0,0,0|2,0,0]=4 5796 B10R0.77 CCC(COCC(=O)N)OC 7a_100011934954_100000187820 [0,2,0,0,0,0|2,0,0]=4 5797 B10R0.77 CCC(COCC(=O)[O-])OC 34a_100011934954_100020667443 [0,2,0,0,0,0|1,0,1]=4 5798 B10R0.77 CCN(CC)CCCC(=O)C 1458a_100000070787_100000709985 [0,2,0,0,0,0|2,0,0]=4 5799 B10R0.77 CCN(CC)CCCC(=O)C 1458a_100076194134_200000210301 [0,2,0,0,0,0|2,0,0]=4 5800 B10R0.77 CCN(CC)CCCC(=O)C 269956a_100000042499_100011215641 [0,2,0,0,0,0|2,0,0]=4 5801 B10R0.77 CCN(CC)CCCC(=O)C 269982a_100000724800_100011215641 [0,2,0,0,0,0|2,0,0]=4 5802 B10R0.77 CCN(CC)CCCC(=O)N 269956a_100000042499_100102525003 [0,2,0,0,0,0|2,0,0]=4 5803 B10R0.77 CCN(CC)CCCC(=O)N 269982a_100000724800_100102525003 [0,2,0,0,0,0|2,0,0]=4 5804 B10R0.77 CCN(CC)CCCC(=O)[13CH3] 1458a_100076194134_200025704644 [0,2,0,0,0,0|2,0,0]=4 5805 B10R0.77 CC[C@@H](CO)NCCC(=O)N 2230a_100000709445_100000744528 [0,2,0,0,0,0|2,0,0]=4 5806 B10R0.77 COC(CCCC(=O)C)OC 1458a_100000070787_100000069011 [0,2,0,0,0,0|2,0,0]=4 5807 B10R0.77 COC(CNCC(=O)O)OC 269956a_100016091260_100000751394 [0,2,0,0,0,0|2,0,0]=4 5808 B10R0.82 CC(CN[C@H](C)CO)C(=O)O 269956a_100000749485_100016084084 [0,2,0,0,0,0|2,0,0]=4 5809 B10R0.82 CCC(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000747405 [0,2,0,0,0,0|1,0,1]=4 5810 B10R0.82 CCC(C)CNC(C)C(=O)C 2230a_100020588543_100009814033 [0,2,0,0,0,0|2,0,0]=4 5811 B10R0.82 CCC(C)CNC(C)C(=O)N 2230a_100020588543_100000702099 [0,2,0,0,0,0|2,0,0]=4 5812 B10R0.82 CCC(C)CNC(F)C(=O)N 2230a_100020588543_100009813875 [0,2,0,0,0,0|2,0,0]=4 5813 B10R0.82 CCC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748023 [0,2,0,0,0,0|1,0,0]=3 5814 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748023 [0,2,0,0,0,0|2,0,0]=4 5815 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000243153 [0,2,0,0,0,0|2,0,0]=4 5816 B10R0.82 CCC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748023 [0,2,0,0,0,0|2,0,0]=4 5817 B10R0.82 CCC(C)COC(C)C(=O)C 34a_100000212229_100000748023 [0,2,0,0,0,0|2,0,0]=4 5818 B10R0.82 CCC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748023 [0,2,0,0,0,0|1,0,1]=4 5819 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748023 [0,2,0,0,0,0|2,0,0]=4 5820 B10R0.82 CCC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748023 [0,2,0,0,0,0|2,0,0]=4 5821 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100000748023_100009814033 [0,2,0,0,0,0|2,0,0]=4 5822 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100009814033_100000748023 [0,2,0,0,0,0|2,0,0]=4 5823 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000702099_100000748023 [0,2,0,0,0,0|2,0,0]=4 5824 B10R0.82 CCC(C)CSC(C)C(=O)N 62a_100000748023_100000702099 [0,2,0,0,0,0|2,0,0]=4 5825 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100000748023_100009813875 [0,2,0,0,0,0|2,0,0]=4 5826 B10R0.82 CCC(C)CSC(F)C(=O)N 62a_100009813875_100000748023 [0,2,0,0,0,0|2,0,0]=4 5827 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100000748023_100020610796 [0,2,0,0,0,0|1,0,1]=4 5828 B10R0.82 CCC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000748023 [0,2,0,0,0,0|1,0,1]=4 5829 B10R0.82 CCC(C)NCC(C)C(=O)O 269956a_100000749485_100000758301 [0,2,0,0,0,0|1,0,0]=3 5830 B10R0.82 CCC(C)NCC(F)C(=O)O 269956a_100000084737_100000758301 [0,2,0,0,0,0|1,0,0]=3 5831 B10R0.82 CCC(C)OCC(C)C(=O)C 34a_100000032740_100011215416 [0,2,0,0,0,0|2,0,0]=4 5832 B10R0.82 CCC(C)OCC(C)C(=O)C 7a_100000032740_100000758301 [0,2,0,0,0,0|2,0,0]=4 5833 B10R0.82 CCC(C)OC[C@H](N)C(=O)N 34a_100000729942_100011215416 [0,2,0,0,0,0|2,0,0]=4 5834 B10R0.82 CCC(O)CNC(C)C(=O)C 2230a_100011218483_100009814033 [0,2,0,0,0,0|2,0,0]=4 5835 B10R0.82 CCC(O)CNC(C)C(=O)N 2230a_100011218483_100000702099 [0,2,0,0,0,0|2,0,0]=4 5836 B10R0.82 CCC(O)CNC(F)C(=O)N 2230a_100011218483_100009813875 [0,2,0,0,0,0|2,0,0]=4 5837 B10R0.82 CCC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218378 [0,2,0,0,0,0|1,0,0]=3 5838 B10R0.82 CCC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218378 [0,2,0,0,0,0|2,0,0]=4 5839 B10R0.82 CCC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218378 [0,2,0,0,0,0|2,0,0]=4 5840 B10R0.82 CCC(O)COC(C)C(=O)C 34a_100000212229_100011218378 [0,2,0,0,0,0|2,0,0]=4 5841 B10R0.82 CCC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218378 [0,2,0,0,0,0|1,0,1]=4 5842 B10R0.82 CCC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218378 [0,2,0,0,0,0|2,0,0]=4 5843 B10R0.82 CCC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218378 [0,2,0,0,0,0|2,0,0]=4 5844 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100009814033_100011218378 [0,2,0,0,0,0|2,0,0]=4 5845 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100011218378_100009814033 [0,2,0,0,0,0|2,0,0]=4 5846 B10R0.82 CCC(O)CSC(C)C(=O)N 62a_100000702099_100011218378 [0,2,0,0,0,0|2,0,0]=4 5847 B10R0.82 CCC(O)CSC(C)C(=O)N 62a_100011218378_100000702099 [0,2,0,0,0,0|2,0,0]=4 5848 B10R0.82 CCC(O)CSC(F)C(=O)N 62a_100009813875_100011218378 [0,2,0,0,0,0|2,0,0]=4 5849 B10R0.82 CCC(O)CSC(F)C(=O)N 62a_100011218378_100009813875 [0,2,0,0,0,0|2,0,0]=4 5850 B10R0.82 CCC(O)CSC(F)C(=O)[O-] 62a_100011218378_100020610796 [0,2,0,0,0,0|1,0,1]=4 5851 B10R0.82 CCC(O)CSC(F)C(=O)[O-] 62a_100020610796_100011218378 [0,2,0,0,0,0|1,0,1]=4 5852 B10R0.82 CC[C@H](C)CN[C@@H](C)C(=O)O 269956a_100000743915_100009816398 [0,2,0,0,0,0|1,0,0]=3 5853 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 2230a_100000119354_100009816398 [0,2,0,0,0,0|2,0,0]=4 5854 B10R0.82 CC[C@H](C)CN[C@H](C)C(=O)N 34a_100000119354_100009816398 [0,2,0,0,0,0|2,0,0]=4 5855 B10R0.82 CC[C@H](C)COC(C)C(=O)C 34a_100000212229_100009816398 [0,2,0,0,0,0|2,0,0]=4 5856 B10R0.82 CC[C@H](C)COC(C)C(=O)C 7a_100009816381_100000179758 [0,2,0,0,0,0|2,0,0]=4 5857 B10R0.82 CC[C@H](C)COC(C)C(=O)N 7a_100009816381_100000702099 [0,2,0,0,0,0|2,0,0]=4 5858 B10R0.82 CC[C@H](C)COC(F)C(=O)N 7a_100009816381_100009813875 [0,2,0,0,0,0|2,0,0]=4 5859 B10R0.82 CC[C@H](C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100009816398 [0,2,0,0,0,0|1,0,1]=4 5860 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 34a_100000731257_100009816398 [0,2,0,0,0,0|2,0,0]=4 5861 B10R0.82 CC[C@H](C)CO[C@H](C)C(=O)N 7a_100000731257_100009816398 [0,2,0,0,0,0|2,0,0]=4 5862 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009814033_100009816398 [0,2,0,0,0,0|2,0,0]=4 5863 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009816398_100009814033 [0,2,0,0,0,0|2,0,0]=4 5864 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100000702099_100009816398 [0,2,0,0,0,0|2,0,0]=4 5865 B10R0.82 CC[C@H](C)CSC(C)C(=O)N 62a_100009816398_100000702099 [0,2,0,0,0,0|2,0,0]=4 5866 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009813875_100009816398 [0,2,0,0,0,0|2,0,0]=4 5867 B10R0.82 CC[C@H](C)CSC(F)C(=O)N 62a_100009816398_100009813875 [0,2,0,0,0,0|2,0,0]=4 5868 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100009816398_100020610796 [0,2,0,0,0,0|1,0,1]=4 5869 B10R0.82 CC[C@H](C)CSC(F)C(=O)[O-] 62a_100020610796_100009816398 [0,2,0,0,0,0|1,0,1]=4 5870 B10R0.82 COC(C)NCC(C)C(=O)O 269956a_100000749485_100009879195 [0,2,0,0,0,0|2,0,0]=4 5871 B10R0.82 COC(C)NCC(F)C(=O)O 269956a_100000084737_100009879195 [0,2,0,0,0,0|2,0,0]=4 5872 B10R0.82 C[C@@H](CO)CN[C@@H](C)C(=O)O 269956a_100000743915_100000059175 [0,2,0,0,0,0|2,0,0]=4 5873 B10R0.82 C[C@H](CO)NCC(F)C(=O)O 269956a_100000084737_100016084084 [0,2,0,0,0,0|2,0,0]=4 5874 B10R0.82 C[C@H](NCC(O)CO)C(=O)O 269956a_100000743915_100011219619 [0,2,0,0,0,0|2,0,0]=4 5875 B10R0.82 C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000743915_100015614560 [0,2,0,0,0,0|2,0,0]=4 5876 B10R0.82 C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000743915_100009815848 [0,2,0,0,0,0|2,0,0]=4 5877 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,2,0,0,0,0|1,0,1]=4 5878 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,2,0,0,0,0|1,0,1]=4 5879 B10R0.98 C=C(C)CNCC(F)C(=O)O 269956a_100000084737_100000748629 [0,2,0,0,0,0|1,0,1]=4 5880 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [0,2,0,0,0,0|2,0,0]=4 5881 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [0,2,0,0,0,0|2,0,0]=4 5882 B10R0.98 CC(=O)C(C)COCC(C)O 34a_100000032740_100011218427 [0,2,0,0,0,0|2,0,0]=4 5883 B10R0.98 CC(=O)C(C)COCC(C)O 7a_100000032740_100011218427 [0,2,0,0,0,0|2,0,0]=4 5884 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 34a_100000032740_100009817552 [0,2,0,0,0,0|2,0,0]=4 5885 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 7a_100000032740_100009817552 [0,2,0,0,0,0|2,0,0]=4 5886 B10R0.98 CC(=O)C(C)NCCC(C)O 2230a_200000755665_100009814033 [0,2,0,0,0,0|2,0,0]=4 5887 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [0,2,0,0,0,0|2,0,0]=4 5888 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [0,2,0,0,0,0|2,0,0]=4 5889 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [0,2,0,0,0,0|2,0,0]=4 5890 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [0,2,0,0,0,0|2,0,0]=4 5891 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [0,2,0,0,0,0|2,0,0]=4 5892 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100009814033_100012276601 [0,2,0,0,0,0|2,0,0]=4 5893 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100012276601_100009814033 [0,2,0,0,0,0|2,0,0]=4 5894 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,2,0,0,0,0|1,0,1]=4 5895 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [0,2,0,0,0,0|1,0,1]=4 5896 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,2,0,0,0,0|1,0,1]=4 5897 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,2,0,0,0,0|1,0,1]=4 5898 B10R0.98 CC(=O)CCCN(C)C(C)C 269982a_200000211004_100011215641 [0,2,0,0,0,0|2,0,0]=4 5899 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,2,0,0,0,0|1,0,1]=4 5900 B10R0.98 CC(=O)CCOC(C)C(C)C 7a_100000748068_100000053229 [0,2,0,0,0,0|2,0,0]=4 5901 B10R0.98 CC(Br)CCOC(C)C(=O)N 34a_100009893172_100000702099 [0,2,0,0,0,0|2,0,0]=4 5902 B10R0.98 CC(Br)CCOC(F)C(=O)N 34a_100009893172_100009813875 [0,2,0,0,0,0|2,0,0]=4 5903 B10R0.98 CC(Br)CCOC(F)C(=O)[O-] 34a_100009893172_100020610796 [0,2,0,0,0,0|1,0,1]=4 5904 B10R0.98 CC(C)C(=O)CCCC(=O)N 1458a_100000210198_100102525003 [0,2,0,0,0,0|1,0,1]=4 5905 B10R0.98 CC(C)C(=O)CNCC(=O)O 269956a_100016091260_100000753385 [0,2,0,0,0,0|1,0,1]=4 5906 B10R0.98 CC(C)C(C)NCCC(=O)N 2230a_100000211541_100000744528 [0,2,0,0,0,0|2,0,0]=4 5907 B10R0.98 CC(C)C(C)OCCC(=O)N 7a_100000748068_100000744528 [0,2,0,0,0,0|2,0,0]=4 5908 B10R0.98 CC(C)C(O)CNCC(=O)N 2230a_100000759067_100000747473 [0,2,0,0,0,0|2,0,0]=4 5909 B10R0.98 CC(C)C(O)CNCC(=O)N 34a_100000759067_100000187820 [0,2,0,0,0,0|2,0,0]=4 5910 B10R0.98 CC(C)C(O)CNCC(=O)[O-] 34a_100000759067_100020667443 [0,2,0,0,0,0|1,0,1]=4 5911 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,2,0,0,0,0|1,0,0]=3 5912 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000210312 [0,2,0,0,0,0|2,0,0]=4 5913 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000210312 [0,2,0,0,0,0|2,0,0]=4 5914 B10R0.98 CC(C)CCOC(C)C(=O)N 34a_100000210254_100000702099 [0,2,0,0,0,0|2,0,0]=4 5915 B10R0.98 CC(C)CCOC(C)C(=O)N 7a_100000210254_100000702099 [0,2,0,0,0,0|2,0,0]=4 5916 B10R0.98 CC(C)CCOC(F)C(=O)N 34a_100000210254_100009813875 [0,2,0,0,0,0|2,0,0]=4 5917 B10R0.98 CC(C)CCOC(F)C(=O)N 7a_100000210254_100009813875 [0,2,0,0,0,0|2,0,0]=4 5918 B10R0.98 CC(C)CCOC(F)C(=O)[O-] 34a_100000210254_100020610796 [0,2,0,0,0,0|1,0,1]=4 5919 B10R0.98 CC(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210626 [0,2,0,0,0,0|1,0,1]=4 5920 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000210312 [0,2,0,0,0,0|2,0,0]=4 5921 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000210626 [0,2,0,0,0,0|2,0,0]=4 5922 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000210312_100000702099 [0,2,0,0,0,0|2,0,0]=4 5923 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000702099_100000210312 [0,2,0,0,0,0|2,0,0]=4 5924 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100000210312_100009813875 [0,2,0,0,0,0|2,0,0]=4 5925 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100009813875_100000210312 [0,2,0,0,0,0|2,0,0]=4 5926 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100000210312_100020610796 [0,2,0,0,0,0|1,0,1]=4 5927 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100020610796_100000210312 [0,2,0,0,0,0|1,0,1]=4 5928 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,2,0,0,0,0|1,0,0]=3 5929 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,2,0,0,0,0|1,0,0]=3 5930 B10R0.98 CC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000210624 [0,2,0,0,0,0|2,0,0]=4 5931 B10R0.98 CC(C)N(C)CCCC(=O)N 269982a_200000211004_100102525003 [0,2,0,0,0,0|2,0,0]=4 5932 B10R0.98 CC(C)N(C)CCCC(=O)O 269956a_100000719178_100000210206 [0,2,0,0,0,0|1,0,0]=3 5933 B10R0.98 CC(C)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000709892 [0,2,0,0,0,0|2,0,0]=4 5934 B10R0.98 CC(C)[C@@H](N)COCC(=O)N 34a_100011830312_100000187820 [0,2,0,0,0,0|2,0,0]=4 5935 B10R0.98 CC(C)[C@@H](N)COCC(=O)[O-] 34a_100011830312_100020667443 [0,2,0,0,0,0|1,0,1]=4 5936 B10R0.98 CC(CNCC(F)F)C(=O)O 269956a_100000749485_100011934356 [0,2,0,0,0,0|2,0,0]=4 5937 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,2,0,0,0,0|1,0,0]=3 5938 B10R0.98 CC(F)C(=O)CCCC(=O)N 1458a_100000062450_100102525003 [0,2,0,0,0,0|1,0,1]=4 5939 B10R0.98 CC(O)CCNC(C)C(=O)N 2230a_200000755665_100000702099 [0,2,0,0,0,0|2,0,0]=4 5940 B10R0.98 CC(O)CCNC(F)C(=O)N 2230a_200000755665_100009813875 [0,2,0,0,0,0|2,0,0]=4 5941 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,2,0,0,0,0|1,0,0]=3 5942 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 2230a_100000119354_100012276601 [0,2,0,0,0,0|2,0,0]=4 5943 B10R0.98 CC(O)CCN[C@H](C)C(=O)N 34a_100000119354_100012276601 [0,2,0,0,0,0|2,0,0]=4 5944 B10R0.98 CC(O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100012276601 [0,2,0,0,0,0|1,0,1]=4 5945 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 34a_100000731257_100012276601 [0,2,0,0,0,0|2,0,0]=4 5946 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 7a_100000731257_100012276601 [0,2,0,0,0,0|2,0,0]=4 5947 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100000702099_100012276601 [0,2,0,0,0,0|2,0,0]=4 5948 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100012276601_100000702099 [0,2,0,0,0,0|2,0,0]=4 5949 B10R0.98 CC(O)CCSC(F)C(=O)N 62a_100009813875_100012276601 [0,2,0,0,0,0|2,0,0]=4 5950 B10R0.98 CC(O)CCSC(F)C(=O)N 62a_100012276601_100009813875 [0,2,0,0,0,0|2,0,0]=4 5951 B10R0.98 CC(O)CCSC(F)C(=O)[O-] 62a_100012276601_100020610796 [0,2,0,0,0,0|1,0,1]=4 5952 B10R0.98 CC(O)CCSC(F)C(=O)[O-] 62a_100020610796_100012276601 [0,2,0,0,0,0|1,0,1]=4 5953 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,2,0,0,0,0|1,0,0]=3 5954 B10R0.98 CC(O)CNCC(F)C(=O)O 269956a_100000084737_100011218427 [0,2,0,0,0,0|1,0,0]=3 5955 B10R0.98 CC(O)COC[C@H](N)C(=O)N 34a_100000729942_100011218427 [0,2,0,0,0,0|2,0,0]=4 5956 B10R0.98 CC(OCC[C@@H](C)N)C(=O)N 34a_100000706166_100000702099 [0,2,0,0,0,0|2,0,0]=4 5957 B10R0.98 C[C@@H](N)CCOC(F)C(=O)N 34a_100000706166_100009813875 [0,2,0,0,0,0|2,0,0]=4 5958 B10R0.98 C[C@@H](N)CCOC(F)C(=O)[O-] 34a_100000706166_100020610796 [0,2,0,0,0,0|1,0,1]=4 5959 B10R0.98 C[C@@H](O)C(=O)CCCC(=O)N 1458a_100000717761_100102525003 [0,2,0,0,0,0|1,0,1]=4 5960 B10R0.98 C[C@@H](O)CNCC(F)C(=O)O 269956a_100000084737_100009817552 [0,2,0,0,0,0|1,0,0]=3 5961 B10R0.98 C[C@@H](O)COC[C@H](N)C(=O)N 34a_100000729942_100009817552 [0,2,0,0,0,0|2,0,0]=4 5962 B10R0.98 C[C@H](NCCN(C)C)C(=O)O 269956a_100000743915_100000755713 [0,2,0,0,0,0|2,0,0]=4 5963 B10R0.98 C[C@H](O)C(=O)CCCC(=O)N 1458a_217856618621_100102525003 [0,2,0,0,0,0|1,0,1]=4 5964 B10R0.98 O=C(O)C(F)CNCC(F)F 269956a_100000084737_100011934356 [0,2,0,0,0,0|2,0,0]=4 5965 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000034748_200000210301 [0,2,0,0,0,0|1,0,0]=3 5966 B10R0.4 C#CCCCCCCC(=O)C 1458a_100000070787_100012276617 [0,2,0,0,0,0|1,0,0]=3 5967 B10R0.4 C#CCCCCCCC(=O)[13CH3] 1458a_100000034748_200025704644 [0,2,0,0,0,0|1,0,0]=3 5968 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000706060_100000747473 [0,2,0,0,0,0|1,0,1]=4 5969 B10R0.4 C#CCCCCNCC(=O)N 2230a_100000711301_100010269958 [0,2,0,0,0,0|1,0,1]=4 5970 B10R0.4 C#CCCCCNCC(=O)N 34a_100000706060_100000187820 [0,2,0,0,0,0|1,0,1]=4 5971 B10R0.4 C#CCCCCNCC(=O)O 269956a_100016091260_100010269958 [0,2,0,0,0,0|0,0,1]=3 5972 B10R0.4 C#CCCCCNCC(=O)[O-] 34a_100000706060_100020667443 [0,2,0,0,0,0|0,0,2]=4 5973 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [0,2,0,0,0,0|1,0,1]=4 5974 B10R0.4 C#CCCCCOCC(=O)N 34a_100000766709_100000187820 [0,2,0,0,0,0|1,0,1]=4 5975 B10R0.4 C#CCCCCOCC(=O)N 7a_100000766709_100000187820 [0,2,0,0,0,0|1,0,1]=4 5976 B10R0.4 C#CCCCCOCC(=O)[O-] 34a_100000766709_100020667443 [0,2,0,0,0,0|0,0,2]=4 5977 B10R0.4 C#CCCCCSCC(=O)N 62a_100000747473_100010269958 [0,2,0,0,0,0|1,0,1]=4 5978 B10R0.4 C#CCCCCSCC(=O)N 62a_100010269958_100000747473 [0,2,0,0,0,0|1,0,1]=4 5979 B10R0.4 C#CCCCCSCC(=O)[O-] 62a_100010269958_100020667443 [0,2,0,0,0,0|0,0,2]=4 5980 B10R0.4 C#CCCCCSCC(=O)[O-] 62a_100020667443_100010269958 [0,2,0,0,0,0|0,0,2]=4 5981 B10R0.4 C#CCCCNCCC(=O)N 34a_100000718082_100000731001 [0,2,0,0,0,0|1,0,1]=4 5982 B10R0.4 C#CCCCNOCC(=O)O 269956a_100000106656_100011215417 [0,2,0,0,0,0|0,0,2]=4 5983 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [0,2,0,0,0,0|1,0,1]=4 5984 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [0,2,0,0,0,0|1,0,1]=4 5985 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [0,2,0,0,0,0|1,0,1]=4 5986 B10R0.4 C#CCCCOCCC(=O)N 34a_100000215630_100000731001 [0,2,0,0,0,0|1,0,1]=4 5987 B10R0.4 C#CCCCOCCC(=O)N 34a_100000757172_100000695029 [0,2,0,0,0,0|1,0,1]=4 5988 B10R0.4 C#CCCCOCCC(=O)N 7a_100000215630_100000744528 [0,2,0,0,0,0|1,0,1]=4 5989 B10R0.4 C#CCCCOCCC(=O)N 7a_100000757172_100011215417 [0,2,0,0,0,0|1,0,1]=4 5990 B10R0.4 C#CCCCSCCC(=O)C 62a_100000053229_100011215417 [0,2,0,0,0,0|1,0,1]=4 5991 B10R0.4 C#CCCCSCCC(=O)C 62a_100011215417_100000053229 [0,2,0,0,0,0|1,0,1]=4 5992 B10R0.4 C#CCCCSCCC(=O)N 62a_100000744528_100011215417 [0,2,0,0,0,0|1,0,1]=4 5993 B10R0.4 C#CCCCSCCC(=O)N 62a_100011215417_100000744528 [0,2,0,0,0,0|1,0,1]=4 5994 B10R0.4 C#CCCNCCCC(=O)C 34a_100000755551_100000685027 [0,2,0,0,0,0|1,0,1]=4 5995 B10R0.4 C#CCCNCCCC(=O)N 34a_100000739312_100000688953 [0,2,0,0,0,0|1,0,1]=4 5996 B10R0.4 C#CCCNCCCC(=O)N 34a_100000755551_100102525003 [0,2,0,0,0,0|1,0,1]=4 5997 B10R0.4 C#CCCOCCCC(=O)C 34a_100000759063_100000688953 [0,2,0,0,0,0|1,0,1]=4 5998 B10R0.4 C#CCCOCCCC(=O)C 34a_100011215631_100000685027 [0,2,0,0,0,0|1,0,1]=4 5999 B10R0.4 C#CCCOCCCC(=O)C 7a_100000759063_100000688953 [0,2,0,0,0,0|1,0,1]=4 6000 B10R0.4 C#CCCOCCCC(=O)N 34a_100011215631_100102525003 [0,2,0,0,0,0|1,0,1]=4 6001 B10R0.4 C#CCCSCCCC(=O)C 62a_100000688953_100011215641 [0,2,0,0,0,0|1,0,1]=4 6002 B10R0.4 C#CCCSCCCC(=O)C 62a_100011215641_100000688953 [0,2,0,0,0,0|1,0,1]=4 6003 B10R0.4 C#CCCSCCCC(=O)N 62a_100000688953_100102525003 [0,2,0,0,0,0|1,0,1]=4 6004 B10R0.4 C#CCCSCCCC(=O)N 62a_100102525003_100000688953 [0,2,0,0,0,0|1,0,1]=4 6005 B10R0.4 C#CCNCCCCC(=O)C 34a_100000212058_100009817362 [0,2,0,0,0,0|1,0,1]=4 6006 B10R0.4 C#CCNCCCCC(=O)N 34a_100000696515_100000184674 [0,2,0,0,0,0|1,0,1]=4 6007 B10R0.4 C#CCNCCOCC(=O)O 269956a_100000700818_100000184674 [0,2,0,0,0,0|0,0,2]=4 6008 B10R0.4 C#CCOCCCCC(=O)C 34a_100000210247_100009817362 [0,2,0,0,0,0|1,0,1]=4 6009 B10R0.4 C#CCOCCCCC(=O)N 34a_100012022536_100000184674 [0,2,0,0,0,0|1,0,1]=4 6010 B10R0.4 C#CCOCCCCC(=O)N 7a_100012022536_100000038162 [0,2,0,0,0,0|1,0,1]=4 6011 B10R0.4 C#CCOCCNCC(=O)O 269956a_100016091260_100010402529 [0,2,0,0,0,0|0,0,2]=4 6012 B10R0.4 C#CCSCCCCC(=O)C 62a_100000038162_100000735457 [0,2,0,0,0,0|1,0,1]=4 6013 B10R0.4 C/C=C/CCOCCC(=O)N 34a_100016278192_100000731001 [0,2,0,0,0,0|1,0,1]=4 6014 B10R0.4 C/C=C/CNCCCC(=O)N 34a_100000739312_100102629194 [0,2,0,0,0,0|1,0,1]=4 6015 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [0,2,0,0,0,0|1,0,1]=4 6016 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [0,2,0,0,0,0|1,0,1]=4 6017 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [0,2,0,0,0,0|1,0,1]=4 6018 B10R0.4 C/C=C/COCCCC(=O)N 34a_100016270725_100102525003 [0,2,0,0,0,0|1,0,1]=4 6019 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [0,2,0,0,0,0|1,0,1]=4 6020 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [0,2,0,0,0,0|1,0,1]=4 6021 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102525003_100102629194 [0,2,0,0,0,0|1,0,1]=4 6022 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102629194_100102525003 [0,2,0,0,0,0|1,0,1]=4 6023 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [0,2,0,0,0,0|2,0,0]=4 6024 B10R0.4 C=C(Br)CCOCCCCF 34a_100009813270_100000729493 [0,2,0,0,0,0|2,0,0]=4 6025 B10R0.4 C=C(Br)CCOCCCCO 34a_100009813270_100011216708 [0,2,0,0,0,0|2,0,0]=4 6026 B10R0.4 C=C(Br)CCOCCCOC 34a_100009813270_100000740836 [0,2,0,0,0,0|2,0,0]=4 6027 B10R0.4 C=C(Br)CCOCCOCC 34a_100009813270_100000210147 [0,2,0,0,0,0|2,0,0]=4 6028 B10R0.4 C=C(Br)CCOCCSCC 34a_100009813270_100000757381 [0,2,0,0,0,0|2,0,0]=4 6029 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [0,2,0,0,0,0|2,0,0]=4 6030 B10R0.4 C=C(C)CCNCCCCO 2230a_100000750430_100000730704 [0,2,0,0,0,0|2,0,0]=4 6031 B10R0.4 C=C(C)CCNCCCCO 34a_100000750430_100000730704 [0,2,0,0,0,0|2,0,0]=4 6032 B10R0.4 C=C(C)CCNCCCOC 34a_100150723488_100000730704 [0,2,0,0,0,0|2,0,0]=4 6033 B10R0.4 C=C(C)CCNCCCSC 2230a_100000749238_100000730704 [0,2,0,0,0,0|2,0,0]=4 6034 B10R0.4 C=C(C)CCNCCOCC 2230a_102516460346_100000730704 [0,2,0,0,0,0|2,0,0]=4 6035 B10R0.4 C=C(C)CCNCCOCC 34a_102516460346_100000730704 [0,2,0,0,0,0|2,0,0]=4 6036 B10R0.4 C=C(C)CCNCCSCC 2230a_100000106463_100000730704 [0,2,0,0,0,0|2,0,0]=4 6037 B10R0.4 C=C(C)CCOCCCCBr 34a_100011216708_100000730704 [0,2,0,0,0,0|2,0,0]=4 6038 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [0,2,0,0,0,0|2,0,0]=4 6039 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [0,2,0,0,0,0|2,0,0]=4 6040 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [0,2,0,0,0,0|2,0,0]=4 6041 B10R0.4 C=C(C)CCOCCCCCl 34a_100000210776_100000730704 [0,2,0,0,0,0|2,0,0]=4 6042 B10R0.4 C=C(C)CCOCCCCCl 7a_100000210776_100000730704 [0,2,0,0,0,0|2,0,0]=4 6043 B10R0.4 C=C(C)CCOCCCCF 34a_100000764851_100000729493 [0,2,0,0,0,0|2,0,0]=4 6044 B10R0.4 C=C(C)CCOCCCCF 34a_100011995726_100000730704 [0,2,0,0,0,0|2,0,0]=4 6045 B10R0.4 C=C(C)CCOCCCCF 7a_100011995726_100000730704 [0,2,0,0,0,0|2,0,0]=4 6046 B10R0.4 C=C(C)CCOCCCCI 34a_200012148704_100000730704 [0,2,0,0,0,0|2,0,0]=4 6047 B10R0.4 C=C(C)CCOCCCCN 34a_100000750430_100000730704 [0,2,0,0,0,0|2,0,0]=4 6048 B10R0.4 C=C(C)CCOCCCCO 34a_100000764851_100011216708 [0,2,0,0,0,0|2,0,0]=4 6049 B10R0.4 C=C(C)CCOCCCNC 34a_100000213112_100000730704 [0,2,0,0,0,0|2,0,0]=4 6050 B10R0.4 C=C(C)CCOCCCOC 34a_100000740835_100000730704 [0,2,0,0,0,0|2,0,0]=4 6051 B10R0.4 C=C(C)CCOCCCOC 34a_100000764851_100000740836 [0,2,0,0,0,0|2,0,0]=4 6052 B10R0.4 C=C(C)CCOCCCSC 34a_100000690336_100000730704 [0,2,0,0,0,0|2,0,0]=4 6053 B10R0.4 C=C(C)CCOCCCSC 7a_100000690336_100000730704 [0,2,0,0,0,0|2,0,0]=4 6054 B10R0.4 C=C(C)CCOCCOCC 34a_100000210136_100000730704 [0,2,0,0,0,0|2,0,0]=4 6055 B10R0.4 C=C(C)CCOCCOCC 34a_100000764851_100000210147 [0,2,0,0,0,0|2,0,0]=4 6056 B10R0.4 C=C(C)CCOCCOCC 7a_100000210136_100000730704 [0,2,0,0,0,0|2,0,0]=4 6057 B10R0.4 C=C(C)CCOCCSCC 34a_100000212035_100000730704 [0,2,0,0,0,0|2,0,0]=4 6058 B10R0.4 C=C(C)CCOCCSCC 34a_100000764851_100000757381 [0,2,0,0,0,0|2,0,0]=4 6059 B10R0.4 C=C(C)CCOCCSCC 7a_100000212035_100000730704 [0,2,0,0,0,0|2,0,0]=4 6060 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [0,2,0,0,0,0|2,0,0]=4 6061 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [0,2,0,0,0,0|2,0,0]=4 6062 B10R0.4 C=C(C)CCSCCCCF 62a_100000729493_100000730704 [0,2,0,0,0,0|2,0,0]=4 6063 B10R0.4 C=C(C)CCSCCCCF 62a_100000730704_100000729493 [0,2,0,0,0,0|2,0,0]=4 6064 B10R0.4 C=C(C)CCSCCCCO 62a_100000210776_100000730704 [0,2,0,0,0,0|2,0,0]=4 6065 B10R0.4 C=C(C)CCSCCCCO 62a_100000730704_100000210776 [0,2,0,0,0,0|2,0,0]=4 6066 B10R0.4 C=C(C)CCSCCCOC 62a_100000709357_100000730704 [0,2,0,0,0,0|2,0,0]=4 6067 B10R0.4 C=C(C)CCSCCCOC 62a_100000730704_100000709357 [0,2,0,0,0,0|2,0,0]=4 6068 B10R0.4 C=C(C)CCSCCOCC 62a_100000210147_100000730704 [0,2,0,0,0,0|2,0,0]=4 6069 B10R0.4 C=C(C)CCSCCOCC 62a_100000730704_100011215890 [0,2,0,0,0,0|2,0,0]=4 6070 B10R0.4 C=C(C)CCSCCSCC 62a_100000730704_100000757381 [0,2,0,0,0,0|2,0,0]=4 6071 B10R0.4 C=C(C)CCSCCSCC 62a_100000757381_100000730704 [0,2,0,0,0,0|2,0,0]=4 6072 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [0,2,0,0,0,0|2,0,0]=4 6073 B10R0.4 C=C(C)CNCCCCCO 2230a_100000762737_100000748629 [0,2,0,0,0,0|2,0,0]=4 6074 B10R0.4 C=C(C)CNCCCCCO 34a_100000762737_100000748629 [0,2,0,0,0,0|2,0,0]=4 6075 B10R0.4 C=C(C)CNCCCOCC 2230a_100000210961_100000748629 [0,2,0,0,0,0|2,0,0]=4 6076 B10R0.4 C=C(C)CNCCCOCC 34a_100000210961_100000748629 [0,2,0,0,0,0|2,0,0]=4 6077 B10R0.4 C=C(C)CNCCOCCC 2230a_100161115042_100000748629 [0,2,0,0,0,0|2,0,0]=4 6078 B10R0.4 C=C(C)CNCCOCCC 34a_100161115042_100000748629 [0,2,0,0,0,0|2,0,0]=4 6079 B10R0.4 C=C(C)CNCCSCCC 2230a_100020603323_100000748629 [0,2,0,0,0,0|2,0,0]=4 6080 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [0,2,0,0,0,0|2,0,0]=4 6081 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [0,2,0,0,0,0|2,0,0]=4 6082 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [0,2,0,0,0,0|2,0,0]=4 6083 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [0,2,0,0,0,0|2,0,0]=4 6084 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [0,2,0,0,0,0|2,0,0]=4 6085 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [0,2,0,0,0,0|2,0,0]=4 6086 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [0,2,0,0,0,0|2,0,0]=4 6087 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [0,2,0,0,0,0|2,0,0]=4 6088 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [0,2,0,0,0,0|2,0,0]=4 6089 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [0,2,0,0,0,0|2,0,0]=4 6090 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [0,2,0,0,0,0|2,0,0]=4 6091 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [0,2,0,0,0,0|2,0,0]=4 6092 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [0,2,0,0,0,0|2,0,0]=4 6093 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [0,2,0,0,0,0|2,0,0]=4 6094 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [0,2,0,0,0,0|2,0,0]=4 6095 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [0,2,0,0,0,0|2,0,0]=4 6096 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [0,2,0,0,0,0|2,0,0]=4 6097 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [0,2,0,0,0,0|2,0,0]=4 6098 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [0,2,0,0,0,0|2,0,0]=4 6099 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [0,2,0,0,0,0|2,0,0]=4 6100 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [0,2,0,0,0,0|2,0,0]=4 6101 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [0,2,0,0,0,0|2,0,0]=4 6102 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [0,2,0,0,0,0|2,0,0]=4 6103 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [0,2,0,0,0,0|2,0,0]=4 6104 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [0,2,0,0,0,0|2,0,0]=4 6105 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [0,2,0,0,0,0|2,0,0]=4 6106 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [0,2,0,0,0,0|2,0,0]=4 6107 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [0,2,0,0,0,0|2,0,0]=4 6108 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [0,2,0,0,0,0|2,0,0]=4 6109 B10R0.4 C=C(C)CSCCCCCF 62a_100000729378_100000211660 [0,2,0,0,0,0|2,0,0]=4 6110 B10R0.4 C=C(C)CSCCCCCF 62a_100000748629_100000729378 [0,2,0,0,0,0|2,0,0]=4 6111 B10R0.4 C=C(C)CSCCCCCO 62a_100000746330_100000211660 [0,2,0,0,0,0|2,0,0]=4 6112 B10R0.4 C=C(C)CSCCCCCO 62a_100000748629_100000746330 [0,2,0,0,0,0|2,0,0]=4 6113 B10R0.4 C=C(C)CSCCCCOC 62a_100000730899_100000211660 [0,2,0,0,0,0|2,0,0]=4 6114 B10R0.4 C=C(C)CSCCCCOC 62a_100000748629_100000730899 [0,2,0,0,0,0|2,0,0]=4 6115 B10R0.4 C=C(C)CSCCCOCC 62a_100000748629_100012232248 [0,2,0,0,0,0|2,0,0]=4 6116 B10R0.4 C=C(C)CSCCCOCC 62a_100012232248_100000211660 [0,2,0,0,0,0|2,0,0]=4 6117 B10R0.4 C=C(C)CSCCOCCC 62a_100000748629_100011215938 [0,2,0,0,0,0|2,0,0]=4 6118 B10R0.4 C=C(C)CSCCOCCC 62a_100011215938_100000211660 [0,2,0,0,0,0|2,0,0]=4 6119 B10R0.4 C=C(C)CSCOCCCC 62a_100000748629_100011995733 [0,2,0,0,0,0|2,0,0]=4 6120 B10R0.4 C=C(C)CSCOCCCC 62a_100011995733_100000211660 [0,2,0,0,0,0|2,0,0]=4 6121 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [0,2,0,0,0,0|2,0,0]=4 6122 B10R0.4 C=C(F)CNCCCCCO 2230a_100000762737_100009893438 [0,2,0,0,0,0|2,0,0]=4 6123 B10R0.4 C=C(F)CNCCCCCO 34a_100000762737_100009893438 [0,2,0,0,0,0|2,0,0]=4 6124 B10R0.4 C=C(F)CNCCCOCC 2230a_100000210961_100009893438 [0,2,0,0,0,0|2,0,0]=4 6125 B10R0.4 C=C(F)CNCCCOCC 34a_100000210961_100009893438 [0,2,0,0,0,0|2,0,0]=4 6126 B10R0.4 C=C(F)CNCCOCCC 2230a_100161115042_100009893438 [0,2,0,0,0,0|2,0,0]=4 6127 B10R0.4 C=C(F)CNCCOCCC 34a_100161115042_100009893438 [0,2,0,0,0,0|2,0,0]=4 6128 B10R0.4 C=C(F)CNCCSCCC 2230a_100020603323_100009893438 [0,2,0,0,0,0|2,0,0]=4 6129 B10R0.4 C=C(F)COCCCCCBr 34a_100000746331_100009893438 [0,2,0,0,0,0|2,0,0]=4 6130 B10R0.4 C=C(F)COCCCCCBr 7a_100000746331_100000042424 [0,2,0,0,0,0|2,0,0]=4 6131 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [0,2,0,0,0,0|2,0,0]=4 6132 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [0,2,0,0,0,0|2,0,0]=4 6133 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [0,2,0,0,0,0|2,0,0]=4 6134 B10R0.4 C=C(F)COCCCCCCl 34a_100000746330_100009893438 [0,2,0,0,0,0|2,0,0]=4 6135 B10R0.4 C=C(F)COCCCCCCl 7a_100000746330_100000042424 [0,2,0,0,0,0|2,0,0]=4 6136 B10R0.4 C=C(F)COCCCCCF 34a_200010262243_100000729378 [0,2,0,0,0,0|2,0,0]=4 6137 B10R0.4 C=C(F)COCCCCCI 34a_200012148887_100009893438 [0,2,0,0,0,0|2,0,0]=4 6138 B10R0.4 C=C(F)COCCCCCI 7a_200012148887_100000042424 [0,2,0,0,0,0|2,0,0]=4 6139 B10R0.4 C=C(F)COCCCCCN 34a_100000762737_100009893438 [0,2,0,0,0,0|2,0,0]=4 6140 B10R0.4 C=C(F)COCCCCCO 34a_200010262243_100000746330 [0,2,0,0,0,0|2,0,0]=4 6141 B10R0.4 C=C(F)COCCCCOC 34a_100000740925_100009893438 [0,2,0,0,0,0|2,0,0]=4 6142 B10R0.4 C=C(F)COCCCCOC 34a_200010262243_100000755781 [0,2,0,0,0,0|2,0,0]=4 6143 B10R0.4 C=C(F)COCCCCSC 34a_100011217163_100009893438 [0,2,0,0,0,0|2,0,0]=4 6144 B10R0.4 C=C(F)COCCCCSC 7a_100011217163_100000042424 [0,2,0,0,0,0|2,0,0]=4 6145 B10R0.4 C=C(F)COCCCOCC 34a_100000757476_100009893438 [0,2,0,0,0,0|2,0,0]=4 6146 B10R0.4 C=C(F)COCCCOCC 34a_200010262243_100012232248 [0,2,0,0,0,0|2,0,0]=4 6147 B10R0.4 C=C(F)COCCCOCC 7a_100000757476_100000042424 [0,2,0,0,0,0|2,0,0]=4 6148 B10R0.4 C=C(F)COCCCSCC 34a_100011216438_100009893438 [0,2,0,0,0,0|2,0,0]=4 6149 B10R0.4 C=C(F)COCCCSCC 7a_100011216438_100000042424 [0,2,0,0,0,0|2,0,0]=4 6150 B10R0.4 C=C(F)COCCOCCC 34a_100000752267_100009893438 [0,2,0,0,0,0|2,0,0]=4 6151 B10R0.4 C=C(F)COCCOCCC 34a_200010262243_100011215938 [0,2,0,0,0,0|2,0,0]=4 6152 B10R0.4 C=C(F)COCCOCCC 7a_100000752267_100000042424 [0,2,0,0,0,0|2,0,0]=4 6153 B10R0.4 C=C(F)COCCSCCC 34a_200000230433_100009893438 [0,2,0,0,0,0|2,0,0]=4 6154 B10R0.4 C=C(F)COCCSCCC 7a_200000230433_100000042424 [0,2,0,0,0,0|2,0,0]=4 6155 B10R0.4 C=C(F)COCOCCCC 34a_200010262243_100011995733 [0,2,0,0,0,0|2,0,0]=4 6156 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [0,2,0,0,0,0|2,0,0]=4 6157 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [0,2,0,0,0,0|2,0,0]=4 6158 B10R0.4 C=C(F)CSCCCCCF 62a_100000042424_100000729378 [0,2,0,0,0,0|2,0,0]=4 6159 B10R0.4 C=C(F)CSCCCCCF 62a_100000729378_100000042424 [0,2,0,0,0,0|2,0,0]=4 6160 B10R0.4 C=C(F)CSCCCCCO 62a_100000042424_100000746330 [0,2,0,0,0,0|2,0,0]=4 6161 B10R0.4 C=C(F)CSCCCCCO 62a_100000746330_100000042424 [0,2,0,0,0,0|2,0,0]=4 6162 B10R0.4 C=C(F)CSCCCCOC 62a_100000042424_100000730899 [0,2,0,0,0,0|2,0,0]=4 6163 B10R0.4 C=C(F)CSCCCCOC 62a_100000730899_100000042424 [0,2,0,0,0,0|2,0,0]=4 6164 B10R0.4 C=C(F)CSCCCOCC 62a_100000042424_100012232248 [0,2,0,0,0,0|2,0,0]=4 6165 B10R0.4 C=C(F)CSCCCOCC 62a_100012232248_100000042424 [0,2,0,0,0,0|2,0,0]=4 6166 B10R0.4 C=C(F)CSCCOCCC 62a_100000042424_100011215938 [0,2,0,0,0,0|2,0,0]=4 6167 B10R0.4 C=C(F)CSCCOCCC 62a_100011215938_100000042424 [0,2,0,0,0,0|2,0,0]=4 6168 B10R0.4 C=C(F)CSCOCCCC 62a_100000042424_100011995733 [0,2,0,0,0,0|2,0,0]=4 6169 B10R0.4 C=C(F)CSCOCCCC 62a_100011995733_100000042424 [0,2,0,0,0,0|2,0,0]=4 6170 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,2,0,0,0,0|1,0,0]=3 6171 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,2,0,0,0,0|1,0,0]=3 6172 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,2,0,0,0,0|1,0,0]=3 6173 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000703577_100000747473 [0,2,0,0,0,0|1,0,1]=4 6174 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000711301_100011215482 [0,2,0,0,0,0|1,0,1]=4 6175 B10R0.4 C=CCCCCNCC(=O)N 34a_100000703577_100000187820 [0,2,0,0,0,0|1,0,1]=4 6176 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [0,2,0,0,0,0|0,0,1]=3 6177 B10R0.4 C=CCCCCNCC(=O)[O-] 34a_100000703577_100020667443 [0,2,0,0,0,0|0,0,2]=4 6178 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [0,2,0,0,0,0|1,0,1]=4 6179 B10R0.4 C=CCCCCOCC(=O)N 34a_100000766645_100000187820 [0,2,0,0,0,0|1,0,1]=4 6180 B10R0.4 C=CCCCCOCC(=O)N 7a_100000766645_100000187820 [0,2,0,0,0,0|1,0,1]=4 6181 B10R0.4 C=CCCCCOCC(=O)[O-] 34a_100000766645_100020667443 [0,2,0,0,0,0|0,0,2]=4 6182 B10R0.4 C=CCCCCSCC(=O)N 62a_100000747473_100011215482 [0,2,0,0,0,0|1,0,1]=4 6183 B10R0.4 C=CCCCCSCC(=O)N 62a_100011215482_100000747473 [0,2,0,0,0,0|1,0,1]=4 6184 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100011215482_100020667443 [0,2,0,0,0,0|0,0,2]=4 6185 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100020667443_100011215482 [0,2,0,0,0,0|0,0,2]=4 6186 B10R0.4 C=CCCCNCCC(=O)N 2230a_100000700776_100000744528 [0,2,0,0,0,0|1,0,1]=4 6187 B10R0.4 C=CCCCNCCC(=O)N 34a_100000700776_100000731001 [0,2,0,0,0,0|1,0,1]=4 6188 B10R0.4 C=CCCCNOCC(=O)O 269956a_100000106656_100011713584 [0,2,0,0,0,0|0,0,2]=4 6189 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [0,2,0,0,0,0|1,0,1]=4 6190 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [0,2,0,0,0,0|1,0,1]=4 6191 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [0,2,0,0,0,0|1,0,1]=4 6192 B10R0.4 C=CCCCOCCC(=O)N 34a_100000757172_100000757094 [0,2,0,0,0,0|1,0,1]=4 6193 B10R0.4 C=CCCCOCCC(=O)N 34a_100000758997_100000731001 [0,2,0,0,0,0|1,0,1]=4 6194 B10R0.4 C=CCCCOCCC(=O)N 7a_100000757172_100000757094 [0,2,0,0,0,0|1,0,1]=4 6195 B10R0.4 C=CCCCOCCC(=O)N 7a_100000758997_100000744528 [0,2,0,0,0,0|1,0,1]=4 6196 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [0,2,0,0,0,0|1,0,1]=4 6197 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [0,2,0,0,0,0|1,0,1]=4 6198 B10R0.4 C=CCCCSCCC(=O)N 62a_100000744528_100000757094 [0,2,0,0,0,0|1,0,1]=4 6199 B10R0.4 C=CCCCSCCC(=O)N 62a_100011713584_100000744528 [0,2,0,0,0,0|1,0,1]=4 6200 B10R0.4 C=CCCNCCCC(=O)N 34a_100000739312_100000754431 [0,2,0,0,0,0|1,0,1]=4 6201 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [0,2,0,0,0,0|1,0,1]=4 6202 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [0,2,0,0,0,0|1,0,1]=4 6203 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [0,2,0,0,0,0|1,0,1]=4 6204 B10R0.4 C=CCCOCCCC(=O)N 34a_100011205117_100102525003 [0,2,0,0,0,0|1,0,1]=4 6205 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [0,2,0,0,0,0|1,0,1]=4 6206 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [0,2,0,0,0,0|1,0,1]=4 6207 B10R0.4 C=CCCSCCCC(=O)N 62a_100000754431_100102525003 [0,2,0,0,0,0|1,0,1]=4 6208 B10R0.4 C=CCCSCCCC(=O)N 62a_100102525003_100000754431 [0,2,0,0,0,0|1,0,1]=4 6209 B10R0.4 C=CCNCCCCC(=O)N 34a_100000696515_100015514636 [0,2,0,0,0,0|1,0,1]=4 6210 B10R0.4 C=CCNCCOCC(=O)O 269956a_100000700818_100000210623 [0,2,0,0,0,0|0,0,2]=4 6211 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [0,2,0,0,0,0|1,0,1]=4 6212 B10R0.4 C=CCOCCCCC(=O)N 34a_100012022536_100015514636 [0,2,0,0,0,0|1,0,1]=4 6213 B10R0.4 C=CCOCCCCC(=O)N 7a_100012022536_100015514636 [0,2,0,0,0,0|1,0,1]=4 6214 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [0,2,0,0,0,0|1,0,1]=4 6215 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [0,2,0,0,0,0|1,0,1]=4 6216 B10R0.4 CC#CCCOCCC(=O)N 34a_100000750427_100000731001 [0,2,0,0,0,0|1,0,1]=4 6217 B10R0.4 CC#CCNCCCC(=O)C 34a_100000685387_100000685027 [0,2,0,0,0,0|1,0,1]=4 6218 B10R0.4 CC#CCNCCCC(=O)N 34a_100000685387_100102525003 [0,2,0,0,0,0|1,0,1]=4 6219 B10R0.4 CC#CCNCCCC(=O)N 34a_100000739312_100000748600 [0,2,0,0,0,0|1,0,1]=4 6220 B10R0.4 CC#CCOCCCC(=O)C 34a_100000759063_100000748600 [0,2,0,0,0,0|1,0,1]=4 6221 B10R0.4 CC#CCOCCCC(=O)C 34a_100000761923_100000685027 [0,2,0,0,0,0|1,0,1]=4 6222 B10R0.4 CC#CCOCCCC(=O)C 7a_100000759063_100000748600 [0,2,0,0,0,0|1,0,1]=4 6223 B10R0.4 CC#CCOCCCC(=O)N 34a_100000761923_100102525003 [0,2,0,0,0,0|1,0,1]=4 6224 B10R0.4 CC#CCSCCCC(=O)C 62a_100000748600_100011215641 [0,2,0,0,0,0|1,0,1]=4 6225 B10R0.4 CC#CCSCCCC(=O)C 62a_100011215641_100000748600 [0,2,0,0,0,0|1,0,1]=4 6226 B10R0.4 CC#CCSCCCC(=O)N 62a_100000748600_100102525003 [0,2,0,0,0,0|1,0,1]=4 6227 B10R0.4 CC#CCSCCCC(=O)N 62a_100102525003_100000748600 [0,2,0,0,0,0|1,0,1]=4 6228 B10R0.4 CC(=O)CCCCCCC#N 1458a_100000070787_100009813337 [0,2,0,0,0,0|1,0,0]=3 6229 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [0,2,0,0,0,0|1,0,0]=3 6230 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [0,2,0,0,0,0|1,0,0]=3 6231 B10R0.4 CC(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200000210301 [0,2,0,0,0,0|2,0,0]=4 6232 B10R0.4 CC(=O)CCCCNCCF 34a_100000724931_100009817362 [0,2,0,0,0,0|1,0,0]=3 6233 B10R0.4 CC(=O)CCCCNCCO 34a_100016990907_100009817362 [0,2,0,0,0,0|1,0,0]=3 6234 B10R0.4 CC(=O)CCCCOCCBr 34a_100000211926_100009817362 [0,2,0,0,0,0|1,0,0]=3 6235 B10R0.4 CC(=O)CCCCOCCN 34a_100000210304_100009817362 [0,2,0,0,0,0|1,0,0]=3 6236 B10R0.4 CC(=O)CCCCSCC#N 62a_100000735457_100011215382 [0,2,0,0,0,0|1,0,1]=4 6237 B10R0.4 CC(=O)CCCCSCC#N 62a_100011215382_100000735457 [0,2,0,0,0,0|1,0,1]=4 6238 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [0,2,0,0,0,0|1,0,1]=4 6239 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [0,2,0,0,0,0|1,0,1]=4 6240 B10R0.4 CC(=O)CCCCSCCF 62a_100000735457_100011217306 [0,2,0,0,0,0|1,0,0]=3 6241 B10R0.4 CC(=O)CCCCSCCF 62a_100011217306_100000735457 [0,2,0,0,0,0|1,0,0]=3 6242 B10R0.4 CC(=O)CCCCSCCO 62a_100000211926_100000735457 [0,2,0,0,0,0|1,0,0]=3 6243 B10R0.4 CC(=O)CCCCSCCO 62a_100000735457_100000211926 [0,2,0,0,0,0|1,0,0]=3 6244 B10R0.4 CC(=O)CCCNCCCF 34a_100015189416_100000685027 [0,2,0,0,0,0|1,0,0]=3 6245 B10R0.4 CC(=O)CCCOCCC#N 7a_100000759063_100000184422 [0,2,0,0,0,0|1,0,1]=4 6246 B10R0.4 CC(=O)CCCOCCCBr 34a_100011217188_100000685027 [0,2,0,0,0,0|1,0,0]=3 6247 B10R0.4 CC(=O)CCCOCCCCl 34a_100000230001_100000685027 [0,2,0,0,0,0|1,0,0]=3 6248 B10R0.4 CC(=O)CCCOCCCF 34a_100000759063_100011934791 [0,2,0,0,0,0|1,0,0]=3 6249 B10R0.4 CC(=O)CCCOCCCF 34a_100000759539_100000685027 [0,2,0,0,0,0|1,0,0]=3 6250 B10R0.4 CC(=O)CCCOCCCF 7a_100000759063_100011934791 [0,2,0,0,0,0|1,0,0]=3 6251 B10R0.4 CC(=O)CCCOCCCN 34a_100000182051_100000685027 [0,2,0,0,0,0|1,0,0]=3 6252 B10R0.4 CC(=O)CCCOCCCO 34a_100000759063_100000230001 [0,2,0,0,0,0|1,0,0]=3 6253 B10R0.4 CC(=O)CCCOCCCO 7a_100000759063_100011215043 [0,2,0,0,0,0|1,0,0]=3 6254 B10R0.4 CC(=O)CCCOCCON 34a_100000700252_100000685027 [0,2,0,0,0,0|2,0,0]=4 6255 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215226_100011215641 [0,2,0,0,0,0|1,0,1]=4 6256 B10R0.4 CC(=O)CCCSCCC#N 62a_100011215641_100011215226 [0,2,0,0,0,0|1,0,1]=4 6257 B10R0.4 CC(=O)CCCSCCCF 62a_100011215641_100011934791 [0,2,0,0,0,0|1,0,0]=3 6258 B10R0.4 CC(=O)CCCSCCCF 62a_100011934791_100011215641 [0,2,0,0,0,0|1,0,0]=3 6259 B10R0.4 CC(=O)CCCSCCCO 62a_100011215043_100011215641 [0,2,0,0,0,0|1,0,0]=3 6260 B10R0.4 CC(=O)CCCSCCCO 62a_100011215641_100011215043 [0,2,0,0,0,0|1,0,0]=3 6261 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [0,2,0,0,0,0|1,0,1]=4 6262 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [0,2,0,0,0,0|1,0,1]=4 6263 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,2,0,0,0,0|1,0,0]=3 6264 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,2,0,0,0,0|1,0,0]=3 6265 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,2,0,0,0,0|1,0,0]=3 6266 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,2,0,0,0,0|1,0,0]=3 6267 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,2,0,0,0,0|1,0,0]=3 6268 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,2,0,0,0,0|1,0,0]=3 6269 B10R0.4 CC(=O)CCSCCCC#N 62a_100000053229_100000687738 [0,2,0,0,0,0|1,0,1]=4 6270 B10R0.4 CC(=O)CCSCCCC#N 62a_100000687738_100000053229 [0,2,0,0,0,0|1,0,1]=4 6271 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [0,2,0,0,0,0|1,0,1]=4 6272 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [0,2,0,0,0,0|1,0,1]=4 6273 B10R0.4 CC(=O)CCSCCCCF 62a_100000053229_100000729493 [0,2,0,0,0,0|1,0,0]=3 6274 B10R0.4 CC(=O)CCSCCCCF 62a_100000729493_100000053229 [0,2,0,0,0,0|1,0,0]=3 6275 B10R0.4 CC(=O)CCSCCCCO 62a_100000053229_100000210776 [0,2,0,0,0,0|1,0,0]=3 6276 B10R0.4 CC(=O)CCSCCCCO 62a_100000210776_100000053229 [0,2,0,0,0,0|1,0,0]=3 6277 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,2,0,0,0,0|1,0,0]=3 6278 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,2,0,0,0,0|1,0,0]=3 6279 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,2,0,0,0,0|2,0,0]=4 6280 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,2,0,0,0,0|2,0,0]=4 6281 B10R0.4 CC(=O)NCCCCCC#N 11a_100000061152_100015343762 [0,2,0,0,0,0|1,0,1]=4 6282 B10R0.4 CC(=O)NCCCCCC#N 1626a_100000061152_100015343762 [0,2,0,0,0,0|1,0,1]=4 6283 B10R0.4 CC(=O)NCCCCCC#N 240690a_100000061152_100015343762 [0,2,0,0,0,0|1,0,1]=4 6284 B10R0.4 CC(=O)NCCCCCC#N 527a_100000061152_100103153847 [0,2,0,0,0,0|1,0,1]=4 6285 B10R0.4 CC(=O)NCCCCCCO 240690a_100000686447_100015343762 [0,2,0,0,0,0|1,0,0]=3 6286 B10R0.4 CC(=O)NCCCCCCO 527a_100000686447_100103153847 [0,2,0,0,0,0|1,0,0]=3 6287 B10R0.4 CC(=O)NCCCCCN[13CH3] 2230a_200012022750_200025704644 [0,2,0,0,0,0|1,0,0]=3 6288 B10R0.4 CC(=O)NCCCCCN[13CH3] 34a_200012022750_200025704644 [0,2,0,0,0,0|1,0,0]=3 6289 B10R0.4 CC(=O)NCCCCNCF 34a_200011368371_100015361967 [0,2,0,0,0,0|2,0,0]=4 6290 B10R0.4 CC(=O)NCCCNCCF 34a_100000736810_100011217306 [0,2,0,0,0,0|2,0,0]=4 6291 B10R0.4 CC(=O)NCCCNCCO 34a_100000736810_100000211926 [0,2,0,0,0,0|2,0,0]=4 6292 B10R0.4 CC(=O)NCCCOCCF 34a_100000752032_100011217306 [0,2,0,0,0,0|2,0,0]=4 6293 B10R0.4 CC(=O)NCCCOCCO 34a_100000752032_100000211926 [0,2,0,0,0,0|2,0,0]=4 6294 B10R0.4 CC(=O)NCCNCCCF 2230a_100000209853_100011934791 [0,2,0,0,0,0|2,0,0]=4 6295 B10R0.4 CC(=O)NCCNCCCF 2230a_100015189416_100000189650 [0,2,0,0,0,0|2,0,0]=4 6296 B10R0.4 CC(=O)NCCNCCCO 2230a_100000209853_100000230001 [0,2,0,0,0,0|2,0,0]=4 6297 B10R0.4 CC(=O)NCCOCCCF 34a_100000158858_100011934791 [0,2,0,0,0,0|2,0,0]=4 6298 B10R0.4 CC(=O)NCCOCCCO 34a_100000158858_100000230001 [0,2,0,0,0,0|2,0,0]=4 6299 B10R0.4 CC(=O)NCCSCCCF 62a_100000189650_100011934791 [0,2,0,0,0,0|2,0,0]=4 6300 B10R0.4 CC(=O)NCCSCCCF 62a_100011934791_100000189650 [0,2,0,0,0,0|2,0,0]=4 6301 B10R0.4 CC(=O)NCCSCCCO 62a_100000189650_100011215043 [0,2,0,0,0,0|2,0,0]=4 6302 B10R0.4 CC(=O)NCCSCCCO 62a_100011215043_100000189650 [0,2,0,0,0,0|2,0,0]=4 6303 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,2,0,0,0,0|1,0,0]=3 6304 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,2,0,0,0,0|1,0,0]=3 6305 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,2,0,0,0,0|2,0,0]=4 6306 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,2,0,0,0,0|2,0,0]=4 6307 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,2,0,0,0,0|2,0,0]=4 6308 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,2,0,0,0,0|2,0,0]=4 6309 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,2,0,0,0,0|2,0,0]=4 6310 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,2,0,0,0,0|2,0,0]=4 6311 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,2,0,0,0,0|2,0,0]=4 6312 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,2,0,0,0,0|2,0,0]=4 6313 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,2,0,0,0,0|2,0,0]=4 6314 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,2,0,0,0,0|2,0,0]=4 6315 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,2,0,0,0,0|2,0,0]=4 6316 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,2,0,0,0,0|2,0,0]=4 6317 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,2,0,0,0,0|2,0,0]=4 6318 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,2,0,0,0,0|2,0,0]=4 6319 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,2,0,0,0,0|2,0,0]=4 6320 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,2,0,0,0,0|2,0,0]=4 6321 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,2,0,0,0,0|2,0,0]=4 6322 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,2,0,0,0,0|2,0,0]=4 6323 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,2,0,0,0,0|2,0,0]=4 6324 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,2,0,0,0,0|2,0,0]=4 6325 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,2,0,0,0,0|2,0,0]=4 6326 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,2,0,0,0,0|2,0,0]=4 6327 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,2,0,0,0,0|2,0,0]=4 6328 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,2,0,0,0,0|2,0,0]=4 6329 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,2,0,0,0,0|2,0,0]=4 6330 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,2,0,0,0,0|2,0,0]=4 6331 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,2,0,0,0,0|2,0,0]=4 6332 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,2,0,0,0,0|2,0,0]=4 6333 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,2,0,0,0,0|2,0,0]=4 6334 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,2,0,0,0,0|2,0,0]=4 6335 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,2,0,0,0,0|2,0,0]=4 6336 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,2,0,0,0,0|2,0,0]=4 6337 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,2,0,0,0,0|2,0,0]=4 6338 B10R0.4 CC(=O)SCCCCSCF 62a_100015361967_200010402107 [0,2,0,0,0,0|2,0,0]=4 6339 B10R0.4 CC(=O)SCCCCSCF 62a_200010402107_100015361967 [0,2,0,0,0,0|2,0,0]=4 6340 B10R0.4 CC(=O)SCCCNCCF 34a_100000724931_100000038929 [0,2,0,0,0,0|2,0,0]=4 6341 B10R0.4 CC(=O)SCCCNCCO 2230a_100016997473_100000038929 [0,2,0,0,0,0|2,0,0]=4 6342 B10R0.4 CC(=O)SCCCNCCO 34a_100016990907_100000038929 [0,2,0,0,0,0|2,0,0]=4 6343 B10R0.4 CC(=O)SCCCOCCBr 34a_100000211926_100000038929 [0,2,0,0,0,0|2,0,0]=4 6344 B10R0.4 CC(=O)SCCCOCCN 34a_100000210304_100000038929 [0,2,0,0,0,0|2,0,0]=4 6345 B10R0.4 CC(=O)SCCCSCCF 62a_100000038929_100011217306 [0,2,0,0,0,0|2,0,0]=4 6346 B10R0.4 CC(=O)SCCCSCCF 62a_100011217306_100000038929 [0,2,0,0,0,0|2,0,0]=4 6347 B10R0.4 CC(=O)SCCCSCCO 62a_100000038929_100000211926 [0,2,0,0,0,0|2,0,0]=4 6348 B10R0.4 CC(=O)SCCCSCCO 62a_100000211926_100000038929 [0,2,0,0,0,0|2,0,0]=4 6349 B10R0.4 CC(O)CCCNCCCF 2230a_100015189416_200000718107 [0,2,0,0,0,0|1,0,1]=4 6350 B10R0.4 CC(O)CCCNCCCF 34a_100015189416_200000718107 [0,2,0,0,0,0|1,0,1]=4 6351 B10R0.4 CC(O)CCCOCCCBr 34a_100011217188_200000718107 [0,2,0,0,0,0|1,0,1]=4 6352 B10R0.4 CC(O)CCCOCCCCl 34a_100000230001_200000718107 [0,2,0,0,0,0|1,0,1]=4 6353 B10R0.4 CC(O)CCCOCCCF 34a_100000759539_200000718107 [0,2,0,0,0,0|1,0,1]=4 6354 B10R0.4 CC(O)CCCOCCCN 34a_100000182051_200000718107 [0,2,0,0,0,0|1,0,1]=4 6355 B10R0.4 CC(O)CCCSCCCF 62a_100011934791_200000718107 [0,2,0,0,0,0|1,0,1]=4 6356 B10R0.4 CC(O)CCCSCCCF 62a_200000718107_100011934791 [0,2,0,0,0,0|1,0,1]=4 6357 B10R0.4 CC(O)CCCSCCCO 62a_100011215043_200000718107 [0,2,0,0,0,0|1,0,1]=4 6358 B10R0.4 CC(O)CCCSCCCO 62a_200000718107_100011215043 [0,2,0,0,0,0|1,0,1]=4 6359 B10R0.4 CC(O)CCNCCCCF 2230a_200000755665_100000729493 [0,2,0,0,0,0|1,0,1]=4 6360 B10R0.4 CC(O)CCNCCCCO 2230a_100000750430_100012276601 [0,2,0,0,0,0|1,0,1]=4 6361 B10R0.4 CC(O)CCNCCCCO 2230a_200000755665_100000210776 [0,2,0,0,0,0|1,0,1]=4 6362 B10R0.4 CC(O)CCNCCCCO 34a_100000750430_100012276601 [0,2,0,0,0,0|1,0,1]=4 6363 B10R0.4 CC(O)CCOCCCCBr 34a_100011216708_100012276601 [0,2,0,0,0,0|1,0,1]=4 6364 B10R0.4 CC(O)CCOCCCCCl 34a_100000210776_100012276601 [0,2,0,0,0,0|1,0,1]=4 6365 B10R0.4 CC(O)CCOCCCCCl 7a_100000210776_100012276601 [0,2,0,0,0,0|1,0,1]=4 6366 B10R0.4 CC(O)CCOCCCCF 34a_100011995726_100012276601 [0,2,0,0,0,0|1,0,1]=4 6367 B10R0.4 CC(O)CCOCCCCF 7a_100011995726_100012276601 [0,2,0,0,0,0|1,0,1]=4 6368 B10R0.4 CC(O)CCOCCCCI 34a_200012148704_100012276601 [0,2,0,0,0,0|1,0,1]=4 6369 B10R0.4 CC(O)CCOCCCCN 34a_100000750430_100012276601 [0,2,0,0,0,0|1,0,1]=4 6370 B10R0.4 CC(O)CCSCCCCF 62a_100000729493_100012276601 [0,2,0,0,0,0|1,0,1]=4 6371 B10R0.4 CC(O)CCSCCCCF 62a_100012276601_100000729493 [0,2,0,0,0,0|1,0,1]=4 6372 B10R0.4 CC(O)CCSCCCCO 62a_100000210776_100012276601 [0,2,0,0,0,0|1,0,1]=4 6373 B10R0.4 CC(O)CCSCCCCO 62a_100012276601_100000210776 [0,2,0,0,0,0|1,0,1]=4 6374 B10R0.4 CC(O)CNCCCCCF 2230a_100000210904_100000729378 [0,2,0,0,0,0|1,0,1]=4 6375 B10R0.4 CC(O)CNCCCCCF 34a_100000210904_100000729378 [0,2,0,0,0,0|1,0,1]=4 6376 B10R0.4 CC(O)CNCCCCCO 2230a_100000210904_100000746330 [0,2,0,0,0,0|1,0,1]=4 6377 B10R0.4 CC(O)CNCCCCCO 2230a_100000762737_100011218427 [0,2,0,0,0,0|1,0,1]=4 6378 B10R0.4 CC(O)CNCCCCCO 34a_100000210904_100000746330 [0,2,0,0,0,0|1,0,1]=4 6379 B10R0.4 CC(O)CNCCCCCO 34a_100000762737_100011218427 [0,2,0,0,0,0|1,0,1]=4 6380 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [0,2,0,0,0,0|1,0,1]=4 6381 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [0,2,0,0,0,0|1,0,1]=4 6382 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [0,2,0,0,0,0|1,0,1]=4 6383 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [0,2,0,0,0,0|1,0,1]=4 6384 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [0,2,0,0,0,0|1,0,1]=4 6385 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [0,2,0,0,0,0|1,0,1]=4 6386 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [0,2,0,0,0,0|1,0,1]=4 6387 B10R0.4 CC(O)CSCCCCCF 62a_100000729378_100011218427 [0,2,0,0,0,0|1,0,1]=4 6388 B10R0.4 CC(O)CSCCCCCF 62a_100011218427_100000729378 [0,2,0,0,0,0|1,0,1]=4 6389 B10R0.4 CC(O)CSCCCCCO 62a_100000746330_100011218427 [0,2,0,0,0,0|1,0,1]=4 6390 B10R0.4 CC(O)CSCCCCCO 62a_100011218427_100000746330 [0,2,0,0,0,0|1,0,1]=4 6391 B10R0.4 CC/C=C\CCNCC(=O)N 2230a_100000711301_100015370543 [0,2,0,0,0,0|1,0,1]=4 6392 B10R0.4 CC/C=C\CCNCC(=O)O 269956a_100016091260_100015370543 [0,2,0,0,0,0|0,0,1]=3 6393 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,2,0,0,0,0|1,0,1]=4 6394 B10R0.4 CC/C=C\CCOCC(=O)N 34a_100016288707_100000187820 [0,2,0,0,0,0|1,0,1]=4 6395 B10R0.4 CC/C=C\CCOCC(=O)N 7a_100016288707_100000187820 [0,2,0,0,0,0|1,0,1]=4 6396 B10R0.4 CC/C=C\CCOCC(=O)[O-] 34a_100016288707_100020667443 [0,2,0,0,0,0|0,0,2]=4 6397 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100000747473_100015370543 [0,2,0,0,0,0|1,0,1]=4 6398 B10R0.4 CC/C=C\CCSCC(=O)N 62a_100015370543_100000747473 [0,2,0,0,0,0|1,0,1]=4 6399 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100015370543_100020667443 [0,2,0,0,0,0|0,0,2]=4 6400 B10R0.4 CC/C=C\CCSCC(=O)[O-] 62a_100020667443_100015370543 [0,2,0,0,0,0|0,0,2]=4 6401 B10R0.4 CC/C=C\CNOCC(=O)O 269956a_100000106656_100103147603 [0,2,0,0,0,0|0,0,2]=4 6402 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [0,2,0,0,0,0|1,0,1]=4 6403 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [0,2,0,0,0,0|1,0,1]=4 6404 B10R0.4 CC/C=C\COCCC(=O)N 34a_100000757172_100103147603 [0,2,0,0,0,0|1,0,1]=4 6405 B10R0.4 CC/C=C\COCCC(=O)N 34a_100016268518_100000731001 [0,2,0,0,0,0|1,0,1]=4 6406 B10R0.4 CC/C=C\COCCC(=O)N 7a_100000757172_100103147603 [0,2,0,0,0,0|1,0,1]=4 6407 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [0,2,0,0,0,0|1,0,1]=4 6408 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [0,2,0,0,0,0|1,0,1]=4 6409 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100000744528_100103147603 [0,2,0,0,0,0|1,0,1]=4 6410 B10R0.4 CC/C=C\CSCCC(=O)N 62a_100103147603_100000744528 [0,2,0,0,0,0|1,0,1]=4 6411 B10R0.4 CC=CCCCOCC(=O)N 34a_100020645299_100000187820 [0,2,0,0,0,0|1,0,1]=4 6412 B10R0.4 CC=CCCCOCC(=O)[O-] 34a_100020645299_100020667443 [0,2,0,0,0,0|0,0,2]=4 6413 B10R0.4 CC=CCNCCCC(=O)N 34a_100000739312_100000070051 [0,2,0,0,0,0|1,0,1]=4 6414 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [0,2,0,0,0,0|1,0,1]=4 6415 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [0,2,0,0,0,0|1,0,1]=4 6416 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [0,2,0,0,0,0|1,0,1]=4 6417 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [0,2,0,0,0,0|1,0,1]=4 6418 B10R0.4 CC=CCSCCCC(=O)N 62a_100000070051_100102525003 [0,2,0,0,0,0|1,0,1]=4 6419 B10R0.4 CC=CCSCCCC(=O)N 62a_100102525003_100000070051 [0,2,0,0,0,0|1,0,1]=4 6420 B10R0.4 CCC#CCCOCC(=O)N 34a_100000036655_100000187820 [0,2,0,0,0,0|1,0,1]=4 6421 B10R0.4 CCC#CCCOCC(=O)N 7a_100000036655_100000187820 [0,2,0,0,0,0|1,0,1]=4 6422 B10R0.4 CCC#CCCOCC(=O)[O-] 34a_100000036655_100020667443 [0,2,0,0,0,0|0,0,2]=4 6423 B10R0.4 CCC#CCNOCC(=O)O 269956a_100000106656_100009813939 [0,2,0,0,0,0|0,0,2]=4 6424 B10R0.4 CCC#CCOCCC(=O)C 34a_100000759926_100009813939 [0,2,0,0,0,0|1,0,1]=4 6425 B10R0.4 CCC#CCOCCC(=O)C 7a_100000759926_100009813939 [0,2,0,0,0,0|1,0,1]=4 6426 B10R0.4 CCC#CCOCCC(=O)N 34a_100000032950_100000731001 [0,2,0,0,0,0|1,0,1]=4 6427 B10R0.4 CCC#CCOCCC(=O)N 34a_100000757172_100009813939 [0,2,0,0,0,0|1,0,1]=4 6428 B10R0.4 CCC#CCOCCC(=O)N 7a_100000757172_100009813939 [0,2,0,0,0,0|1,0,1]=4 6429 B10R0.4 CCC#CCSCCC(=O)C 62a_100000053229_100009813939 [0,2,0,0,0,0|1,0,1]=4 6430 B10R0.4 CCC#CCSCCC(=O)C 62a_100009813939_100000053229 [0,2,0,0,0,0|1,0,1]=4 6431 B10R0.4 CCC#CCSCCC(=O)N 62a_100000744528_100009813939 [0,2,0,0,0,0|1,0,1]=4 6432 B10R0.4 CCC#CCSCCC(=O)N 62a_100009813939_100000744528 [0,2,0,0,0,0|1,0,1]=4 6433 B10R0.4 CCC/C=C/COCC(=O)N 34a_100016278788_100000187820 [0,2,0,0,0,0|1,0,1]=4 6434 B10R0.4 CCC/C=C/COCC(=O)N 7a_100016278788_100000187820 [0,2,0,0,0,0|1,0,1]=4 6435 B10R0.4 CCC/C=C/COCC(=O)[O-] 34a_100016278788_100020667443 [0,2,0,0,0,0|0,0,2]=4 6436 B10R0.4 CCCC#CCOCC(=O)N 34a_100000034806_100000187820 [0,2,0,0,0,0|1,0,1]=4 6437 B10R0.4 CCCC#CCOCC(=O)N 7a_100000034806_100000187820 [0,2,0,0,0,0|1,0,1]=4 6438 B10R0.4 CCCC#CCOCC(=O)[O-] 34a_100000034806_100020667443 [0,2,0,0,0,0|0,0,2]=4 6439 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [0,2,0,0,0,0|1,0,0]=3 6440 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [0,2,0,0,0,0|1,0,0]=3 6441 B10R0.4 CCCCCC#CCC(=O)C 1458a_100000070787_100009816472 [0,2,0,0,0,0|1,0,0]=3 6442 B10R0.4 CCCCCC=NNC(=O)C 4a_100000189765_100000737632 [0,2,0,0,0,0|1,0,1]=4 6443 B10R0.4 CCCCCCC=CC(=O)C 1458a_200015324643_200000210301 [0,2,0,0,0,0|1,0,0]=3 6444 B10R0.4 CCCCCCC=CC(=O)[13CH3] 1458a_200015324643_200025704644 [0,2,0,0,0,0|1,0,0]=3 6445 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [0,2,0,0,0,0|1,0,0]=3 6446 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [0,2,0,0,0,0|1,0,0]=3 6447 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [0,2,0,0,0,0|1,0,0]=3 6448 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [0,2,0,0,0,0|1,0,0]=3 6449 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [0,2,0,0,0,0|1,0,0]=3 6450 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [0,2,0,0,0,0|1,0,0]=3 6451 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [0,2,0,0,0,0|1,0,0]=3 6452 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [0,2,0,0,0,0|1,0,0]=3 6453 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [0,2,0,0,0,0|1,0,0]=3 6454 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [0,2,0,0,0,0|0,0,0]=2 6455 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [0,2,0,0,0,0|1,0,1]=4 6456 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [0,2,0,0,0,0|1,0,1]=4 6457 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [0,2,0,0,0,0|1,0,1]=4 6458 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [0,2,0,0,0,0|1,0,1]=4 6459 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,2,0,0,0,0|1,0,0]=3 6460 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [0,2,0,0,0,0|1,0,0]=3 6461 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [0,2,0,0,0,0|1,0,0]=3 6462 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [0,2,0,0,0,0|0,0,1]=3 6463 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [0,2,0,0,0,0|1,0,1]=4 6464 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [0,2,0,0,0,0|1,0,1]=4 6465 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [0,2,0,0,0,0|1,0,1]=4 6466 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [0,2,0,0,0,0|1,0,1]=4 6467 B10R0.4 CCCCCCOC[N+](=O)[O-] 34a_100000210259_100000761209 [0,2,0,0,0,0|1,0,1]=4 6468 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [0,2,0,0,0,0|1,0,0]=3 6469 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [0,2,0,0,0,0|1,0,0]=3 6470 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [0,2,0,0,0,0|0,0,1]=3 6471 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [0,2,0,0,0,0|0,0,1]=3 6472 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [0,2,0,0,0,0|1,0,1]=4 6473 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [0,2,0,0,0,0|1,0,1]=4 6474 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [0,2,0,0,0,0|1,0,1]=4 6475 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [0,2,0,0,0,0|1,0,1]=4 6476 B10R0.4 CCCCCCSC[N+](=O)[O-] 62a_100000210314_100000761209 [0,2,0,0,0,0|1,0,1]=4 6477 B10R0.4 CCCCCNCC=C(C)C 2230a_100000209983_100000761012 [0,2,0,0,0,0|2,0,0]=4 6478 B10R0.4 CCCCCNCC=C(C)C 34a_100000718196_100000718602 [0,2,0,0,0,0|2,0,0]=4 6479 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [0,2,0,0,0,0|1,0,0]=3 6480 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [0,2,0,0,0,0|1,0,1]=4 6481 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [0,2,0,0,0,0|1,0,1]=4 6482 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [0,2,0,0,0,0|0,0,0]=2 6483 B10R0.4 CCCCCOCC=C(C)C 34a_100000210253_100000761012 [0,2,0,0,0,0|2,0,0]=4 6484 B10R0.4 CCCCCOCC=C(C)C 34a_100000753907_100000718602 [0,2,0,0,0,0|2,0,0]=4 6485 B10R0.4 CCCCCOCC=C(C)C 7a_100000210253_100000761012 [0,2,0,0,0,0|2,0,0]=4 6486 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,2,0,0,0,0|1,0,0]=3 6487 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,2,0,0,0,0|1,0,0]=3 6488 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,2,0,0,0,0|1,0,0]=3 6489 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [0,2,0,0,0,0|1,0,0]=3 6490 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [0,2,0,0,0,0|1,0,0]=3 6491 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [0,2,0,0,0,0|1,0,0]=3 6492 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [0,2,0,0,0,0|1,0,0]=3 6493 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [0,2,0,0,0,0|1,0,1]=4 6494 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [0,2,0,0,0,0|1,0,1]=4 6495 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,2,0,0,0,0|1,0,0]=3 6496 B10R0.4 CCCCCSCC=C(C)C 62a_100000210326_100000761012 [0,2,0,0,0,0|2,0,0]=4 6497 B10R0.4 CCCCCSCC=C(C)C 62a_100000761012_100000210326 [0,2,0,0,0,0|2,0,0]=4 6498 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [0,2,0,0,0,0|1,0,0]=3 6499 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [0,2,0,0,0,0|1,0,0]=3 6500 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [0,2,0,0,0,0|1,0,0]=3 6501 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [0,2,0,0,0,0|1,0,0]=3 6502 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [0,2,0,0,0,0|1,0,1]=4 6503 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [0,2,0,0,0,0|1,0,1]=4 6504 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,2,0,0,0,0|1,0,0]=3 6505 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,2,0,0,0,0|1,0,0]=3 6506 B10R0.4 CCCCNCCC=C(C)C 2230a_100000102301_100011217483 [0,2,0,0,0,0|2,0,0]=4 6507 B10R0.4 CCCCNCCC=C(C)C 7a_106832991798_100011217483 [0,2,0,0,0,0|2,0,0]=4 6508 B10R0.4 CCCCNCCC=C(F)F 2230a_100000102301_200009816681 [0,2,0,0,0,0|2,0,0]=4 6509 B10R0.4 CCCCNCCC=C(F)F 7a_106832991798_200009816681 [0,2,0,0,0,0|2,0,0]=4 6510 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [0,2,0,0,0,0|1,0,0]=3 6511 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [0,2,0,0,0,0|1,0,0]=3 6512 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [0,2,0,0,0,0|1,0,0]=3 6513 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [0,2,0,0,0,0|1,0,1]=4 6514 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [0,2,0,0,0,0|1,0,1]=4 6515 B10R0.4 CCCCNCCCS(=O)C 2230a_200000753449_100000210211 [0,2,0,0,0,0|2,0,0]=4 6516 B10R0.4 CCCCNCCNC(=O)C 2230a_100000102301_100000189650 [0,2,0,0,0,0|1,0,0]=3 6517 B10R0.4 CCCCNCCNC(=O)C 2230a_100000209853_100000210211 [0,2,0,0,0,0|1,0,0]=3 6518 B10R0.4 CCCCNCCNC(=O)C 7a_106832991798_100000189650 [0,2,0,0,0,0|1,0,0]=3 6519 B10R0.4 CCCCNCCNC(=O)N 2230a_100000102301_200000034859 [0,2,0,0,0,0|1,0,0]=3 6520 B10R0.4 CCCCNCCNC(=O)N 34a_100020590234_100000210210 [0,2,0,0,0,0|1,0,0]=3 6521 B10R0.4 CCCCNCCNC(=O)N 7a_106832991798_200000034859 [0,2,0,0,0,0|1,0,0]=3 6522 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,2,0,0,0,0|1,0,0]=3 6523 B10R0.4 CCCCNCCOC(=O)N 7a_106832991798_200011214921 [0,2,0,0,0,0|1,0,0]=3 6524 B10R0.4 CCCCOCCC=C(C)C 34a_100000210227_100011217483 [0,2,0,0,0,0|2,0,0]=4 6525 B10R0.4 CCCCOCCC=C(C)C 7a_100000210227_100011217483 [0,2,0,0,0,0|2,0,0]=4 6526 B10R0.4 CCCCOCCC=C(F)F 34a_100000210227_200009816681 [0,2,0,0,0,0|2,0,0]=4 6527 B10R0.4 CCCCOCCC=C(F)F 7a_100000210227_200009816681 [0,2,0,0,0,0|2,0,0]=4 6528 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [0,2,0,0,0,0|1,0,0]=3 6529 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [0,2,0,0,0,0|1,0,0]=3 6530 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [0,2,0,0,0,0|1,0,0]=3 6531 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [0,2,0,0,0,0|1,0,0]=3 6532 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [0,2,0,0,0,0|1,0,0]=3 6533 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [0,2,0,0,0,0|1,0,0]=3 6534 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [0,2,0,0,0,0|1,0,1]=4 6535 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [0,2,0,0,0,0|1,0,1]=4 6536 B10R0.4 CCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210210 [0,2,0,0,0,0|1,0,1]=4 6537 B10R0.4 CCCCOCCNC(=O)C 34a_100000158858_100000210210 [0,2,0,0,0,0|1,0,0]=3 6538 B10R0.4 CCCCOCCNC(=O)C 7a_100000210227_100000189650 [0,2,0,0,0,0|1,0,0]=3 6539 B10R0.4 CCCCOCCNC(=O)N 34a_100000181757_100000210210 [0,2,0,0,0,0|1,0,0]=3 6540 B10R0.4 CCCCOCCNC(=O)N 7a_100000210227_200000034859 [0,2,0,0,0,0|1,0,0]=3 6541 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,2,0,0,0,0|1,0,0]=3 6542 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,2,0,0,0,0|1,0,0]=3 6543 B10R0.4 CCCCOCCOC(=O)N 34a_100000210227_200011214921 [0,2,0,0,0,0|1,0,0]=3 6544 B10R0.4 CCCCOCCOC(=O)N 7a_100000210227_200011214921 [0,2,0,0,0,0|1,0,0]=3 6545 B10R0.4 CCCCOCCOC(=O)N 7a_100000766696_100000210211 [0,2,0,0,0,0|1,0,0]=3 6546 B10R0.4 CCCCOCNCC(=O)N 2230a_100000711301_100011995733 [0,2,0,0,0,0|1,0,0]=3 6547 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [0,2,0,0,0,0|0,0,0]=2 6548 B10R0.4 CCCCOCNCC(C)O 2230a_100000210904_100011995733 [0,2,0,0,0,0|1,0,1]=4 6549 B10R0.4 CCCCOCNCC(C)O 34a_100000210904_100011995733 [0,2,0,0,0,0|1,0,1]=4 6550 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,2,0,0,0,0|1,0,0]=3 6551 B10R0.4 CCCCOCSCC(=O)N 62a_100000747473_100011995733 [0,2,0,0,0,0|1,0,0]=3 6552 B10R0.4 CCCCOCSCC(=O)N 62a_100011995733_100000747473 [0,2,0,0,0,0|1,0,0]=3 6553 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100011995733_100020667443 [0,2,0,0,0,0|0,0,1]=3 6554 B10R0.4 CCCCOCSCC(=O)[O-] 62a_100020667443_100011995733 [0,2,0,0,0,0|0,0,1]=3 6555 B10R0.4 CCCCOCSCC(C)O 62a_100011218427_100011995733 [0,2,0,0,0,0|1,0,1]=4 6556 B10R0.4 CCCCOCSCC(C)O 62a_100011995733_100011218427 [0,2,0,0,0,0|1,0,1]=4 6557 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100009817552_100011995733 [0,2,0,0,0,0|1,0,1]=4 6558 B10R0.4 CCCCOCSC[C@@H](C)O 62a_100011995733_100009817552 [0,2,0,0,0,0|1,0,1]=4 6559 B10R0.4 CCCCOCSC[N+](=O)[O-] 62a_100011995733_100000761209 [0,2,0,0,0,0|1,0,1]=4 6560 B10R0.4 CCCCSCCC=C(C)C 62a_100000210211_100011217483 [0,2,0,0,0,0|2,0,0]=4 6561 B10R0.4 CCCCSCCC=C(C)C 62a_100011217483_100000210210 [0,2,0,0,0,0|2,0,0]=4 6562 B10R0.4 CCCCSCCC=C(F)F 62a_100000210211_200009816681 [0,2,0,0,0,0|2,0,0]=4 6563 B10R0.4 CCCCSCCC=C(F)F 62a_200009816681_100000210210 [0,2,0,0,0,0|2,0,0]=4 6564 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [0,2,0,0,0,0|1,0,0]=3 6565 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [0,2,0,0,0,0|1,0,0]=3 6566 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [0,2,0,0,0,0|1,0,0]=3 6567 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [0,2,0,0,0,0|1,0,0]=3 6568 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [0,2,0,0,0,0|1,0,1]=4 6569 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [0,2,0,0,0,0|1,0,1]=4 6570 B10R0.4 CCCCSCCNC(=O)C 11a_100025743550_100015343762 [0,2,0,0,0,0|1,0,0]=3 6571 B10R0.4 CCCCSCCNC(=O)C 1626a_100025743550_100015343762 [0,2,0,0,0,0|1,0,0]=3 6572 B10R0.4 CCCCSCCNC(=O)C 240690a_100025743550_100015343762 [0,2,0,0,0,0|1,0,0]=3 6573 B10R0.4 CCCCSCCNC(=O)C 527a_100025743550_100103153847 [0,2,0,0,0,0|1,0,0]=3 6574 B10R0.4 CCCCSCCNC(=O)C 62a_100000189650_100000210210 [0,2,0,0,0,0|1,0,0]=3 6575 B10R0.4 CCCCSCCNC(=O)C 62a_100000210211_100000189650 [0,2,0,0,0,0|1,0,0]=3 6576 B10R0.4 CCCCSCCNC(=O)N 62a_100000210211_200000034859 [0,2,0,0,0,0|1,0,0]=3 6577 B10R0.4 CCCCSCCNC(=O)N 62a_200000034859_100000210210 [0,2,0,0,0,0|1,0,0]=3 6578 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,2,0,0,0,0|1,0,0]=3 6579 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,2,0,0,0,0|1,0,0]=3 6580 B10R0.4 CCCCSCCOC(=O)N 62a_100000210211_200011214921 [0,2,0,0,0,0|1,0,0]=3 6581 B10R0.4 CCCCSCCOC(=O)N 62a_200011214921_100000210210 [0,2,0,0,0,0|1,0,0]=3 6582 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [0,2,0,0,0,0|1,0,0]=3 6583 B10R0.4 CCCNCCCNC(=O)C 34a_100000736810_100000210303 [0,2,0,0,0,0|1,0,0]=3 6584 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [0,2,0,0,0,0|0,0,0]=2 6585 B10R0.4 CCCOCCCCB(O)O 34a_100000210258_200009817182 [0,2,0,0,0,0|1,0,1]=4 6586 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [0,2,0,0,0,0|1,0,0]=3 6587 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [0,2,0,0,0,0|1,0,0]=3 6588 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [0,2,0,0,0,0|1,0,0]=3 6589 B10R0.4 CCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210303 [0,2,0,0,0,0|1,0,1]=4 6590 B10R0.4 CCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210303 [0,2,0,0,0,0|1,0,1]=4 6591 B10R0.4 CCCOCCCNC(=O)C 1626a_100011217757_100015343762 [0,2,0,0,0,0|1,0,0]=3 6592 B10R0.4 CCCOCCCNC(=O)C 240690a_100011217757_100015343762 [0,2,0,0,0,0|1,0,0]=3 6593 B10R0.4 CCCOCCCNC(=O)C 34a_100000752032_100000210303 [0,2,0,0,0,0|1,0,0]=3 6594 B10R0.4 CCCOCCCNC(=O)C 527a_100011217757_100103153847 [0,2,0,0,0,0|1,0,0]=3 6595 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,2,0,0,0,0|1,0,0]=3 6596 B10R0.4 CCCOCCCOC(=S)C 34a_100000210258_200135323944 [0,2,0,0,0,0|1,1,0]=4 6597 B10R0.4 CCCOCCCSC(=O)C 34a_100000210258_100000038929 [0,2,0,0,0,0|1,0,0]=3 6598 B10R0.4 CCCOCCNCC(=O)N 2230a_100000711301_100011215938 [0,2,0,0,0,0|1,0,0]=3 6599 B10R0.4 CCCOCCNCC(=O)N 2230a_100161115042_100000747473 [0,2,0,0,0,0|1,0,0]=3 6600 B10R0.4 CCCOCCNCC(=O)N 34a_100161115042_100000187820 [0,2,0,0,0,0|1,0,0]=3 6601 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [0,2,0,0,0,0|0,0,0]=2 6602 B10R0.4 CCCOCCNCC(=O)[O-] 34a_100161115042_100020667443 [0,2,0,0,0,0|0,0,1]=3 6603 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [0,2,0,0,0,0|1,0,1]=4 6604 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [0,2,0,0,0,0|1,0,1]=4 6605 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [0,2,0,0,0,0|1,0,1]=4 6606 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [0,2,0,0,0,0|1,0,1]=4 6607 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [0,2,0,0,0,0|1,0,1]=4 6608 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [0,2,0,0,0,0|1,0,1]=4 6609 B10R0.4 CCCOCCNC[N+](=O)[O-] 34a_100161115042_100000761209 [0,2,0,0,0,0|1,0,1]=4 6610 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,2,0,0,0,0|1,0,0]=3 6611 B10R0.4 CCCOCCOCC(=O)N 34a_100000210258_100000076697 [0,2,0,0,0,0|1,0,0]=3 6612 B10R0.4 CCCOCCOCC(=O)N 34a_100000752267_100000187820 [0,2,0,0,0,0|1,0,0]=3 6613 B10R0.4 CCCOCCOCC(=O)N 7a_100000752267_100000187820 [0,2,0,0,0,0|1,0,0]=3 6614 B10R0.4 CCCOCCOCC(=O)[O-] 34a_100000752267_100020667443 [0,2,0,0,0,0|0,0,1]=3 6615 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [0,2,0,0,0,0|1,0,1]=4 6616 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [0,2,0,0,0,0|1,0,1]=4 6617 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [0,2,0,0,0,0|1,0,1]=4 6618 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [0,2,0,0,0,0|1,0,1]=4 6619 B10R0.4 CCCOCCOC[N+](=O)[O-] 34a_100000752267_100000761209 [0,2,0,0,0,0|1,0,1]=4 6620 B10R0.4 CCCOCCSCC(=O)N 62a_100000747473_100011215938 [0,2,0,0,0,0|1,0,0]=3 6621 B10R0.4 CCCOCCSCC(=O)N 62a_100011215938_100000747473 [0,2,0,0,0,0|1,0,0]=3 6622 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100011215938_100020667443 [0,2,0,0,0,0|0,0,1]=3 6623 B10R0.4 CCCOCCSCC(=O)[O-] 62a_100020667443_100011215938 [0,2,0,0,0,0|0,0,1]=3 6624 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [0,2,0,0,0,0|1,0,1]=4 6625 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [0,2,0,0,0,0|1,0,1]=4 6626 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [0,2,0,0,0,0|1,0,1]=4 6627 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [0,2,0,0,0,0|1,0,1]=4 6628 B10R0.4 CCCOCCSC[N+](=O)[O-] 62a_100011215938_100000761209 [0,2,0,0,0,0|1,0,1]=4 6629 B10R0.4 CCCSCCCCB(O)O 62a_100000210303_200009817182 [0,2,0,0,0,0|1,0,1]=4 6630 B10R0.4 CCCSCCCCB(O)O 62a_200009817182_100000210303 [0,2,0,0,0,0|1,0,1]=4 6631 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [0,2,0,0,0,0|1,0,0]=3 6632 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [0,2,0,0,0,0|1,0,0]=3 6633 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,2,0,0,0,0|1,0,0]=3 6634 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,2,0,0,0,0|1,0,0]=3 6635 B10R0.4 CCCSCCCOC(=S)C 62a_100000210303_200135323944 [0,2,0,0,0,0|1,1,0]=4 6636 B10R0.4 CCCSCCCOC(=S)C 62a_200135323944_100000210303 [0,2,0,0,0,0|1,1,0]=4 6637 B10R0.4 CCCSCCCSC(=O)C 62a_100000038929_100000210303 [0,2,0,0,0,0|1,0,0]=3 6638 B10R0.4 CCCSCCCSC(=O)C 62a_100000210303_100000038929 [0,2,0,0,0,0|1,0,0]=3 6639 B10R0.4 CCCSCCNCC(=O)N 2230a_100020603323_100000747473 [0,2,0,0,0,0|1,0,0]=3 6640 B10R0.4 CCCSCCNCC(C)O 2230a_100020603323_100011218427 [0,2,0,0,0,0|1,0,1]=4 6641 B10R0.4 CCCSCCNC[C@@H](C)O 2230a_100020603323_100009817552 [0,2,0,0,0,0|1,0,1]=4 6642 B10R0.4 CCCSCCOCC(=O)N 34a_200000230433_100000187820 [0,2,0,0,0,0|1,0,0]=3 6643 B10R0.4 CCCSCCOCC(=O)N 62a_100000076697_100000210303 [0,2,0,0,0,0|1,0,0]=3 6644 B10R0.4 CCCSCCOCC(=O)N 62a_100000210303_100000076697 [0,2,0,0,0,0|1,0,0]=3 6645 B10R0.4 CCCSCCOCC(=O)N 7a_200000230433_100000187820 [0,2,0,0,0,0|1,0,0]=3 6646 B10R0.4 CCCSCCOCC(=O)[O-] 34a_200000230433_100020667443 [0,2,0,0,0,0|0,0,1]=3 6647 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [0,2,0,0,0,0|1,0,1]=4 6648 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [0,2,0,0,0,0|1,0,1]=4 6649 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [0,2,0,0,0,0|1,0,1]=4 6650 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [0,2,0,0,0,0|1,0,1]=4 6651 B10R0.4 CCCSCCOC[N+](=O)[O-] 34a_200000230433_100000761209 [0,2,0,0,0,0|1,0,1]=4 6652 B10R0.4 CCNCCCCCB(O)O 2230a_100015525214_200009817188 [0,2,0,0,0,0|1,0,1]=4 6653 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [0,2,0,0,0,0|1,0,0]=3 6654 B10R0.4 CCNCCCCNC(=O)C 2230a_200011368371_100000210202 [0,2,0,0,0,0|1,0,0]=3 6655 B10R0.4 CCNCCCCNC(=O)C 34a_200011368371_100000210202 [0,2,0,0,0,0|1,0,0]=3 6656 B10R0.4 CCNCCCCSC(=O)C 2230a_100015525214_200010402107 [0,2,0,0,0,0|1,0,0]=3 6657 B10R0.4 CCOCCCCCB(O)O 34a_100121572206_200009817188 [0,2,0,0,0,0|1,0,1]=4 6658 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [0,2,0,0,0,0|1,0,0]=3 6659 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [0,2,0,0,0,0|1,0,0]=3 6660 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [0,2,0,0,0,0|1,0,0]=3 6661 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [0,2,0,0,0,0|0,0,1]=3 6662 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,2,0,0,0,0|1,0,0]=3 6663 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,2,0,0,0,0|1,0,0]=3 6664 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,2,0,0,0,0|1,0,0]=3 6665 B10R0.4 CCOCCCCO[N+](=O)[O-] 34a_100121572206_100015694321 [0,2,0,0,0,0|1,0,1]=4 6666 B10R0.4 CCOCCCCSC(=O)C 34a_100121572206_200010402107 [0,2,0,0,0,0|1,0,0]=3 6667 B10R0.4 CCOCCCNCC(=O)N 2230a_100000210961_100000747473 [0,2,0,0,0,0|1,0,0]=3 6668 B10R0.4 CCOCCCNCC(=O)N 2230a_100000711301_100012232248 [0,2,0,0,0,0|1,0,0]=3 6669 B10R0.4 CCOCCCNCC(=O)N 34a_100000210961_100000187820 [0,2,0,0,0,0|1,0,0]=3 6670 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [0,2,0,0,0,0|0,0,0]=2 6671 B10R0.4 CCOCCCNCC(=O)[O-] 34a_100000210961_100020667443 [0,2,0,0,0,0|0,0,1]=3 6672 B10R0.4 CCOCCCNCC(C)O 2230a_100000210904_100012232248 [0,2,0,0,0,0|1,0,1]=4 6673 B10R0.4 CCOCCCNCC(C)O 2230a_100000210961_100011218427 [0,2,0,0,0,0|1,0,1]=4 6674 B10R0.4 CCOCCCNCC(C)O 34a_100000210904_100012232248 [0,2,0,0,0,0|1,0,1]=4 6675 B10R0.4 CCOCCCNCC(C)O 34a_100000210961_100011218427 [0,2,0,0,0,0|1,0,1]=4 6676 B10R0.4 CCOCCCNC[C@@H](C)O 2230a_100000210961_100009817552 [0,2,0,0,0,0|1,0,1]=4 6677 B10R0.4 CCOCCCNC[C@@H](C)O 34a_100000210961_100009817552 [0,2,0,0,0,0|1,0,1]=4 6678 B10R0.4 CCOCCCNC[N+](=O)[O-] 34a_100000210961_100000761209 [0,2,0,0,0,0|1,0,1]=4 6679 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,2,0,0,0,0|1,0,0]=3 6680 B10R0.4 CCOCCCOCC(=O)N 34a_100000757476_100000187820 [0,2,0,0,0,0|1,0,0]=3 6681 B10R0.4 CCOCCCOCC(=O)N 7a_100000757476_100000187820 [0,2,0,0,0,0|1,0,0]=3 6682 B10R0.4 CCOCCCOCC(=O)[O-] 34a_100000757476_100020667443 [0,2,0,0,0,0|0,0,1]=3 6683 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [0,2,0,0,0,0|1,0,1]=4 6684 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [0,2,0,0,0,0|1,0,1]=4 6685 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [0,2,0,0,0,0|1,0,1]=4 6686 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [0,2,0,0,0,0|1,0,1]=4 6687 B10R0.4 CCOCCCOC[N+](=O)[O-] 34a_100000757476_100000761209 [0,2,0,0,0,0|1,0,1]=4 6688 B10R0.4 CCOCCCSCC(=O)N 62a_100000747473_100012232248 [0,2,0,0,0,0|1,0,0]=3 6689 B10R0.4 CCOCCCSCC(=O)N 62a_100012232248_100000747473 [0,2,0,0,0,0|1,0,0]=3 6690 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100012232248_100020667443 [0,2,0,0,0,0|0,0,1]=3 6691 B10R0.4 CCOCCCSCC(=O)[O-] 62a_100020667443_100012232248 [0,2,0,0,0,0|0,0,1]=3 6692 B10R0.4 CCOCCCSCC(C)O 62a_100011218427_100012232248 [0,2,0,0,0,0|1,0,1]=4 6693 B10R0.4 CCOCCCSCC(C)O 62a_100012232248_100011218427 [0,2,0,0,0,0|1,0,1]=4 6694 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100009817552_100012232248 [0,2,0,0,0,0|1,0,1]=4 6695 B10R0.4 CCOCCCSC[C@@H](C)O 62a_100012232248_100009817552 [0,2,0,0,0,0|1,0,1]=4 6696 B10R0.4 CCOCCCSC[N+](=O)[O-] 62a_100012232248_100000761209 [0,2,0,0,0,0|1,0,1]=4 6697 B10R0.4 CCOCCNCCC(=O)N 2230a_102516460346_100000744528 [0,2,0,0,0,0|1,0,0]=3 6698 B10R0.4 CCOCCNCCC(=O)N 34a_102516460346_100000731001 [0,2,0,0,0,0|1,0,0]=3 6699 B10R0.4 CCOCCNCCC(C)O 2230a_102516460346_100012276601 [0,2,0,0,0,0|1,0,1]=4 6700 B10R0.4 CCOCCNCCC(C)O 2230a_200000755665_100011215890 [0,2,0,0,0,0|1,0,1]=4 6701 B10R0.4 CCOCCNCCC(C)O 34a_102516460346_100012276601 [0,2,0,0,0,0|1,0,1]=4 6702 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,2,0,0,0,0|2,0,0]=4 6703 B10R0.4 CCOCCNOCC(=O)O 269956a_100000106656_100000210147 [0,2,0,0,0,0|1,0,0]=3 6704 B10R0.4 CCOCCOCCC(=O)C 1458a_100000070787_100011211534 [0,2,0,0,0,0|1,0,0]=3 6705 B10R0.4 CCOCCOCCC(=O)C 34a_100000759926_100000210147 [0,2,0,0,0,0|1,0,0]=3 6706 B10R0.4 CCOCCOCCC(=O)C 7a_100000210136_100000053229 [0,2,0,0,0,0|1,0,0]=3 6707 B10R0.4 CCOCCOCCC(=O)C 7a_100000759926_100011215890 [0,2,0,0,0,0|1,0,0]=3 6708 B10R0.4 CCOCCOCCC(=O)N 34a_100000210136_100000731001 [0,2,0,0,0,0|1,0,0]=3 6709 B10R0.4 CCOCCOCCC(=O)N 34a_100000757172_100000210147 [0,2,0,0,0,0|1,0,0]=3 6710 B10R0.4 CCOCCOCCC(=O)N 7a_100000210136_100000744528 [0,2,0,0,0,0|1,0,0]=3 6711 B10R0.4 CCOCCOCCC(=O)N 7a_100000757172_100011215890 [0,2,0,0,0,0|1,0,0]=3 6712 B10R0.4 CCOCCOCCC(C)O 34a_100000210136_100012276601 [0,2,0,0,0,0|1,0,1]=4 6713 B10R0.4 CCOCCOCCC(C)O 7a_100000210136_100012276601 [0,2,0,0,0,0|1,0,1]=4 6714 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,2,0,0,0,0|2,0,0]=4 6715 B10R0.4 CCOCCSCCC(=O)C 62a_100000053229_100011215890 [0,2,0,0,0,0|1,0,0]=3 6716 B10R0.4 CCOCCSCCC(=O)C 62a_100000210147_100000053229 [0,2,0,0,0,0|1,0,0]=3 6717 B10R0.4 CCOCCSCCC(=O)N 62a_100000210147_100000744528 [0,2,0,0,0,0|1,0,0]=3 6718 B10R0.4 CCOCCSCCC(=O)N 62a_100000744528_100011215890 [0,2,0,0,0,0|1,0,0]=3 6719 B10R0.4 CCOCCSCCC(C)O 62a_100000210147_100012276601 [0,2,0,0,0,0|1,0,1]=4 6720 B10R0.4 CCOCCSCCC(C)O 62a_100012276601_100011215890 [0,2,0,0,0,0|1,0,1]=4 6721 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,2,0,0,0,0|2,0,0]=4 6722 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,2,0,0,0,0|2,0,0]=4 6723 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,2,0,0,0,0|2,0,0]=4 6724 B10R0.4 CCOCSCCCC(=O)C 62a_100000739092_100011215641 [0,2,0,0,0,0|1,0,0]=3 6725 B10R0.4 CCOCSCCCC(=O)C 62a_100011215641_100000739092 [0,2,0,0,0,0|1,0,0]=3 6726 B10R0.4 CCOCSCCCC(=O)N 62a_100000739092_100102525003 [0,2,0,0,0,0|1,0,0]=3 6727 B10R0.4 CCOCSCCCC(=O)N 62a_100102525003_100000739092 [0,2,0,0,0,0|1,0,0]=3 6728 B10R0.4 CCOCSCCCC(C)O 62a_100000739092_200000718107 [0,2,0,0,0,0|1,0,1]=4 6729 B10R0.4 CCOCSCCCC(C)O 62a_200000718107_100000739092 [0,2,0,0,0,0|1,0,1]=4 6730 B10R0.4 CCOCSCCNC(=O)C 62a_100000189650_100000739092 [0,2,0,0,0,0|2,0,0]=4 6731 B10R0.4 CCOCSCCNC(=O)C 62a_100000739092_100000189650 [0,2,0,0,0,0|2,0,0]=4 6732 B10R0.4 CCOCSCCNC(=O)N 62a_100000739092_200000034859 [0,2,0,0,0,0|2,0,0]=4 6733 B10R0.4 CCOCSCCNC(=O)N 62a_200000034859_100000739092 [0,2,0,0,0,0|2,0,0]=4 6734 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,2,0,0,0,0|2,0,0]=4 6735 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,2,0,0,0,0|2,0,0]=4 6736 B10R0.4 CCOCSCCOC(=O)N 62a_100000739092_200011214921 [0,2,0,0,0,0|2,0,0]=4 6737 B10R0.4 CCOCSCCOC(=O)N 62a_200011214921_100000739092 [0,2,0,0,0,0|2,0,0]=4 6738 B10R0.4 CCSCCCCCB(O)O 62a_100000210202_200009817188 [0,2,0,0,0,0|1,0,1]=4 6739 B10R0.4 CCSCCCCCB(O)O 62a_200009817188_100000210202 [0,2,0,0,0,0|1,0,1]=4 6740 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [0,2,0,0,0,0|1,0,0]=3 6741 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [0,2,0,0,0,0|1,0,0]=3 6742 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,2,0,0,0,0|1,0,0]=3 6743 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,2,0,0,0,0|1,0,0]=3 6744 B10R0.4 CCSCCCCO[N+](=O)[O-] 62a_100000210202_100015694321 [0,2,0,0,0,0|1,0,1]=4 6745 B10R0.4 CCSCCCCSC(=O)C 62a_100000210202_200010402107 [0,2,0,0,0,0|1,0,0]=3 6746 B10R0.4 CCSCCCCSC(=O)C 62a_200010402107_100000210202 [0,2,0,0,0,0|1,0,0]=3 6747 B10R0.4 CCSCCCOCC(=O)N 34a_100011216438_100000187820 [0,2,0,0,0,0|1,0,0]=3 6748 B10R0.4 CCSCCCOCC(=O)N 7a_100011216438_100000187820 [0,2,0,0,0,0|1,0,0]=3 6749 B10R0.4 CCSCCCOCC(=O)[O-] 34a_100011216438_100020667443 [0,2,0,0,0,0|0,0,1]=3 6750 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [0,2,0,0,0,0|1,0,1]=4 6751 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [0,2,0,0,0,0|1,0,1]=4 6752 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [0,2,0,0,0,0|1,0,1]=4 6753 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [0,2,0,0,0,0|1,0,1]=4 6754 B10R0.4 CCSCCCOC[N+](=O)[O-] 34a_100011216438_100000761209 [0,2,0,0,0,0|1,0,1]=4 6755 B10R0.4 CCSCCNCCC(=O)N 2230a_100000106463_100000744528 [0,2,0,0,0,0|1,0,0]=3 6756 B10R0.4 CCSCCNCCC(C)O 2230a_100000106463_100012276601 [0,2,0,0,0,0|1,0,1]=4 6757 B10R0.4 CCSCCNCCC(C)O 2230a_200000755665_100000757381 [0,2,0,0,0,0|1,0,1]=4 6758 B10R0.4 CCSCCNOCC(=O)O 269956a_100000106656_100000757381 [0,2,0,0,0,0|1,0,0]=3 6759 B10R0.4 CCSCCOCCC(=O)C 34a_100000759926_100000757381 [0,2,0,0,0,0|1,0,0]=3 6760 B10R0.4 CCSCCOCCC(=O)C 7a_100000212035_100000053229 [0,2,0,0,0,0|1,0,0]=3 6761 B10R0.4 CCSCCOCCC(=O)C 7a_100000759926_100000757381 [0,2,0,0,0,0|1,0,0]=3 6762 B10R0.4 CCSCCOCCC(=O)N 34a_100000212035_100000731001 [0,2,0,0,0,0|1,0,0]=3 6763 B10R0.4 CCSCCOCCC(=O)N 34a_100000757172_100000757381 [0,2,0,0,0,0|1,0,0]=3 6764 B10R0.4 CCSCCOCCC(=O)N 7a_100000212035_100000744528 [0,2,0,0,0,0|1,0,0]=3 6765 B10R0.4 CCSCCOCCC(=O)N 7a_100000757172_100000757381 [0,2,0,0,0,0|1,0,0]=3 6766 B10R0.4 CCSCCOCCC(C)O 34a_100000212035_100012276601 [0,2,0,0,0,0|1,0,1]=4 6767 B10R0.4 CCSCCOCCC(C)O 7a_100000212035_100012276601 [0,2,0,0,0,0|1,0,1]=4 6768 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,2,0,0,0,0|2,0,0]=4 6769 B10R0.4 CCSCCSCCC(=O)C 62a_100000053229_100000757381 [0,2,0,0,0,0|1,0,0]=3 6770 B10R0.4 CCSCCSCCC(=O)C 62a_100000757381_100000053229 [0,2,0,0,0,0|1,0,0]=3 6771 B10R0.4 CCSCCSCCC(=O)N 62a_100000744528_100000757381 [0,2,0,0,0,0|1,0,0]=3 6772 B10R0.4 CCSCCSCCC(=O)N 62a_100000757381_100000744528 [0,2,0,0,0,0|1,0,0]=3 6773 B10R0.4 CCSCCSCCC(C)O 62a_100000757381_100012276601 [0,2,0,0,0,0|1,0,1]=4 6774 B10R0.4 CCSCCSCCC(C)O 62a_100012276601_100000757381 [0,2,0,0,0,0|1,0,1]=4 6775 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,2,0,0,0,0|2,0,0]=4 6776 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,2,0,0,0,0|2,0,0]=4 6777 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,2,0,0,0,0|2,0,0]=4 6778 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,2,0,0,0,0|2,0,0]=4 6779 B10R0.4 CNCCCCCCB(O)O 2230a_106832991635_100009817187 [0,2,0,0,0,0|1,0,1]=4 6780 B10R0.4 CNCCCCCCB(O)O 34a_100102657272_100009817187 [0,2,0,0,0,0|1,0,1]=4 6781 B10R0.4 CNCCCCCCB(O)O 7a_106832991635_100009817187 [0,2,0,0,0,0|1,0,1]=4 6782 B10R0.4 CNCCCCCNC(=O)C 2230a_200012022750_200000210301 [0,2,0,0,0,0|1,0,0]=3 6783 B10R0.4 CNCCCCCNC(=O)C 34a_200012022750_200000210301 [0,2,0,0,0,0|1,0,0]=3 6784 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,2,0,0,0,0|1,0,0]=3 6785 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,2,0,0,0,0|1,0,0]=3 6786 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,2,0,0,0,0|1,0,0]=3 6787 B10R0.4 CNCCCOCCC(=O)N 34a_100000213112_100000731001 [0,2,0,0,0,0|1,0,0]=3 6788 B10R0.4 CNCCCOCCC(C)O 34a_100000213112_100012276601 [0,2,0,0,0,0|1,0,1]=4 6789 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,2,0,0,0,0|2,0,0]=4 6790 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,2,0,0,0,0|2,0,0]=4 6791 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,2,0,0,0,0|2,0,0]=4 6792 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,2,0,0,0,0|2,0,0]=4 6793 B10R0.4 COCCCCCCB(O)O 34a_100138415774_100009817187 [0,2,0,0,0,0|1,0,1]=4 6794 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [0,2,0,0,0,0|1,0,0]=3 6795 B10R0.4 COCCCCCNC(=O)C 11a_100000747528_100015343762 [0,2,0,0,0,0|1,0,0]=3 6796 B10R0.4 COCCCCCNC(=O)C 1626a_100000747528_100015343762 [0,2,0,0,0,0|1,0,0]=3 6797 B10R0.4 COCCCCCNC(=O)C 240690a_100000747528_100015343762 [0,2,0,0,0,0|1,0,0]=3 6798 B10R0.4 COCCCCCNC(=O)C 527a_100000747528_100103153847 [0,2,0,0,0,0|1,0,0]=3 6799 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,2,0,0,0,0|1,0,0]=3 6800 B10R0.4 COCCCCNCC(=O)N 2230a_100000711301_100000730899 [0,2,0,0,0,0|1,0,0]=3 6801 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [0,2,0,0,0,0|0,0,0]=2 6802 B10R0.4 COCCCCNCC(C)O 2230a_100000210904_100000730899 [0,2,0,0,0,0|1,0,1]=4 6803 B10R0.4 COCCCCNCC(C)O 34a_100000210904_100000755781 [0,2,0,0,0,0|1,0,1]=4 6804 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,2,0,0,0,0|1,0,0]=3 6805 B10R0.4 COCCCCOCC(=O)N 34a_100000740925_100000187820 [0,2,0,0,0,0|1,0,0]=3 6806 B10R0.4 COCCCCOCC(=O)[O-] 34a_100000740925_100020667443 [0,2,0,0,0,0|0,0,1]=3 6807 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [0,2,0,0,0,0|1,0,1]=4 6808 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [0,2,0,0,0,0|1,0,1]=4 6809 B10R0.4 COCCCCOC[N+](=O)[O-] 34a_100000740925_100000761209 [0,2,0,0,0,0|1,0,1]=4 6810 B10R0.4 COCCCCSCC(=O)N 62a_100000730899_100000747473 [0,2,0,0,0,0|1,0,0]=3 6811 B10R0.4 COCCCCSCC(=O)N 62a_100000747473_100000730899 [0,2,0,0,0,0|1,0,0]=3 6812 B10R0.4 COCCCCSCC(=O)[O-] 62a_100000730899_100020667443 [0,2,0,0,0,0|0,0,1]=3 6813 B10R0.4 COCCCCSCC(=O)[O-] 62a_100020667443_100000730899 [0,2,0,0,0,0|0,0,1]=3 6814 B10R0.4 COCCCCSCC(C)O 62a_100000730899_100011218427 [0,2,0,0,0,0|1,0,1]=4 6815 B10R0.4 COCCCCSCC(C)O 62a_100011218427_100000730899 [0,2,0,0,0,0|1,0,1]=4 6816 B10R0.4 COCCCCSC[C@@H](C)O 62a_100000730899_100009817552 [0,2,0,0,0,0|1,0,1]=4 6817 B10R0.4 COCCCCSC[C@@H](C)O 62a_100009817552_100000730899 [0,2,0,0,0,0|1,0,1]=4 6818 B10R0.4 COCCCCSC[N+](=O)[O-] 62a_100000730899_100000761209 [0,2,0,0,0,0|1,0,1]=4 6819 B10R0.4 COCCCNCCC(=O)N 34a_100150723488_100000731001 [0,2,0,0,0,0|1,0,0]=3 6820 B10R0.4 COCCCNCCC(C)O 2230a_200000755665_100000740836 [0,2,0,0,0,0|1,0,1]=4 6821 B10R0.4 COCCCNCCC(C)O 34a_100150723488_100012276601 [0,2,0,0,0,0|1,0,1]=4 6822 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,2,0,0,0,0|2,0,0]=4 6823 B10R0.4 COCCCNOCC(=O)O 269956a_100000106656_100000740836 [0,2,0,0,0,0|1,0,0]=3 6824 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,2,0,0,0,0|1,0,0]=3 6825 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,2,0,0,0,0|1,0,0]=3 6826 B10R0.4 COCCCOCCC(=O)N 34a_100000740835_100000731001 [0,2,0,0,0,0|1,0,0]=3 6827 B10R0.4 COCCCOCCC(=O)N 34a_100000757172_100000740836 [0,2,0,0,0,0|1,0,0]=3 6828 B10R0.4 COCCCOCCC(=O)N 7a_100000757172_100000740836 [0,2,0,0,0,0|1,0,0]=3 6829 B10R0.4 COCCCOCCC(C)O 34a_100000740835_100012276601 [0,2,0,0,0,0|1,0,1]=4 6830 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,2,0,0,0,0|2,0,0]=4 6831 B10R0.4 COCCCSCCC(=O)C 62a_100000053229_100000709357 [0,2,0,0,0,0|1,0,0]=3 6832 B10R0.4 COCCCSCCC(=O)C 62a_100000709357_100000053229 [0,2,0,0,0,0|1,0,0]=3 6833 B10R0.4 COCCCSCCC(=O)N 62a_100000709357_100000744528 [0,2,0,0,0,0|1,0,0]=3 6834 B10R0.4 COCCCSCCC(=O)N 62a_100000744528_100000709357 [0,2,0,0,0,0|1,0,0]=3 6835 B10R0.4 COCCCSCCC(C)O 62a_100000709357_100012276601 [0,2,0,0,0,0|1,0,1]=4 6836 B10R0.4 COCCCSCCC(C)O 62a_100012276601_100000709357 [0,2,0,0,0,0|1,0,1]=4 6837 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,2,0,0,0,0|2,0,0]=4 6838 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,2,0,0,0,0|2,0,0]=4 6839 B10R0.4 COCCNCCCC(=O)N 34a_100000739312_100011201679 [0,2,0,0,0,0|1,0,0]=3 6840 B10R0.4 COCCNCCCC(C)O 2230a_100000209980_200000718107 [0,2,0,0,0,0|1,0,1]=4 6841 B10R0.4 COCCNCCCS(=O)C 2230a_200000753449_100011201679 [0,2,0,0,0,0|2,0,0]=4 6842 B10R0.4 COCCNCCNC(=O)C 2230a_100000209853_100011201679 [0,2,0,0,0,0|2,0,0]=4 6843 B10R0.4 COCCNCCNC(=O)C 2230a_100000209980_100000189650 [0,2,0,0,0,0|2,0,0]=4 6844 B10R0.4 COCCNCCNC(=O)N 2230a_100000209980_200000034859 [0,2,0,0,0,0|2,0,0]=4 6845 B10R0.4 COCCNCCNC(=O)N 34a_100020590234_100011201679 [0,2,0,0,0,0|2,0,0]=4 6846 B10R0.4 COCCOCCCC(=O)C 1458a_100000070787_100011216529 [0,2,0,0,0,0|1,0,0]=3 6847 B10R0.4 COCCOCCCC(=O)C 34a_100000210237_100000685027 [0,2,0,0,0,0|1,0,0]=3 6848 B10R0.4 COCCOCCCC(=O)C 34a_100000759063_100011201679 [0,2,0,0,0,0|1,0,0]=3 6849 B10R0.4 COCCOCCCC(=O)C 7a_100000759063_100000233755 [0,2,0,0,0,0|1,0,0]=3 6850 B10R0.4 COCCOCCCC(=O)N 34a_100000210237_100102525003 [0,2,0,0,0,0|1,0,0]=3 6851 B10R0.4 COCCOCCCC(C)O 34a_100000210237_200000718107 [0,2,0,0,0,0|1,0,1]=4 6852 B10R0.4 COCCOCCC[N+](=O)[O-] 34a_200000037920_100011201679 [0,2,0,0,0,0|1,0,1]=4 6853 B10R0.4 COCCOCCNC(=O)C 11a_100000745349_100015343762 [0,2,0,0,0,0|2,0,0]=4 6854 B10R0.4 COCCOCCNC(=O)C 1626a_100000745349_100015343762 [0,2,0,0,0,0|2,0,0]=4 6855 B10R0.4 COCCOCCNC(=O)C 240690a_100000745349_100015343762 [0,2,0,0,0,0|2,0,0]=4 6856 B10R0.4 COCCOCCNC(=O)C 34a_100000158858_100011201679 [0,2,0,0,0,0|2,0,0]=4 6857 B10R0.4 COCCOCCNC(=O)C 527a_100000745349_100103153847 [0,2,0,0,0,0|2,0,0]=4 6858 B10R0.4 COCCOCCNC(=O)N 34a_100000181757_100011201679 [0,2,0,0,0,0|2,0,0]=4 6859 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,2,0,0,0,0|2,0,0]=4 6860 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,2,0,0,0,0|2,0,0]=4 6861 B10R0.4 COCCOCCOC(=O)N 34a_100000210237_200011214921 [0,2,0,0,0,0|2,0,0]=4 6862 B10R0.4 COCCOCCOC(=O)N 7a_100000766696_100000233755 [0,2,0,0,0,0|2,0,0]=4 6863 B10R0.4 COCCOCNCC(=O)N 2230a_100000711301_100000231047 [0,2,0,0,0,0|2,0,0]=4 6864 B10R0.4 COCCOCNCC(=O)O 269956a_100016091260_100000231047 [0,2,0,0,0,0|1,0,0]=3 6865 B10R0.4 COCCOCSCC(=O)N 62a_100000231047_100000747473 [0,2,0,0,0,0|2,0,0]=4 6866 B10R0.4 COCCOCSCC(=O)N 62a_100000747473_100000231047 [0,2,0,0,0,0|2,0,0]=4 6867 B10R0.4 COCCOCSCC(=O)[O-] 62a_100000231047_100020667443 [0,2,0,0,0,0|1,0,1]=4 6868 B10R0.4 COCCOCSCC(=O)[O-] 62a_100020667443_100000231047 [0,2,0,0,0,0|1,0,1]=4 6869 B10R0.4 COCCSCCCC(=O)C 62a_100000233755_100011215641 [0,2,0,0,0,0|1,0,0]=3 6870 B10R0.4 COCCSCCCC(=O)C 62a_100011215641_100000233755 [0,2,0,0,0,0|1,0,0]=3 6871 B10R0.4 COCCSCCCC(=O)N 62a_100000233755_100102525003 [0,2,0,0,0,0|1,0,0]=3 6872 B10R0.4 COCCSCCCC(=O)N 62a_100102525003_100000233755 [0,2,0,0,0,0|1,0,0]=3 6873 B10R0.4 COCCSCCCC(C)O 62a_100000233755_200000718107 [0,2,0,0,0,0|1,0,1]=4 6874 B10R0.4 COCCSCCCC(C)O 62a_200000718107_100000233755 [0,2,0,0,0,0|1,0,1]=4 6875 B10R0.4 COCCSCCNC(=O)C 62a_100000189650_100000233755 [0,2,0,0,0,0|2,0,0]=4 6876 B10R0.4 COCCSCCNC(=O)C 62a_100000233755_100000189650 [0,2,0,0,0,0|2,0,0]=4 6877 B10R0.4 COCCSCCNC(=O)N 62a_100000233755_200000034859 [0,2,0,0,0,0|2,0,0]=4 6878 B10R0.4 COCCSCCNC(=O)N 62a_200000034859_100000233755 [0,2,0,0,0,0|2,0,0]=4 6879 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,2,0,0,0,0|2,0,0]=4 6880 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,2,0,0,0,0|2,0,0]=4 6881 B10R0.4 COCCSCCOC(=O)N 62a_100000233755_200011214921 [0,2,0,0,0,0|2,0,0]=4 6882 B10R0.4 COCCSCCOC(=O)N 62a_200011214921_100000233755 [0,2,0,0,0,0|2,0,0]=4 6883 B10R0.4 COCNCCOCC(=O)O 269956a_100000700818_100000766300 [0,2,0,0,0,0|1,0,0]=3 6884 B10R0.4 COCSCCCCB(O)O 62a_100000766300_200009817182 [0,2,0,0,0,0|1,0,1]=4 6885 B10R0.4 COCSCCCCB(O)O 62a_200009817182_100000766300 [0,2,0,0,0,0|1,0,1]=4 6886 B10R0.4 COCSCCCCC(=O)C 62a_100000735457_100000766300 [0,2,0,0,0,0|1,0,0]=3 6887 B10R0.4 COCSCCCCC(=O)C 62a_100000766300_100000735457 [0,2,0,0,0,0|1,0,0]=3 6888 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,2,0,0,0,0|2,0,0]=4 6889 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,2,0,0,0,0|2,0,0]=4 6890 B10R0.4 COCSCCCSC(=O)C 62a_100000038929_100000766300 [0,2,0,0,0,0|2,0,0]=4 6891 B10R0.4 COCSCCCSC(=O)C 62a_100000766300_100000038929 [0,2,0,0,0,0|2,0,0]=4 6892 B10R0.4 COCSCCOCC(=O)N 62a_100000076697_100000766300 [0,2,0,0,0,0|2,0,0]=4 6893 B10R0.4 COCSCCOCC(=O)N 62a_100000766300_100000076697 [0,2,0,0,0,0|2,0,0]=4 6894 B10R0.4 CS(=O)CCCNCCCF 2230a_200000753449_100011934791 [0,2,0,0,0,0|2,0,0]=4 6895 B10R0.4 CS(=O)CCCNCCCO 2230a_200000753449_100000230001 [0,2,0,0,0,0|2,0,0]=4 6896 B10R0.4 CSCCCCCCB(O)O 62a_100009817187_200000210301 [0,2,0,0,0,0|1,0,1]=4 6897 B10R0.4 CSCCCCCCB(O)O 62a_200000210301_100009817187 [0,2,0,0,0,0|1,0,1]=4 6898 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,2,0,0,0,0|1,0,0]=3 6899 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,2,0,0,0,0|1,0,0]=3 6900 B10R0.4 CSCCCCOCC(=O)N 34a_100011217163_100000187820 [0,2,0,0,0,0|1,0,0]=3 6901 B10R0.4 CSCCCCOCC(=O)N 7a_100011217163_100000187820 [0,2,0,0,0,0|1,0,0]=3 6902 B10R0.4 CSCCCCOCC(=O)[O-] 34a_100011217163_100020667443 [0,2,0,0,0,0|0,0,1]=3 6903 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [0,2,0,0,0,0|1,0,1]=4 6904 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [0,2,0,0,0,0|1,0,1]=4 6905 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [0,2,0,0,0,0|1,0,1]=4 6906 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [0,2,0,0,0,0|1,0,1]=4 6907 B10R0.4 CSCCCCOC[N+](=O)[O-] 34a_100011217163_100000761209 [0,2,0,0,0,0|1,0,1]=4 6908 B10R0.4 CSCCCNCCC(=O)N 2230a_100000749238_100000744528 [0,2,0,0,0,0|1,0,0]=3 6909 B10R0.4 CSCCCNCCC(C)O 2230a_100000749238_100012276601 [0,2,0,0,0,0|1,0,1]=4 6910 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,2,0,0,0,0|1,0,0]=3 6911 B10R0.4 CSCCCOCCC(=O)N 34a_100000690336_100000731001 [0,2,0,0,0,0|1,0,0]=3 6912 B10R0.4 CSCCCOCCC(=O)N 7a_100000690336_100000744528 [0,2,0,0,0,0|1,0,0]=3 6913 B10R0.4 CSCCCOCCC(C)O 34a_100000690336_100012276601 [0,2,0,0,0,0|1,0,1]=4 6914 B10R0.4 CSCCCOCCC(C)O 7a_100000690336_100012276601 [0,2,0,0,0,0|1,0,1]=4 6915 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,2,0,0,0,0|2,0,0]=4 6916 B10R0.4 CSCCNCCCC(=O)N 34a_100000739312_100000212216 [0,2,0,0,0,0|1,0,0]=3 6917 B10R0.4 CSCCNCCCC(C)O 2230a_100020590264_200000718107 [0,2,0,0,0,0|1,0,1]=4 6918 B10R0.4 CSCCNCCCS(=O)C 2230a_200000753449_100000751147 [0,2,0,0,0,0|2,0,0]=4 6919 B10R0.4 CSCCNCCNC(=O)C 2230a_100000209853_100000751147 [0,2,0,0,0,0|2,0,0]=4 6920 B10R0.4 CSCCNCCNC(=O)C 2230a_100020590264_100000189650 [0,2,0,0,0,0|2,0,0]=4 6921 B10R0.4 CSCCNCCNC(=O)N 2230a_100020590264_200000034859 [0,2,0,0,0,0|2,0,0]=4 6922 B10R0.4 CSCCNCCNC(=O)N 34a_100020590234_100000212216 [0,2,0,0,0,0|2,0,0]=4 6923 B10R0.4 CSCCOCCCC(=O)C 34a_100000230434_100000685027 [0,2,0,0,0,0|1,0,0]=3 6924 B10R0.4 CSCCOCCCC(=O)C 34a_100000759063_100000212216 [0,2,0,0,0,0|1,0,0]=3 6925 B10R0.4 CSCCOCCCC(=O)C 7a_100000230434_100011215641 [0,2,0,0,0,0|1,0,0]=3 6926 B10R0.4 CSCCOCCCC(=O)C 7a_100000759063_100000212216 [0,2,0,0,0,0|1,0,0]=3 6927 B10R0.4 CSCCOCCCC(=O)N 34a_100000230434_100102525003 [0,2,0,0,0,0|1,0,0]=3 6928 B10R0.4 CSCCOCCCC(=O)N 7a_100000230434_100102525003 [0,2,0,0,0,0|1,0,0]=3 6929 B10R0.4 CSCCOCCCC(C)O 34a_100000230434_200000718107 [0,2,0,0,0,0|1,0,1]=4 6930 B10R0.4 CSCCOCCCC(C)O 7a_100000230434_200000718107 [0,2,0,0,0,0|1,0,1]=4 6931 B10R0.4 CSCCOCCC[N+](=O)[O-] 34a_200000037920_100000212216 [0,2,0,0,0,0|1,0,1]=4 6932 B10R0.4 CSCCOCCNC(=O)C 34a_100000158858_100000212216 [0,2,0,0,0,0|2,0,0]=4 6933 B10R0.4 CSCCOCCNC(=O)C 7a_100000230434_100000189650 [0,2,0,0,0,0|2,0,0]=4 6934 B10R0.4 CSCCOCCNC(=O)N 34a_100000181757_100000212216 [0,2,0,0,0,0|2,0,0]=4 6935 B10R0.4 CSCCOCCNC(=O)N 7a_100000230434_200000034859 [0,2,0,0,0,0|2,0,0]=4 6936 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,2,0,0,0,0|2,0,0]=4 6937 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,2,0,0,0,0|2,0,0]=4 6938 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,2,0,0,0,0|2,0,0]=4 6939 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,2,0,0,0,0|2,0,0]=4 6940 B10R0.4 CSCCOCCOC(=O)N 34a_100000230434_200011214921 [0,2,0,0,0,0|2,0,0]=4 6941 B10R0.4 CSCCOCCOC(=O)N 7a_100000230434_200011214921 [0,2,0,0,0,0|2,0,0]=4 6942 B10R0.4 CSCCOCCOC(=O)N 7a_100000766696_100000212216 [0,2,0,0,0,0|2,0,0]=4 6943 B10R0.4 CSCCSCCCC(=O)C 62a_100000212216_100011215641 [0,2,0,0,0,0|1,0,0]=3 6944 B10R0.4 CSCCSCCCC(=O)C 62a_100011215641_100000751147 [0,2,0,0,0,0|1,0,0]=3 6945 B10R0.4 CSCCSCCCC(=O)N 62a_100000212216_100102525003 [0,2,0,0,0,0|1,0,0]=3 6946 B10R0.4 CSCCSCCCC(=O)N 62a_100102525003_100000751147 [0,2,0,0,0,0|1,0,0]=3 6947 B10R0.4 CSCCSCCCC(C)O 62a_100000212216_200000718107 [0,2,0,0,0,0|1,0,1]=4 6948 B10R0.4 CSCCSCCCC(C)O 62a_200000718107_100000751147 [0,2,0,0,0,0|1,0,1]=4 6949 B10R0.4 CSCCSCCNC(=O)C 62a_100000189650_100000751147 [0,2,0,0,0,0|2,0,0]=4 6950 B10R0.4 CSCCSCCNC(=O)C 62a_100000212216_100000189650 [0,2,0,0,0,0|2,0,0]=4 6951 B10R0.4 CSCCSCCNC(=O)N 62a_100000212216_200000034859 [0,2,0,0,0,0|2,0,0]=4 6952 B10R0.4 CSCCSCCNC(=O)N 62a_200000034859_100000751147 [0,2,0,0,0,0|2,0,0]=4 6953 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,2,0,0,0,0|2,0,0]=4 6954 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,2,0,0,0,0|2,0,0]=4 6955 B10R0.4 CSCCSCCOC(=O)N 62a_100000212216_200011214921 [0,2,0,0,0,0|2,0,0]=4 6956 B10R0.4 CSCCSCCOC(=O)N 62a_200011214921_100000751147 [0,2,0,0,0,0|2,0,0]=4 6957 B10R0.4 CSCNCCCCC(=O)N 34a_100000696515_100011218213 [0,2,0,0,0,0|1,0,0]=3 6958 B10R0.4 CSCNCCCNC(=O)C 34a_100000736810_100011218213 [0,2,0,0,0,0|2,0,0]=4 6959 B10R0.4 CSCNCCOCC(=O)O 269956a_100000700818_100011218213 [0,2,0,0,0,0|1,0,0]=3 6960 B10R0.4 CSCOCCCCC(=O)N 34a_100012022536_100011218213 [0,2,0,0,0,0|1,0,0]=3 6961 B10R0.4 CSCOCCCC[N+](=O)[O-] 34a_200015379883_100011218213 [0,2,0,0,0,0|1,0,1]=4 6962 B10R0.4 CSCOCCCNC(=O)C 34a_100000752032_100011218213 [0,2,0,0,0,0|2,0,0]=4 6963 B10R0.4 CSCSCCCCB(O)O 62a_100011218213_200009817182 [0,2,0,0,0,0|1,0,1]=4 6964 B10R0.4 CSCSCCCCB(O)O 62a_200009817182_100011218213 [0,2,0,0,0,0|1,0,1]=4 6965 B10R0.4 CSCSCCCCC(=O)C 62a_100000735457_100011218213 [0,2,0,0,0,0|1,0,0]=3 6966 B10R0.4 CSCSCCCCC(=O)C 62a_100011218213_100000735457 [0,2,0,0,0,0|1,0,0]=3 6967 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,2,0,0,0,0|2,0,0]=4 6968 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,2,0,0,0,0|2,0,0]=4 6969 B10R0.4 CSCSCCCSC(=O)C 62a_100000038929_100011218213 [0,2,0,0,0,0|2,0,0]=4 6970 B10R0.4 CSCSCCCSC(=O)C 62a_100011218213_100000038929 [0,2,0,0,0,0|2,0,0]=4 6971 B10R0.4 CSCSCCOCC(=O)N 62a_100000076697_100011218213 [0,2,0,0,0,0|2,0,0]=4 6972 B10R0.4 CSCSCCOCC(=O)N 62a_100011218213_100000076697 [0,2,0,0,0,0|2,0,0]=4 6973 B10R0.4 C[C@@H](O)CNCCCCCO 2230a_100000762737_100009817552 [0,2,0,0,0,0|1,0,1]=4 6974 B10R0.4 C[C@@H](O)CNCCCCCO 34a_100000762737_100009817552 [0,2,0,0,0,0|1,0,1]=4 6975 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [0,2,0,0,0,0|1,0,1]=4 6976 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [0,2,0,0,0,0|1,0,1]=4 6977 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [0,2,0,0,0,0|1,0,1]=4 6978 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [0,2,0,0,0,0|1,0,1]=4 6979 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [0,2,0,0,0,0|1,0,1]=4 6980 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [0,2,0,0,0,0|1,0,1]=4 6981 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [0,2,0,0,0,0|1,0,1]=4 6982 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100000729378_100009817552 [0,2,0,0,0,0|1,0,1]=4 6983 B10R0.4 C[C@@H](O)CSCCCCCF 62a_100009817552_100000729378 [0,2,0,0,0,0|1,0,1]=4 6984 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100000746330_100009817552 [0,2,0,0,0,0|1,0,1]=4 6985 B10R0.4 C[C@@H](O)CSCCCCCO 62a_100009817552_100000746330 [0,2,0,0,0,0|1,0,1]=4 6986 B10R0.4 N#CCCCCNCC(=O)N 2230a_100000711301_100000211819 [0,2,0,0,0,0|1,0,1]=4 6987 B10R0.4 N#CCCCCNCC(=O)O 269956a_100016091260_100011219923 [0,2,0,0,0,0|0,0,1]=3 6988 B10R0.4 N#CCCCCSCC(=O)N 62a_100000747473_100000211819 [0,2,0,0,0,0|1,0,1]=4 6989 B10R0.4 N#CCCCCSCC(=O)N 62a_100011219923_100000747473 [0,2,0,0,0,0|1,0,1]=4 6990 B10R0.4 N#CCCCCSCC(=O)[O-] 62a_100011219923_100020667443 [0,2,0,0,0,0|0,0,2]=4 6991 B10R0.4 N#CCCCCSCC(=O)[O-] 62a_100020667443_100000211819 [0,2,0,0,0,0|0,0,2]=4 6992 B10R0.4 N#CCCCNOCC(=O)O 269956a_100000106656_100000687738 [0,2,0,0,0,0|1,0,1]=4 6993 B10R0.4 N#CCCCOCCC(=O)N 7a_100000757172_100000687738 [0,2,0,0,0,0|1,0,1]=4 6994 B10R0.4 N#CCCCSCCC(=O)N 62a_100000687738_100000744528 [0,2,0,0,0,0|1,0,1]=4 6995 B10R0.4 N#CCCCSCCC(=O)N 62a_100000744528_100000687738 [0,2,0,0,0,0|1,0,1]=4 6996 B10R0.4 N#CCCSCCCC(=O)N 62a_100011215226_100102525003 [0,2,0,0,0,0|1,0,1]=4 6997 B10R0.4 N#CCCSCCCC(=O)N 62a_100102525003_100011215226 [0,2,0,0,0,0|1,0,1]=4 6998 B10R0.4 N#CCNCCOCC(=O)O 269956a_100000700818_100011215382 [0,2,0,0,0,0|1,0,1]=4 6999 B10R0.4 N#CCOCCCCC(=O)N 7a_100012022536_100011215382 [0,2,0,0,0,0|1,0,1]=4 7000 B10R0.4 N#CCOCCNCC(=O)O 269956a_100016091260_200000047693 [0,2,0,0,0,0|1,0,1]=4 7001 B10R0.4 NC(=O)CCCCCOCF 34a_100000123541_100015361967 [0,2,0,0,0,0|1,0,0]=3 7002 B10R0.4 NC(=O)CCCCCOCF 7a_100000123541_100015361967 [0,2,0,0,0,0|1,0,0]=3 7003 B10R0.4 NC(=O)CCCCCSCF 62a_100009817443_100015361967 [0,2,0,0,0,0|1,0,0]=3 7004 B10R0.4 NC(=O)CCCCCSCF 62a_100015361967_100009817443 [0,2,0,0,0,0|1,0,0]=3 7005 B10R0.4 NC(=O)CCCCNCC=O 34a_100000696515_200009817547 [0,2,0,0,0,0|1,0,1]=4 7006 B10R0.4 NC(=O)CCCCNCCF 34a_100000696515_100011217306 [0,2,0,0,0,0|1,0,0]=3 7007 B10R0.4 NC(=O)CCCCNCCO 34a_100000696515_100000211926 [0,2,0,0,0,0|1,0,0]=3 7008 B10R0.4 NC(=O)CCCCOCC=O 34a_100012022536_200009817547 [0,2,0,0,0,0|1,0,1]=4 7009 B10R0.4 NC(=O)CCCCOCC=O 7a_100012022536_200015260668 [0,2,0,0,0,0|1,0,1]=4 7010 B10R0.4 NC(=O)CCCCOCCF 34a_100012022536_100011217306 [0,2,0,0,0,0|1,0,0]=3 7011 B10R0.4 NC(=O)CCCCOCCF 7a_100012022536_100011217306 [0,2,0,0,0,0|1,0,0]=3 7012 B10R0.4 NC(=O)CCCCOCCO 34a_100012022536_100000211926 [0,2,0,0,0,0|1,0,0]=3 7013 B10R0.4 NC(=O)CCCCOCCO 7a_100012022536_100000211926 [0,2,0,0,0,0|1,0,0]=3 7014 B10R0.4 NC(=O)CCCNCCCF 34a_100000739312_100011934791 [0,2,0,0,0,0|1,0,0]=3 7015 B10R0.4 NC(=O)CCCNCCCF 34a_100015189416_100102525003 [0,2,0,0,0,0|1,0,0]=3 7016 B10R0.4 NC(=O)CCCNCCCO 34a_100000739312_100000230001 [0,2,0,0,0,0|1,0,0]=3 7017 B10R0.4 NC(=O)CCCOCCCBr 34a_100011217188_100102525003 [0,2,0,0,0,0|1,0,0]=3 7018 B10R0.4 NC(=O)CCCOCCCCl 34a_100000230001_100102525003 [0,2,0,0,0,0|1,0,0]=3 7019 B10R0.4 NC(=O)CCCOCCCF 34a_100000759539_100102525003 [0,2,0,0,0,0|1,0,0]=3 7020 B10R0.4 NC(=O)CCCSCCCF 62a_100011934791_100102525003 [0,2,0,0,0,0|1,0,0]=3 7021 B10R0.4 NC(=O)CCCSCCCF 62a_100102525003_100011934791 [0,2,0,0,0,0|1,0,0]=3 7022 B10R0.4 NC(=O)CCCSCCCO 62a_100011215043_100102525003 [0,2,0,0,0,0|1,0,0]=3 7023 B10R0.4 NC(=O)CCCSCCCO 62a_100102525003_100011215043 [0,2,0,0,0,0|1,0,0]=3 7024 B10R0.4 NC(=O)CCNCCCCO 2230a_100000750430_100000744528 [0,2,0,0,0,0|1,0,0]=3 7025 B10R0.4 NC(=O)CCNCCCCO 34a_100000750430_100000731001 [0,2,0,0,0,0|1,0,0]=3 7026 B10R0.4 NC(=O)CCOCCCC=O 7a_100000757172_200011292268 [0,2,0,0,0,0|1,0,1]=4 7027 B10R0.4 NC(=O)CCOCCCCBr 34a_100011216708_100000731001 [0,2,0,0,0,0|1,0,0]=3 7028 B10R0.4 NC(=O)CCOCCCCCl 34a_100000210776_100000731001 [0,2,0,0,0,0|1,0,0]=3 7029 B10R0.4 NC(=O)CCOCCCCCl 7a_100000210776_100000744528 [0,2,0,0,0,0|1,0,0]=3 7030 B10R0.4 NC(=O)CCOCCCCF 34a_100000757172_100000729493 [0,2,0,0,0,0|1,0,0]=3 7031 B10R0.4 NC(=O)CCOCCCCF 34a_100011995726_100000731001 [0,2,0,0,0,0|1,0,0]=3 7032 B10R0.4 NC(=O)CCOCCCCF 7a_100000757172_100000729493 [0,2,0,0,0,0|1,0,0]=3 7033 B10R0.4 NC(=O)CCOCCCCF 7a_100011995726_100000744528 [0,2,0,0,0,0|1,0,0]=3 7034 B10R0.4 NC(=O)CCOCCCCI 34a_200012148704_100000731001 [0,2,0,0,0,0|1,0,0]=3 7035 B10R0.4 NC(=O)CCOCCCCO 34a_100000757172_100011216708 [0,2,0,0,0,0|1,0,0]=3 7036 B10R0.4 NC(=O)CCOCCCCO 7a_100000757172_100000210776 [0,2,0,0,0,0|1,0,0]=3 7037 B10R0.4 NC(=O)CCSCCCC=O 62a_100000744528_200011292268 [0,2,0,0,0,0|1,0,1]=4 7038 B10R0.4 NC(=O)CCSCCCC=O 62a_200011292268_100000744528 [0,2,0,0,0,0|1,0,1]=4 7039 B10R0.4 NC(=O)CCSCCCCF 62a_100000729493_100000744528 [0,2,0,0,0,0|1,0,0]=3 7040 B10R0.4 NC(=O)CCSCCCCF 62a_100000744528_100000729493 [0,2,0,0,0,0|1,0,0]=3 7041 B10R0.4 NC(=O)CCSCCCCO 62a_100000210776_100000744528 [0,2,0,0,0,0|1,0,0]=3 7042 B10R0.4 NC(=O)CCSCCCCO 62a_100000744528_100000210776 [0,2,0,0,0,0|1,0,0]=3 7043 B10R0.4 NC(=O)CNCCCCC=O 2230a_100000711301_100000139335 [0,2,0,0,0,0|1,0,1]=4 7044 B10R0.4 NC(=O)CNCCCCCF 2230a_100000711301_100000729378 [0,2,0,0,0,0|1,0,0]=3 7045 B10R0.4 NC(=O)CNCCCCCO 2230a_100000711301_100000746330 [0,2,0,0,0,0|1,0,0]=3 7046 B10R0.4 NC(=O)CNCCCCCO 2230a_100000762737_100000747473 [0,2,0,0,0,0|1,0,0]=3 7047 B10R0.4 NC(=O)CNCCCCCO 34a_100000762737_100000187820 [0,2,0,0,0,0|1,0,0]=3 7048 B10R0.4 NC(=O)CNCCOCCO 2230a_100000211614_100000747473 [0,2,0,0,0,0|2,0,0]=4 7049 B10R0.4 NC(=O)CNCCOCCO 2230a_100000711301_100011215305 [0,2,0,0,0,0|2,0,0]=4 7050 B10R0.4 NC(=O)CNCCOCCO 34a_100000211614_100000187820 [0,2,0,0,0,0|2,0,0]=4 7051 B10R0.4 NC(=O)CNCCSCCO 2230a_100011219999_100000747473 [0,2,0,0,0,0|2,0,0]=4 7052 B10R0.4 NC(=O)COCCCCCBr 34a_100000746331_100000187820 [0,2,0,0,0,0|1,0,0]=3 7053 B10R0.4 NC(=O)COCCCCCBr 7a_100000746331_100000187820 [0,2,0,0,0,0|1,0,0]=3 7054 B10R0.4 NC(=O)COCCCCCCl 34a_100000746330_100000187820 [0,2,0,0,0,0|1,0,0]=3 7055 B10R0.4 NC(=O)COCCCCCCl 7a_100000746330_100000187820 [0,2,0,0,0,0|1,0,0]=3 7056 B10R0.4 NC(=O)COCCCCCI 34a_200012148887_100000187820 [0,2,0,0,0,0|1,0,0]=3 7057 B10R0.4 NC(=O)COCCCCCI 7a_200012148887_100000187820 [0,2,0,0,0,0|1,0,0]=3 7058 B10R0.4 NC(=O)COCCNCCF 34a_100000724931_100000076697 [0,2,0,0,0,0|2,0,0]=4 7059 B10R0.4 NC(=O)COCCNCCO 2230a_100016997473_100000076697 [0,2,0,0,0,0|2,0,0]=4 7060 B10R0.4 NC(=O)COCCNCCO 34a_100016990907_100000076697 [0,2,0,0,0,0|2,0,0]=4 7061 B10R0.4 NC(=O)COCCOCCBr 34a_100000211926_100000076697 [0,2,0,0,0,0|2,0,0]=4 7062 B10R0.4 NC(=O)COCCOCCBr 34a_100000692535_100000187820 [0,2,0,0,0,0|2,0,0]=4 7063 B10R0.4 NC(=O)COCCOCCBr 7a_100000692535_100000187820 [0,2,0,0,0,0|2,0,0]=4 7064 B10R0.4 NC(=O)COCCOCCCl 34a_100011215305_100000187820 [0,2,0,0,0,0|2,0,0]=4 7065 B10R0.4 NC(=O)COCCOCCCl 7a_100011215305_100000187820 [0,2,0,0,0,0|2,0,0]=4 7066 B10R0.4 NC(=O)COCCOCCF 34a_200015357709_100000187820 [0,2,0,0,0,0|2,0,0]=4 7067 B10R0.4 NC(=O)COCCOCCF 7a_200015357709_100000187820 [0,2,0,0,0,0|2,0,0]=4 7068 B10R0.4 NC(=O)COCCOCCI 34a_100012149058_100000187820 [0,2,0,0,0,0|2,0,0]=4 7069 B10R0.4 NC(=O)COCCOCCI 7a_100012149058_100000187820 [0,2,0,0,0,0|2,0,0]=4 7070 B10R0.4 NC(=O)COCCSCCF 62a_100000076697_100011217306 [0,2,0,0,0,0|2,0,0]=4 7071 B10R0.4 NC(=O)COCCSCCF 62a_100011217306_100000076697 [0,2,0,0,0,0|2,0,0]=4 7072 B10R0.4 NC(=O)COCCSCCO 62a_100000076697_100000211926 [0,2,0,0,0,0|2,0,0]=4 7073 B10R0.4 NC(=O)COCCSCCO 62a_100000211926_100000076697 [0,2,0,0,0,0|2,0,0]=4 7074 B10R0.4 NC(=O)CSCCCCC=O 62a_100000139335_100000747473 [0,2,0,0,0,0|1,0,1]=4 7075 B10R0.4 NC(=O)CSCCCCC=O 62a_100000747473_100000139335 [0,2,0,0,0,0|1,0,1]=4 7076 B10R0.4 NC(=O)CSCCCCCF 62a_100000729378_100000747473 [0,2,0,0,0,0|1,0,0]=3 7077 B10R0.4 NC(=O)CSCCCCCF 62a_100000747473_100000729378 [0,2,0,0,0,0|1,0,0]=3 7078 B10R0.4 NC(=O)CSCCCCCO 62a_100000746330_100000747473 [0,2,0,0,0,0|1,0,0]=3 7079 B10R0.4 NC(=O)CSCCCCCO 62a_100000747473_100000746330 [0,2,0,0,0,0|1,0,0]=3 7080 B10R0.4 NC(=O)CSCCOCCO 62a_100000747473_100011215305 [0,2,0,0,0,0|2,0,0]=4 7081 B10R0.4 NC(=O)CSCCOCCO 62a_100011215305_100000747473 [0,2,0,0,0,0|2,0,0]=4 7082 B10R0.4 NC(=O)NCCNCCCF 2230a_100015189416_200000034859 [0,2,0,0,0,0|2,0,0]=4 7083 B10R0.4 NC(=O)NCCNCCCF 34a_100020590234_100011934791 [0,2,0,0,0,0|2,0,0]=4 7084 B10R0.4 NC(=O)NCCNCCCO 34a_100020590234_100000230001 [0,2,0,0,0,0|2,0,0]=4 7085 B10R0.4 NC(=O)NCCOCCCF 34a_100000181757_100011934791 [0,2,0,0,0,0|2,0,0]=4 7086 B10R0.4 NC(=O)NCCOCCCO 34a_100000181757_100000230001 [0,2,0,0,0,0|2,0,0]=4 7087 B10R0.4 NC(=O)NCCSCCCF 62a_100011934791_200000034859 [0,2,0,0,0,0|2,0,0]=4 7088 B10R0.4 NC(=O)NCCSCCCF 62a_200000034859_100011934791 [0,2,0,0,0,0|2,0,0]=4 7089 B10R0.4 NC(=O)NCCSCCCO 62a_100011215043_200000034859 [0,2,0,0,0,0|2,0,0]=4 7090 B10R0.4 NC(=O)NCCSCCCO 62a_200000034859_100011215043 [0,2,0,0,0,0|2,0,0]=4 7091 B10R0.4 NC(=O)OCCNCCCF 34a_100015189416_200011214921 [0,2,0,0,0,0|2,0,0]=4 7092 B10R0.4 NC(=O)OCCOCCCBr 34a_100011217188_200011214921 [0,2,0,0,0,0|2,0,0]=4 7093 B10R0.4 NC(=O)OCCOCCCCl 34a_100000230001_200011214921 [0,2,0,0,0,0|2,0,0]=4 7094 B10R0.4 NC(=O)OCCOCCCF 34a_100000759539_200011214921 [0,2,0,0,0,0|2,0,0]=4 7095 B10R0.4 NC(=O)OCCOCCCF 7a_100000766696_100011934791 [0,2,0,0,0,0|2,0,0]=4 7096 B10R0.4 NC(=O)OCCOCCCO 7a_100000766696_100011215043 [0,2,0,0,0,0|2,0,0]=4 7097 B10R0.4 NC(=O)OCCSCCCF 62a_100011934791_200011214921 [0,2,0,0,0,0|2,0,0]=4 7098 B10R0.4 NC(=O)OCCSCCCF 62a_200011214921_100011934791 [0,2,0,0,0,0|2,0,0]=4 7099 B10R0.4 NC(=O)OCCSCCCO 62a_100011215043_200011214921 [0,2,0,0,0,0|2,0,0]=4 7100 B10R0.4 NC(=O)OCCSCCCO 62a_200011214921_100011215043 [0,2,0,0,0,0|2,0,0]=4 7101 B10R0.4 NCCCCCOCC(=O)N 34a_100000762737_100000187820 [0,2,0,0,0,0|1,0,0]=3 7102 B10R0.4 NCCCCCOCC(=O)[O-] 34a_100000762737_100020667443 [0,2,0,0,0,0|0,0,1]=3 7103 B10R0.4 NCCCCCOC[N+](=O)[O-] 34a_100000762737_100000761209 [0,2,0,0,0,0|1,0,1]=4 7104 B10R0.4 NCCCCOCCC(=O)N 34a_100000750430_100000731001 [0,2,0,0,0,0|1,0,0]=3 7105 B10R0.4 NCCCOCCCC(=O)N 34a_100000182051_100102525003 [0,2,0,0,0,0|1,0,0]=3 7106 B10R0.4 NCCCOCCOC(=O)N 34a_100000182051_200011214921 [0,2,0,0,0,0|2,0,0]=4 7107 B10R0.4 NCCOCCCCB(O)O 34a_100000210304_200009817182 [0,2,0,0,0,0|1,0,1]=4 7108 B10R0.4 NCCOCCOCC(=O)N 34a_100000210304_100000076697 [0,2,0,0,0,0|2,0,0]=4 7109 B10R0.4 NCCOCCOCC(=O)N 34a_100000211614_100000187820 [0,2,0,0,0,0|2,0,0]=4 7110 B10R0.4 NCCOCCOCC(=O)[O-] 34a_100000211614_100020667443 [0,2,0,0,0,0|1,0,1]=4 7111 B10R0.4 NOCCOCCCC(=O)N 34a_100000700252_100102525003 [0,2,0,0,0,0|2,0,0]=4 7112 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [0,2,0,0,0,0|0,0,0]=2 7113 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [0,2,0,0,0,0|0,0,0]=2 7114 B10R0.4 O=C(O)CNCCOCCO 269956a_100016091260_100011215305 [0,2,0,0,0,0|1,0,0]=3 7115 B10R0.4 O=C(O)COCCNCCF 269956a_100000700818_100011217306 [0,2,0,0,0,0|1,0,0]=3 7116 B10R0.4 O=C(O)COCCNCCO 269956a_100000700818_100000211926 [0,2,0,0,0,0|1,0,0]=3 7117 B10R0.4 O=C(O)CONCCCCF 269956a_100000106656_100000729493 [0,2,0,0,0,0|1,0,0]=3 7118 B10R0.4 O=C(O)CONCCCCO 269956a_100000106656_100000210776 [0,2,0,0,0,0|1,0,0]=3 7119 B10R0.4 O=C([O-])CCCCCOCF 7a_100102619762_100015361967 [0,2,0,0,0,0|0,0,1]=3 7120 B10R0.4 O=C([O-])CNCCCCCO 34a_100000762737_100020667443 [0,2,0,0,0,0|0,0,1]=3 7121 B10R0.4 O=C([O-])CNCCOCCO 34a_100000211614_100020667443 [0,2,0,0,0,0|1,0,1]=4 7122 B10R0.4 O=C([O-])COCCCCCBr 34a_100000746331_100020667443 [0,2,0,0,0,0|0,0,1]=3 7123 B10R0.4 O=C([O-])COCCCCCCl 34a_100000746330_100020667443 [0,2,0,0,0,0|0,0,1]=3 7124 B10R0.4 O=C([O-])COCCCCCI 34a_200012148887_100020667443 [0,2,0,0,0,0|0,0,1]=3 7125 B10R0.4 O=C([O-])COCCOCCBr 34a_100000692535_100020667443 [0,2,0,0,0,0|1,0,1]=4 7126 B10R0.4 O=C([O-])COCCOCCCl 34a_100011215305_100020667443 [0,2,0,0,0,0|1,0,1]=4 7127 B10R0.4 O=C([O-])COCCOCCF 34a_200015357709_100020667443 [0,2,0,0,0,0|1,0,1]=4 7128 B10R0.4 O=C([O-])COCCOCCI 34a_100012149058_100020667443 [0,2,0,0,0,0|1,0,1]=4 7129 B10R0.4 O=C([O-])CSCCCCCF 62a_100000729378_100020667443 [0,2,0,0,0,0|0,0,1]=3 7130 B10R0.4 O=C([O-])CSCCCCCF 62a_100020667443_100000729378 [0,2,0,0,0,0|0,0,1]=3 7131 B10R0.4 O=C([O-])CSCCCCCO 62a_100000746330_100020667443 [0,2,0,0,0,0|0,0,1]=3 7132 B10R0.4 O=C([O-])CSCCCCCO 62a_100020667443_100000746330 [0,2,0,0,0,0|0,0,1]=3 7133 B10R0.4 O=C([O-])CSCCOCCO 62a_100011215305_100020667443 [0,2,0,0,0,0|1,0,1]=4 7134 B10R0.4 O=C([O-])CSCCOCCO 62a_100020667443_100011215305 [0,2,0,0,0,0|1,0,1]=4 7135 B10R0.4 O=CCCCCNCC(=O)O 269956a_100016091260_100000139335 [0,2,0,0,0,0|0,0,1]=3 7136 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100000139335_100020667443 [0,2,0,0,0,0|0,0,2]=4 7137 B10R0.4 O=CCCCCSCC(=O)[O-] 62a_100020667443_100000139335 [0,2,0,0,0,0|0,0,2]=4 7138 B10R0.4 O=CCCCNOCC(=O)O 269956a_100000106656_200011292268 [0,2,0,0,0,0|1,0,1]=4 7139 B10R0.4 O=CCNCCOCC(=O)O 269956a_100000700818_200015260668 [0,2,0,0,0,0|1,0,1]=4 7140 B10R0.4 O=[N+]([O-])CCCCOCCF 34a_200015379883_100011217306 [0,2,0,0,0,0|1,0,1]=4 7141 B10R0.4 O=[N+]([O-])CCCCOCCF 7a_200015379883_100011217306 [0,2,0,0,0,0|1,0,1]=4 7142 B10R0.4 O=[N+]([O-])CCCCOCCO 34a_200015379883_100000211926 [0,2,0,0,0,0|1,0,1]=4 7143 B10R0.4 O=[N+]([O-])CCCCOCCO 7a_200015379883_100000211926 [0,2,0,0,0,0|1,0,1]=4 7144 B10R0.4 O=[N+]([O-])CCCOCCCF 34a_200000037920_100011934791 [0,2,0,0,0,0|1,0,1]=4 7145 B10R0.4 O=[N+]([O-])CCCOCCCO 34a_200000037920_100000230001 [0,2,0,0,0,0|1,0,1]=4 7146 B10R0.4 O=[N+]([O-])CNCCCCCO 34a_100000762737_100000761209 [0,2,0,0,0,0|1,0,1]=4 7147 B10R0.4 O=[N+]([O-])COCCCCCBr 34a_100000746331_100000761209 [0,2,0,0,0,0|1,0,1]=4 7148 B10R0.4 O=[N+]([O-])COCCCCCCl 34a_100000746330_100000761209 [0,2,0,0,0,0|1,0,1]=4 7149 B10R0.4 O=[N+]([O-])COCCCCCI 34a_200012148887_100000761209 [0,2,0,0,0,0|1,0,1]=4 7150 B10R0.4 O=[N+]([O-])CSCCCCCF 62a_100000729378_100000761209 [0,2,0,0,0,0|1,0,1]=4 7151 B10R0.4 O=[N+]([O-])CSCCCCCO 62a_100000746330_100000761209 [0,2,0,0,0,0|1,0,1]=4 7152 B10R0.4 OB(O)CCCCCSCF 62a_100015361967_200009817188 [0,2,0,0,0,0|1,0,1]=4 7153 B10R0.4 OB(O)CCCCCSCF 62a_200009817188_100015361967 [0,2,0,0,0,0|1,0,1]=4 7154 B10R0.4 OB(O)CCCCNCCF 34a_100000724931_200009817182 [0,2,0,0,0,0|1,0,1]=4 7155 B10R0.4 OB(O)CCCCOCCBr 34a_100000211926_200009817182 [0,2,0,0,0,0|1,0,1]=4 7156 B10R0.4 OB(O)CCCCSCCF 62a_100011217306_200009817182 [0,2,0,0,0,0|1,0,1]=4 7157 B10R0.4 OB(O)CCCCSCCF 62a_200009817182_100011217306 [0,2,0,0,0,0|1,0,1]=4 7158 B10R0.4 OCCNCCCCB(O)O 2230a_100016997473_200009817182 [0,2,0,0,0,0|1,0,1]=4 7159 B10R0.4 OCCNCCCCB(O)O 34a_100016990907_200009817182 [0,2,0,0,0,0|1,0,1]=4 7160 B10R0.4 OCCSCCCCB(O)O 62a_100000211926_200009817182 [0,2,0,0,0,0|1,0,1]=4 7161 B10R0.4 OCCSCCCCB(O)O 62a_200009817182_100000211926 [0,2,0,0,0,0|1,0,1]=4 7162 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [0,2,0,0,0,0|1,0,0]=3 7163 B10R0.4 [13CH3]C(=O)CCCCCN=[N+]=[N-] 1458a_100009870042_200025704644 [0,2,0,0,0,0|2,0,0]=4 7164 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,2,0,0,0,0|2,0,0]=4 7165 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_100009817187_200025704644 [0,2,0,0,0,0|1,0,1]=4 7166 B10R0.4 [13CH3]SCCCCCCB(O)O 62a_200025704644_100009817187 [0,2,0,0,0,0|1,0,1]=4 7167 B10R0.6 C#CCCCN(C)CC(=O)O 269956a_100000746989_100011215417 [0,2,0,0,0,0|0,0,2]=4 7168 B10R0.6 C#CCNCC(O)CC(=O)O 269956a_100011218706_100000184674 [0,2,0,0,0,0|0,0,2]=4 7169 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,2,0,0,0,0|2,0,0]=4 7170 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [0,2,0,0,0,0|2,0,0]=4 7171 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [0,2,0,0,0,0|2,0,0]=4 7172 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [0,2,0,0,0,0|2,0,0]=4 7173 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [0,2,0,0,0,0|2,0,0]=4 7174 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,2,0,0,0,0|2,0,0]=4 7175 B10R0.6 C=C(F)CN(C)CCCCC 2230a_100000223495_100009893438 [0,2,0,0,0,0|2,0,0]=4 7176 B10R0.6 C=C(F)CN(C)CCCCC 269982a_100000223495_100009893438 [0,2,0,0,0,0|2,0,0]=4 7177 B10R0.6 C=CCCCN(C)CC(=O)O 269956a_100000746989_100011713584 [0,2,0,0,0,0|0,0,2]=4 7178 B10R0.6 C=CCNCC(O)CC(=O)O 269956a_100011218706_100000210623 [0,2,0,0,0,0|0,0,2]=4 7179 B10R0.6 CC/C=C\CN(C)CC(=O)O 269956a_100000746989_100103147603 [0,2,0,0,0,0|0,0,2]=4 7180 B10R0.6 CCC#CCN(C)CC(=O)O 269956a_100000746989_100009813939 [0,2,0,0,0,0|0,0,2]=4 7181 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,2,0,0,0,0|1,0,0]=3 7182 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,2,0,0,0,0|1,0,0]=3 7183 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,2,0,0,0,0|1,0,0]=3 7184 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,2,0,0,0,0|0,0,1]=3 7185 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,2,0,0,0,0|1,0,1]=4 7186 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,2,0,0,0,0|1,0,1]=4 7187 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [0,2,0,0,0,0|1,0,1]=4 7188 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,2,0,0,0,0|1,0,0]=3 7189 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,2,0,0,0,0|1,0,0]=3 7190 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,2,0,0,0,0|1,0,0]=3 7191 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,2,0,0,0,0|1,0,0]=3 7192 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [0,2,0,0,0,0|1,0,0]=3 7193 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [0,2,0,0,0,0|1,0,0]=3 7194 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [0,2,0,0,0,0|1,0,0]=3 7195 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [0,2,0,0,0,0|0,0,0]=2 7196 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [0,2,0,0,0,0|0,0,1]=3 7197 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [0,2,0,0,0,0|1,0,1]=4 7198 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [0,2,0,0,0,0|1,0,1]=4 7199 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [0,2,0,0,0,0|1,0,1]=4 7200 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [0,2,0,0,0,0|1,0,1]=4 7201 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [0,2,0,0,0,0|1,0,1]=4 7202 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [0,2,0,0,0,0|1,0,1]=4 7203 B10R0.6 CCCCCN(C)C[N+](=O)[O-] 269982a_100000223495_100000761209 [0,2,0,0,0,0|1,0,1]=4 7204 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,2,0,0,0,0|1,0,1]=4 7205 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [0,2,0,0,0,0|1,0,1]=4 7206 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [0,2,0,0,0,0|1,0,1]=4 7207 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,2,0,0,0,0|1,0,1]=4 7208 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,2,0,0,0,0|2,0,0]=4 7209 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,2,0,0,0,0|2,0,0]=4 7210 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [0,2,0,0,0,0|0,0,0]=2 7211 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [0,2,0,0,0,0|1,0,1]=4 7212 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [0,2,0,0,0,0|0,0,2]=4 7213 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [0,2,0,0,0,0|1,0,1]=4 7214 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [0,2,0,0,0,0|0,0,2]=4 7215 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [0,2,0,0,0,0|1,0,1]=4 7216 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [0,2,0,0,0,0|1,0,1]=4 7217 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [0,2,0,0,0,0|0,0,2]=4 7218 B10R0.6 CCOCCN(C)CC(=O)N 2230a_100000739694_100011215890 [0,2,0,0,0,0|2,0,0]=4 7219 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [0,2,0,0,0,0|1,0,0]=3 7220 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [0,2,0,0,0,0|1,0,1]=4 7221 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [0,2,0,0,0,0|1,0,1]=4 7222 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [0,2,0,0,0,0|0,0,2]=4 7223 B10R0.6 CCSCCN(C)CC(=O)N 2230a_100000739694_100000757381 [0,2,0,0,0,0|2,0,0]=4 7224 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [0,2,0,0,0,0|1,0,0]=3 7225 B10R0.6 CN(CCCC#N)CC(=O)O 269956a_100000746989_100000687738 [0,2,0,0,0,0|1,0,1]=4 7226 B10R0.6 CN(CCCC=O)CC(=O)O 269956a_100000746989_200011292268 [0,2,0,0,0,0|1,0,1]=4 7227 B10R0.6 CN(CCCCF)CC(=O)N 2230a_100000739694_100000729493 [0,2,0,0,0,0|2,0,0]=4 7228 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [0,2,0,0,0,0|1,0,0]=3 7229 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000717598_100000747473 [0,2,0,0,0,0|2,0,0]=4 7230 B10R0.6 CN(CCCCO)CC(=O)N 2230a_100000739694_100000210776 [0,2,0,0,0,0|2,0,0]=4 7231 B10R0.6 CN(CCCCO)CC(=O)N 269982a_100000717598_100000187820 [0,2,0,0,0,0|2,0,0]=4 7232 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [0,2,0,0,0,0|1,0,0]=3 7233 B10R0.6 CN(CCCCO)CC(=O)[O-] 269982a_100000717598_100020667443 [0,2,0,0,0,0|1,0,1]=4 7234 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [0,2,0,0,0,0|1,0,1]=4 7235 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [0,2,0,0,0,0|1,0,1]=4 7236 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [0,2,0,0,0,0|0,0,2]=4 7237 B10R0.6 COCCCN(C)CC(=O)N 2230a_100000224831_100000747473 [0,2,0,0,0,0|2,0,0]=4 7238 B10R0.6 COCCCN(C)CC(=O)N 2230a_100000739694_100000740836 [0,2,0,0,0,0|2,0,0]=4 7239 B10R0.6 COCCCN(C)CC(=O)N 269982a_100000224831_100000187820 [0,2,0,0,0,0|2,0,0]=4 7240 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [0,2,0,0,0,0|1,0,0]=3 7241 B10R0.6 COCCCN(C)CC(=O)[O-] 269982a_100000224831_100020667443 [0,2,0,0,0,0|1,0,1]=4 7242 B10R0.6 COCNCC(O)CC(=O)O 269956a_100011218706_100000766300 [0,2,0,0,0,0|1,0,0]=3 7243 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,2,0,0,0,0|1,0,1]=4 7244 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,2,0,0,0,0|0,0,2]=4 7245 B10R0.6 CSCNCC(O)CC(=O)O 269956a_100011218706_100011218213 [0,2,0,0,0,0|1,0,0]=3 7246 B10R0.6 N#CCNCC(O)CC(=O)O 269956a_100011218706_100011215382 [0,2,0,0,0,0|1,0,1]=4 7247 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [0,2,0,0,0,0|1,0,1]=4 7248 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,2,0,0,0,0|1,0,1]=4 7249 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,2,0,0,0,0|1,0,1]=4 7250 B10R0.6 O=C(O)CC(O)CNCCF 269956a_100011218706_100011217306 [0,2,0,0,0,0|1,0,0]=3 7251 B10R0.6 O=C(O)CC(O)CNCCO 269956a_100011218706_100000211926 [0,2,0,0,0,0|1,0,0]=3 7252 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,2,0,0,0,0|0,0,2]=4 7253 B10R0.6 O=CCNCC(O)CC(=O)O 269956a_100011218706_200015260668 [0,2,0,0,0,0|1,0,1]=4 7254 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_100010402123_200025704644 [0,2,0,0,0,0|1,0,1]=4 7255 B10R0.22 CC(C)(O)CCCCCS[13CH3] 62a_200025704644_100010402123 [0,2,0,0,0,0|1,0,1]=4 7256 B10R0.22 CCCCCCNS(=O)(=O)C 40a_100000210581_100000738038 [0,2,0,0,0,0|1,0,1]=4 7257 B10R0.22 CCCCCNCC(C)(C)O 2230a_100000751335_100000210326 [0,2,0,0,0,0|1,0,1]=4 7258 B10R0.22 CCCCCOCC(C)(C)O 34a_100000210253_100000764493 [0,2,0,0,0,0|1,0,1]=4 7259 B10R0.22 CCCCCOCC(C)(C)O 7a_100000210253_100000764493 [0,2,0,0,0,0|1,0,1]=4 7260 B10R0.22 CCCCCOCS(=O)(=O)[O-] 34a_100000210253_100009817235 [0,2,0,0,0,0|1,0,1]=4 7261 B10R0.22 CCCCCSCC(C)(C)O 62a_100000210326_100000764493 [0,2,0,0,0,0|1,0,1]=4 7262 B10R0.22 CCCCCSCC(C)(C)O 62a_100000764493_100000210326 [0,2,0,0,0,0|1,0,1]=4 7263 B10R0.22 CCCCCSCS(=O)(=O)N 62a_100000210326_100000741382 [0,2,0,0,0,0|1,0,1]=4 7264 B10R0.22 CCCCCSCS(=O)(=O)N 62a_100000741382_100000210326 [0,2,0,0,0,0|1,0,1]=4 7265 B10R0.22 CCCCCSCS(=O)(=O)[O-] 62a_100000210326_100009817235 [0,2,0,0,0,0|1,0,1]=4 7266 B10R0.22 CCCCCSCS(=O)(=O)[O-] 62a_100009817235_100000210326 [0,2,0,0,0,0|1,0,1]=4 7267 B10R0.22 CCCCNCCC(C)(C)O 2230a_100000102301_100000702414 [0,2,0,0,0,0|1,0,1]=4 7268 B10R0.22 CCCCNCCC(C)(C)O 7a_106832991798_100000702414 [0,2,0,0,0,0|1,0,1]=4 7269 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000102301_100000731031 [0,2,0,0,0,0|1,0,1]=4 7270 B10R0.22 CCCCNCCS(=O)(=O)C 2230a_100000740961_100000210211 [0,2,0,0,0,0|1,0,1]=4 7271 B10R0.22 CCCCNCCS(=O)(=O)C 34a_100000740961_100000210210 [0,2,0,0,0,0|1,0,1]=4 7272 B10R0.22 CCCCNCCS(=O)(=O)C 7a_106832991798_100000230027 [0,2,0,0,0,0|1,0,1]=4 7273 B10R0.22 CCCCNCCS(=O)(=O)N 2230a_100000738205_100000210211 [0,2,0,0,0,0|1,0,1]=4 7274 B10R0.22 CCCCNCCS(=O)(=O)N 34a_100000738205_100000210210 [0,2,0,0,0,0|1,0,1]=4 7275 B10R0.22 CCCCNCCS(=O)(=O)[O-] 2230a_100000102301_100000737633 [0,2,0,0,0,0|1,0,1]=4 7276 B10R0.22 CCCCOCCC(C)(C)O 34a_100000210227_100000702414 [0,2,0,0,0,0|1,0,1]=4 7277 B10R0.22 CCCCOCCC(C)(C)O 7a_100000210227_100000702414 [0,2,0,0,0,0|1,0,1]=4 7278 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000210227_100000731031 [0,2,0,0,0,0|1,0,1]=4 7279 B10R0.22 CCCCOCCS(=O)(=O)C 34a_100000211924_100000210210 [0,2,0,0,0,0|1,0,1]=4 7280 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000210227_100000230027 [0,2,0,0,0,0|1,0,1]=4 7281 B10R0.22 CCCCOCCS(=O)(=O)C 7a_100000211924_100000210211 [0,2,0,0,0,0|1,0,1]=4 7282 B10R0.22 CCCCOCCS(=O)(=O)N 34a_100012334274_100000210210 [0,2,0,0,0,0|1,0,1]=4 7283 B10R0.22 CCCCOCCS(=O)(=O)[O-] 34a_100000210227_100000762736 [0,2,0,0,0,0|1,0,1]=4 7284 B10R0.22 CCCCSCCC(C)(C)O 62a_100000210211_100000702414 [0,2,0,0,0,0|1,0,1]=4 7285 B10R0.22 CCCCSCCC(C)(C)O 62a_100000702414_100000210210 [0,2,0,0,0,0|1,0,1]=4 7286 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000210211_100000230027 [0,2,0,0,0,0|1,0,1]=4 7287 B10R0.22 CCCCSCCS(=O)(=O)C 62a_100000731031_100000210210 [0,2,0,0,0,0|1,0,1]=4 7288 B10R0.22 CCCCSCCS(=O)(=O)[O-] 62a_100000210211_100000762736 [0,2,0,0,0,0|1,0,1]=4 7289 B10R0.22 CCCCSCCS(=O)(=O)[O-] 62a_100000762736_100000210210 [0,2,0,0,0,0|1,0,1]=4 7290 B10R0.22 CCCNCCCS(=O)(=O)C 2230a_100000742409_100000210303 [0,2,0,0,0,0|1,0,1]=4 7291 B10R0.22 CCCNCCCS(=O)(=O)C 34a_100000742409_100000210303 [0,2,0,0,0,0|1,0,1]=4 7292 B10R0.22 CCCOCCCC(C)(C)O 34a_100000210258_100009888830 [0,2,0,0,0,0|1,0,1]=4 7293 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000210258_100000754308 [0,2,0,0,0,0|1,0,1]=4 7294 B10R0.22 CCCOCCCS(=O)(=O)C 34a_100000689940_100000210303 [0,2,0,0,0,0|1,0,1]=4 7295 B10R0.22 CCCOCCCS(=O)(=O)C 7a_100000689940_100000210303 [0,2,0,0,0,0|1,0,1]=4 7296 B10R0.22 CCCOCCCS(=O)(=O)N 34a_100000210258_100000750626 [0,2,0,0,0,0|1,0,1]=4 7297 B10R0.22 CCCOCCCS(=O)(=O)[O-] 34a_100000210258_100009813499 [0,2,0,0,0,0|1,0,1]=4 7298 B10R0.22 CCCSCCCC(C)(C)O 62a_100000210303_100009888830 [0,2,0,0,0,0|1,0,1]=4 7299 B10R0.22 CCCSCCCC(C)(C)O 62a_100009888830_100000210303 [0,2,0,0,0,0|1,0,1]=4 7300 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000210303_100000754308 [0,2,0,0,0,0|1,0,1]=4 7301 B10R0.22 CCCSCCCS(=O)(=O)C 62a_100000754308_100000210303 [0,2,0,0,0,0|1,0,1]=4 7302 B10R0.22 CCCSCCCS(=O)(=O)N 62a_100000210303_100000750626 [0,2,0,0,0,0|1,0,1]=4 7303 B10R0.22 CCCSCCCS(=O)(=O)N 62a_100000750626_100000210303 [0,2,0,0,0,0|1,0,1]=4 7304 B10R0.22 CCCSCCCS(=O)(=O)[O-] 62a_100000210303_100009813499 [0,2,0,0,0,0|1,0,1]=4 7305 B10R0.22 CCCSCCCS(=O)(=O)[O-] 62a_100009813499_100000210303 [0,2,0,0,0,0|1,0,1]=4 7306 B10R0.22 CNCCCCCC(C)(C)O 2230a_106832991635_100010402123 [0,2,0,0,0,0|1,0,1]=4 7307 B10R0.22 CNCCCCCC(C)(C)O 34a_100102657272_100010402123 [0,2,0,0,0,0|1,0,1]=4 7308 B10R0.22 CNCCCCCC(C)(C)O 7a_106832991635_100010402123 [0,2,0,0,0,0|1,0,1]=4 7309 B10R0.22 COCCCCCC(C)(C)O 34a_100138415774_100010402123 [0,2,0,0,0,0|1,0,1]=4 7310 B10R0.22 CSCCCCCC(C)(C)O 62a_100010402123_200000210301 [0,2,0,0,0,0|1,0,1]=4 7311 B10R0.22 CSCCCCCC(C)(C)O 62a_200000210301_100010402123 [0,2,0,0,0,0|1,0,1]=4 7312 B10R0.55 C#CC(=O)CCCCC(=O)C 1458a_100000211873_100000735457 [0,2,0,0,0,0|1,0,1]=4 7313 B10R0.55 C#CC(=O)CCCCC(C)C 1458a_100000211873_100011216152 [0,2,0,0,0,0|1,0,0]=3 7314 B10R0.55 C#CC(C)NCCCC(=O)C 34a_100000707721_100000685027 [0,2,0,0,0,0|2,0,0]=4 7315 B10R0.55 C#CC(C)NCCCC(=O)N 34a_100000707721_100102525003 [0,2,0,0,0,0|2,0,0]=4 7316 B10R0.55 C#CC(C)NCCCC(=O)N 34a_100000739312_200000035995 [0,2,0,0,0,0|2,0,0]=4 7317 B10R0.55 C#CC(C)OCCCC(=O)C 34a_100000759063_200000035995 [0,2,0,0,0,0|2,0,0]=4 7318 B10R0.55 C#CC(C)SCCCC(=O)C 62a_200000035995_100011215641 [0,2,0,0,0,0|2,0,0]=4 7319 B10R0.55 C#CC(C)SCCCC(=O)N 62a_200000035995_100102525003 [0,2,0,0,0,0|2,0,0]=4 7320 B10R0.55 C#C[C@@H](C)OCCCC(=O)C 34a_100009815206_100000685027 [0,2,0,0,0,0|2,0,0]=4 7321 B10R0.55 C#C[C@@H](C)OCCCC(=O)C 7a_100009815206_100011215641 [0,2,0,0,0,0|2,0,0]=4 7322 B10R0.55 C#C[C@@H](C)OCCCC(=O)N 34a_100009815206_100102525003 [0,2,0,0,0,0|2,0,0]=4 7323 B10R0.55 C#C[C@@H](C)OCCCC(=O)N 7a_100009815206_100102525003 [0,2,0,0,0,0|2,0,0]=4 7324 B10R0.55 C=C(Br)CCOCC(C)CC 34a_100009813270_100000748023 [0,2,0,0,0,0|2,0,0]=4 7325 B10R0.55 C=C(Br)CCOCC(O)CC 34a_100009813270_100011218378 [0,2,0,0,0,0|2,0,0]=4 7326 B10R0.55 C=C(Br)CCOC[C@@H](C)CC 34a_100009813270_100009816398 [0,2,0,0,0,0|2,0,0]=4 7327 B10R0.55 C=C(C)CCNCC(C)CC 2230a_100020588543_100000730704 [0,2,0,0,0,0|2,0,0]=4 7328 B10R0.55 C=C(C)CCNCC(O)CC 2230a_100011218483_100000730704 [0,2,0,0,0,0|2,0,0]=4 7329 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [0,2,0,0,0,0|1,0,1]=4 7330 B10R0.55 C=C(C)CCOCC(C)CC 34a_100000764851_100000748023 [0,2,0,0,0,0|2,0,0]=4 7331 B10R0.55 C=C(C)CCOCC(O)CC 34a_100000764851_100011218378 [0,2,0,0,0,0|2,0,0]=4 7332 B10R0.55 C=C(C)CCOC[C@@H](C)CC 34a_100000764851_100009816398 [0,2,0,0,0,0|2,0,0]=4 7333 B10R0.55 C=C(C)CCOC[C@@H](C)CC 7a_100009816381_100000730704 [0,2,0,0,0,0|2,0,0]=4 7334 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000730704_100000747449 [0,2,0,0,0,0|1,0,1]=4 7335 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000747449_100000730704 [0,2,0,0,0,0|1,0,1]=4 7336 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000730704_100000748023 [0,2,0,0,0,0|2,0,0]=4 7337 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000748023_100000730704 [0,2,0,0,0,0|2,0,0]=4 7338 B10R0.55 C=C(C)CCSCC(O)CC 62a_100000730704_100011218378 [0,2,0,0,0,0|2,0,0]=4 7339 B10R0.55 C=C(C)CCSCC(O)CC 62a_100011218378_100000730704 [0,2,0,0,0,0|2,0,0]=4 7340 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100000730704_100009816398 [0,2,0,0,0,0|2,0,0]=4 7341 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100009816398_100000730704 [0,2,0,0,0,0|2,0,0]=4 7342 B10R0.55 C=C(C)CNCCC(C)CC 2230a_100020591266_100000748629 [0,2,0,0,0,0|2,0,0]=4 7343 B10R0.55 C=C(C)COCCC(=O)OC 34a_100000210245_100000742370 [0,2,0,0,0,0|1,0,1]=4 7344 B10R0.55 C=C(C)COCCC(C)CC 7a_100011215188_100000748629 [0,2,0,0,0,0|2,0,0]=4 7345 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000204255_100000211660 [0,2,0,0,0,0|1,0,1]=4 7346 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000748629_100000204255 [0,2,0,0,0,0|1,0,1]=4 7347 B10R0.55 C=C(F)CNCCC(C)CC 2230a_100020591266_100009893438 [0,2,0,0,0,0|2,0,0]=4 7348 B10R0.55 C=C(F)COCCC(C)CC 7a_100011215188_100000042424 [0,2,0,0,0,0|2,0,0]=4 7349 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [0,2,0,0,0,0|1,0,1]=4 7350 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [0,2,0,0,0,0|1,0,0]=3 7351 B10R0.55 C=CC(=O)NCCCC(C)C 1626a_200000737386_100000185746 [0,2,0,0,0,0|2,0,0]=4 7352 B10R0.55 C=CC(=O)NCCCC(C)C 240690a_200000737386_200121576911 [0,2,0,0,0,0|2,0,0]=4 7353 B10R0.55 C=CC(C)COCCC(=O)C 7a_100011215527_100000053229 [0,2,0,0,0,0|2,0,0]=4 7354 B10R0.55 C=CC(C)COCCC(=O)N 34a_100011215527_100000731001 [0,2,0,0,0,0|2,0,0]=4 7355 B10R0.55 C=CC(C)COCCC(=O)N 7a_100011215527_100000744528 [0,2,0,0,0,0|2,0,0]=4 7356 B10R0.55 C=CC(C)OCCCC(=O)C 34a_100000695699_100000685027 [0,2,0,0,0,0|2,0,0]=4 7357 B10R0.55 C=CC(C)OCCCC(=O)N 34a_100000695699_100102525003 [0,2,0,0,0,0|2,0,0]=4 7358 B10R0.55 C=CC(C)SCCCC(=O)C 62a_100011215867_100011215641 [0,2,0,0,0,0|2,0,0]=4 7359 B10R0.55 C=CC(C)SCCCC(=O)N 62a_100011215867_100102525003 [0,2,0,0,0,0|2,0,0]=4 7360 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,2,0,0,0,0|0,0,1]=3 7361 B10R0.55 CC(=O)CCCOC(C)C#N 34a_100011218135_100000685027 [0,2,0,0,0,0|2,0,0]=4 7362 B10R0.55 CC(=O)CCCOC(C)C#N 7a_100000759063_100000703298 [0,2,0,0,0,0|2,0,0]=4 7363 B10R0.55 CC(=O)CCCOC(C)CF 34a_100016041109_100000685027 [0,2,0,0,0,0|2,0,0]=4 7364 B10R0.55 CC(=O)CCCOC(C)CF 7a_100016041109_100011215641 [0,2,0,0,0,0|2,0,0]=4 7365 B10R0.55 CC(=O)CCCOC(C)CN 34a_100000210904_100000685027 [0,2,0,0,0,0|2,0,0]=4 7366 B10R0.55 CC(=O)CCCOC(C)CO 34a_100000759063_100012180447 [0,2,0,0,0,0|2,0,0]=4 7367 B10R0.55 CC(=O)CCCOC(C)CO 7a_100000759063_100012180447 [0,2,0,0,0,0|2,0,0]=4 7368 B10R0.55 CC(=O)CCCSC(C)C#N 62a_100000703298_100011215641 [0,2,0,0,0,0|2,0,0]=4 7369 B10R0.55 CC(=O)CCCSC(C)C#N 62a_100011215641_100000703298 [0,2,0,0,0,0|2,0,0]=4 7370 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [0,2,0,0,0,0|2,0,0]=4 7371 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [0,2,0,0,0,0|2,0,0]=4 7372 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [0,2,0,0,0,0|2,0,0]=4 7373 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [0,2,0,0,0,0|2,0,0]=4 7374 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [0,2,0,0,0,0|2,0,0]=4 7375 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [0,2,0,0,0,0|2,0,0]=4 7376 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [0,2,0,0,0,0|2,0,0]=4 7377 B10R0.55 CC(=O)CCOC[C@@H](O)CF 34a_100000759926_100015614560 [0,2,0,0,0,0|2,0,0]=4 7378 B10R0.55 CC(=O)CCOC[C@@H](O)CF 7a_100000759926_100015614560 [0,2,0,0,0,0|2,0,0]=4 7379 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [0,2,0,0,0,0|2,0,0]=4 7380 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [0,2,0,0,0,0|2,0,0]=4 7381 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [0,2,0,0,0,0|2,0,0]=4 7382 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [0,2,0,0,0,0|2,0,0]=4 7383 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [0,2,0,0,0,0|2,0,0]=4 7384 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [0,2,0,0,0,0|2,0,0]=4 7385 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100000053229_100015614560 [0,2,0,0,0,0|2,0,0]=4 7386 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000053229 [0,2,0,0,0,0|2,0,0]=4 7387 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [0,2,0,0,0,0|2,0,0]=4 7388 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [0,2,0,0,0,0|2,0,0]=4 7389 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,2,0,0,0,0|1,0,1]=4 7390 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,2,0,0,0,0|1,0,1]=4 7391 B10R0.55 CC(=S)OCCCC(=O)CO 1458a_100000210174_200135323944 [0,2,0,0,0,0|1,0,1]=4 7392 B10R0.55 CC(C#N)OCCCC(=O)N 34a_100011218135_100102525003 [0,2,0,0,0,0|2,0,0]=4 7393 B10R0.55 CC(C#N)SCCCC(=O)N 62a_100000703298_100102525003 [0,2,0,0,0,0|2,0,0]=4 7394 B10R0.55 CC(C#N)SCCCC(=O)N 62a_100102525003_100000703298 [0,2,0,0,0,0|2,0,0]=4 7395 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,2,0,0,0,0|1,0,0]=3 7396 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,2,0,0,0,0|0,0,0]=2 7397 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [0,2,0,0,0,0|1,0,0]=3 7398 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [0,2,0,0,0,0|1,0,0]=3 7399 B10R0.55 CC(C)COCCC(=NO)N 34a_100000749954_100000210624 [0,2,0,0,0,0|2,0,0]=4 7400 B10R0.55 CC(C)OCCCC(=O)NN 34a_100000211488_100000210206 [0,2,0,0,0,0|2,0,0]=4 7401 B10R0.55 CC(C)OCCNC(=O)CO 240690a_100000701111_100000210174 [0,2,0,0,0,0|2,0,0]=4 7402 B10R0.55 CC(C)OCCNC(=O)CO 527a_100000701111_100000210174 [0,2,0,0,0,0|2,0,0]=4 7403 B10R0.55 CC(C)SCCNC(=O)CO 240690a_100000731138_100000210174 [0,2,0,0,0,0|2,0,0]=4 7404 B10R0.55 CC(C)SCCNC(=O)CO 527a_100000731138_100000210174 [0,2,0,0,0,0|2,0,0]=4 7405 B10R0.55 CC(CF)OCCCC(=O)N 34a_100016041109_100102525003 [0,2,0,0,0,0|2,0,0]=4 7406 B10R0.55 CC(CF)OCCCC(=O)N 7a_100016041109_100102525003 [0,2,0,0,0,0|2,0,0]=4 7407 B10R0.55 CC(CN)COCCC(=O)N 34a_100000744482_100000731001 [0,2,0,0,0,0|2,0,0]=4 7408 B10R0.55 CC(CN)OCCCC(=O)N 34a_100000210904_100102525003 [0,2,0,0,0,0|2,0,0]=4 7409 B10R0.55 CC(CO)CCNCC(=O)N 2230a_106354213184_100000747473 [0,2,0,0,0,0|2,0,0]=4 7410 B10R0.55 CC(CO)CCNCC(=O)N 34a_106354213184_100000187820 [0,2,0,0,0,0|2,0,0]=4 7411 B10R0.55 CC(CO)CCNCC(=O)[O-] 34a_106354213184_100020667443 [0,2,0,0,0,0|1,0,1]=4 7412 B10R0.55 CC(CO)CNCCC(=O)N 34a_100000744482_100000731001 [0,2,0,0,0,0|2,0,0]=4 7413 B10R0.55 CC(CO)NCCCC(=O)N 34a_100000739312_100012180447 [0,2,0,0,0,0|2,0,0]=4 7414 B10R0.55 CC(CO)SCCCC(=O)N 62a_100012180447_100102525003 [0,2,0,0,0,0|2,0,0]=4 7415 B10R0.55 CC(O)COCCC(=NO)N 34a_100000749954_100011218427 [0,2,0,0,0,0|2,0,0]=4 7416 B10R0.55 CCC(=O)CCCCB(O)O 1458a_100000210414_200009817182 [0,2,0,0,0,0|1,0,1]=4 7417 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,2,0,0,0,0|1,0,0]=3 7418 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,2,0,0,0,0|1,0,0]=3 7419 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,2,0,0,0,0|1,0,0]=3 7420 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,2,0,0,0,0|1,0,1]=4 7421 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,2,0,0,0,0|1,0,1]=4 7422 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,2,0,0,0,0|1,0,1]=4 7423 B10R0.55 CCC(=O)CCOCC(=O)N 1458a_100000210414_100000076697 [0,2,0,0,0,0|1,0,1]=4 7424 B10R0.55 CCC(=O)CCSCC(=O)N 1458a_100000148550_100000210202 [0,2,0,0,0,0|1,0,1]=4 7425 B10R0.55 CCC(=O)CNOCC(=O)O 269956a_100000106656_100000747405 [0,2,0,0,0,0|1,0,1]=4 7426 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,2,0,0,0,0|1,0,1]=4 7427 B10R0.55 CCC(=O)COCCC(=O)N 34a_100000725409_100000731001 [0,2,0,0,0,0|1,0,1]=4 7428 B10R0.55 CCC(=O)COCCC(=O)N 7a_100000757172_100000747405 [0,2,0,0,0,0|1,0,1]=4 7429 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [0,2,0,0,0,0|2,0,0]=4 7430 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [0,2,0,0,0,0|2,0,0]=4 7431 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,2,0,0,0,0|2,0,0]=4 7432 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000053229_100000747405 [0,2,0,0,0,0|1,0,1]=4 7433 B10R0.55 CCC(=O)CSCCC(=O)C 62a_100000747405_100000053229 [0,2,0,0,0,0|1,0,1]=4 7434 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000744528_100000747405 [0,2,0,0,0,0|1,0,1]=4 7435 B10R0.55 CCC(=O)CSCCC(=O)N 62a_100000747405_100000744528 [0,2,0,0,0,0|1,0,1]=4 7436 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [0,2,0,0,0,0|2,0,0]=4 7437 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [0,2,0,0,0,0|2,0,0]=4 7438 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,2,0,0,0,0|2,0,0]=4 7439 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,2,0,0,0,0|2,0,0]=4 7440 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [0,2,0,0,0,0|1,0,1]=4 7441 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [0,2,0,0,0,0|1,0,1]=4 7442 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [0,2,0,0,0,0|2,0,0]=4 7443 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [0,2,0,0,0,0|2,0,0]=4 7444 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [0,2,0,0,0,0|2,0,0]=4 7445 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [0,2,0,0,0,0|2,0,0]=4 7446 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [0,2,0,0,0,0|1,0,0]=3 7447 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [0,2,0,0,0,0|1,0,1]=4 7448 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [0,2,0,0,0,0|1,0,1]=4 7449 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [0,2,0,0,0,0|1,0,0]=3 7450 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [0,2,0,0,0,0|1,0,1]=4 7451 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [0,2,0,0,0,0|1,0,1]=4 7452 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [0,2,0,0,0,0|1,0,0]=3 7453 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [0,2,0,0,0,0|1,0,1]=4 7454 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [0,2,0,0,0,0|1,0,1]=4 7455 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [0,2,0,0,0,0|1,0,1]=4 7456 B10R0.55 CCC(C)CNOCC(=O)O 269956a_100000106656_100000748023 [0,2,0,0,0,0|1,0,0]=3 7457 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,2,0,0,0,0|1,0,0]=3 7458 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,2,0,0,0,0|1,0,0]=3 7459 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [0,2,0,0,0,0|1,0,0]=3 7460 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [0,2,0,0,0,0|1,0,0]=3 7461 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,2,0,0,0,0|1,0,0]=3 7462 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,2,0,0,0,0|1,0,0]=3 7463 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [0,2,0,0,0,0|1,0,0]=3 7464 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [0,2,0,0,0,0|1,0,0]=3 7465 B10R0.55 CCC(C)CSCCC(C)O 62a_100000748023_100012276601 [0,2,0,0,0,0|1,0,1]=4 7466 B10R0.55 CCC(C)CSCCC(C)O 62a_100012276601_100000748023 [0,2,0,0,0,0|1,0,1]=4 7467 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [0,2,0,0,0,0|2,0,0]=4 7468 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [0,2,0,0,0,0|2,0,0]=4 7469 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [0,2,0,0,0,0|1,0,0]=3 7470 B10R0.55 CCC(C)NCCCC(C)O 2230a_100000209981_200000718107 [0,2,0,0,0,0|1,0,1]=4 7471 B10R0.55 CCC(C)NCCCS(=O)C 2230a_200000753449_100000758301 [0,2,0,0,0,0|2,0,0]=4 7472 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [0,2,0,0,0,0|2,0,0]=4 7473 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [0,2,0,0,0,0|2,0,0]=4 7474 B10R0.55 CCC(C)NCCNC(=O)N 2230a_100000209981_200000034859 [0,2,0,0,0,0|2,0,0]=4 7475 B10R0.55 CCC(C)NCCNC(=O)N 34a_100020590234_100011215416 [0,2,0,0,0,0|2,0,0]=4 7476 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,2,0,0,0,0|1,0,0]=3 7477 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,2,0,0,0,0|1,0,0]=3 7478 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,2,0,0,0,0|1,0,0]=3 7479 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [0,2,0,0,0,0|1,0,0]=3 7480 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [0,2,0,0,0,0|1,0,1]=4 7481 B10R0.55 CCC(C)OCCC[N+](=O)[O-] 34a_200000037920_100011215416 [0,2,0,0,0,0|1,0,1]=4 7482 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [0,2,0,0,0,0|2,0,0]=4 7483 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [0,2,0,0,0,0|2,0,0]=4 7484 B10R0.55 CCC(C)OCCNC(=O)N 34a_100000181757_100011215416 [0,2,0,0,0,0|2,0,0]=4 7485 B10R0.55 CCC(C)OCCNC(=O)N 7a_100000210228_200000034859 [0,2,0,0,0,0|2,0,0]=4 7486 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,2,0,0,0,0|2,0,0]=4 7487 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000210228_200011214921 [0,2,0,0,0,0|2,0,0]=4 7488 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000766696_100000758301 [0,2,0,0,0,0|2,0,0]=4 7489 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,2,0,0,0,0|1,0,0]=3 7490 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,2,0,0,0,0|1,0,0]=3 7491 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [0,2,0,0,0,0|1,0,0]=3 7492 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [0,2,0,0,0,0|1,0,0]=3 7493 B10R0.55 CCC(C)SCCCC(C)O 62a_100000758301_200000718107 [0,2,0,0,0,0|1,0,1]=4 7494 B10R0.55 CCC(C)SCCCC(C)O 62a_200000718107_100000758301 [0,2,0,0,0,0|1,0,1]=4 7495 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [0,2,0,0,0,0|2,0,0]=4 7496 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [0,2,0,0,0,0|2,0,0]=4 7497 B10R0.55 CCC(C)SCCNC(=O)N 62a_100000758301_200000034859 [0,2,0,0,0,0|2,0,0]=4 7498 B10R0.55 CCC(C)SCCNC(=O)N 62a_200000034859_100000758301 [0,2,0,0,0,0|2,0,0]=4 7499 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,2,0,0,0,0|2,0,0]=4 7500 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,2,0,0,0,0|2,0,0]=4 7501 B10R0.55 CCC(C)SCCOC(=O)N 62a_100000758301_200011214921 [0,2,0,0,0,0|2,0,0]=4 7502 B10R0.55 CCC(C)SCCOC(=O)N 62a_200011214921_100000758301 [0,2,0,0,0,0|2,0,0]=4 7503 B10R0.55 CCC(O)CNCCC(=O)N 2230a_100011218483_100000744528 [0,2,0,0,0,0|1,0,0]=3 7504 B10R0.55 CCC(O)CNCCC(C)O 2230a_100011218483_100012276601 [0,2,0,0,0,0|1,0,1]=4 7505 B10R0.55 CCC(O)CNCCC(C)O 2230a_200000755665_100011218378 [0,2,0,0,0,0|1,0,1]=4 7506 B10R0.55 CCC(O)CNOCC(=O)O 269956a_100000106656_100011218378 [0,2,0,0,0,0|1,0,0]=3 7507 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,2,0,0,0,0|1,0,0]=3 7508 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,2,0,0,0,0|1,0,0]=3 7509 B10R0.55 CCC(O)COCCC(=O)N 34a_100000757172_100011218378 [0,2,0,0,0,0|1,0,0]=3 7510 B10R0.55 CCC(O)COCCC(=O)N 7a_100000757172_100011218378 [0,2,0,0,0,0|1,0,0]=3 7511 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,2,0,0,0,0|1,0,0]=3 7512 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,2,0,0,0,0|1,0,0]=3 7513 B10R0.55 CCC(O)CSCCC(=O)N 62a_100000744528_100011218378 [0,2,0,0,0,0|1,0,0]=3 7514 B10R0.55 CCC(O)CSCCC(=O)N 62a_100011218378_100000744528 [0,2,0,0,0,0|1,0,0]=3 7515 B10R0.55 CCC(O)CSCCC(C)O 62a_100011218378_100012276601 [0,2,0,0,0,0|1,0,1]=4 7516 B10R0.55 CCC(O)CSCCC(C)O 62a_100012276601_100011218378 [0,2,0,0,0,0|1,0,1]=4 7517 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [0,2,0,0,0,0|2,0,0]=4 7518 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [0,2,0,0,0,0|2,0,0]=4 7519 B10R0.55 CCN(C)CCCCB(O)O 2230a_100000225621_200009817182 [0,2,0,0,0,0|1,0,1]=4 7520 B10R0.55 CCN(C)CCCCB(O)O 269982a_100000225621_200009817182 [0,2,0,0,0,0|1,0,1]=4 7521 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,2,0,0,0,0|1,0,0]=3 7522 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [0,2,0,0,0,0|2,0,0]=4 7523 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [0,2,0,0,0,0|2,0,0]=4 7524 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [0,2,0,0,0,0|2,0,0]=4 7525 B10R0.55 CCN(C)CCOCC(=O)N 2230a_100000225621_100000076697 [0,2,0,0,0,0|2,0,0]=4 7526 B10R0.55 CCN(C)CCOCC(=O)N 269982a_100000225621_100000076697 [0,2,0,0,0,0|2,0,0]=4 7527 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [0,2,0,0,0,0|1,0,1]=4 7528 B10R0.55 CC[C@H](C)CNOCC(=O)O 269956a_100000106656_100009816398 [0,2,0,0,0,0|1,0,0]=3 7529 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,2,0,0,0,0|1,0,0]=3 7530 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,2,0,0,0,0|1,0,0]=3 7531 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,2,0,0,0,0|1,0,0]=3 7532 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [0,2,0,0,0,0|1,0,0]=3 7533 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [0,2,0,0,0,0|1,0,0]=3 7534 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [0,2,0,0,0,0|1,0,0]=3 7535 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [0,2,0,0,0,0|1,0,1]=4 7536 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,2,0,0,0,0|1,0,0]=3 7537 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,2,0,0,0,0|1,0,0]=3 7538 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [0,2,0,0,0,0|1,0,0]=3 7539 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [0,2,0,0,0,0|1,0,0]=3 7540 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100009816398_100012276601 [0,2,0,0,0,0|1,0,1]=4 7541 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100012276601_100009816398 [0,2,0,0,0,0|1,0,1]=4 7542 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [0,2,0,0,0,0|2,0,0]=4 7543 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [0,2,0,0,0,0|2,0,0]=4 7544 B10R0.55 CN(C)CCCNC(=O)CO 240690a_102531767803_100000210174 [0,2,0,0,0,0|2,0,0]=4 7545 B10R0.55 CN(C)CCCNC(=O)CO 527a_102531767803_100000210174 [0,2,0,0,0,0|2,0,0]=4 7546 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [0,2,0,0,0,0|1,0,0]=3 7547 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [0,2,0,0,0,0|1,0,0]=3 7548 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [0,2,0,0,0,0|1,0,0]=3 7549 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [0,2,0,0,0,0|1,0,0]=3 7550 B10R0.55 CNC(=O)CCCCN(C)C 11a_106832991635_100000751710 [0,2,0,0,0,0|2,0,0]=4 7551 B10R0.55 CNC(=O)CCCCN(C)C 240690a_100102657272_100000751710 [0,2,0,0,0,0|2,0,0]=4 7552 B10R0.55 CNC(=O)CCCCN(C)C 527a_100102657272_100000751710 [0,2,0,0,0,0|2,0,0]=4 7553 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100000740002_100000210206 [0,2,0,0,0,0|2,0,0]=4 7554 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100138425928_100000741757 [0,2,0,0,0,0|2,0,0]=4 7555 B10R0.55 CNC(=O)CCCNC(C)C 34a_100000740002_100000210206 [0,2,0,0,0,0|2,0,0]=4 7556 B10R0.55 CNC(=O)CCCNC(C)C 34a_100138425928_100000741757 [0,2,0,0,0,0|2,0,0]=4 7557 B10R0.55 CNC(=O)CCCOC(C)C 34a_100000212225_100000741757 [0,2,0,0,0,0|2,0,0]=4 7558 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000210206_100000741757 [0,2,0,0,0,0|2,0,0]=4 7559 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000741757_100000210206 [0,2,0,0,0,0|2,0,0]=4 7560 B10R0.55 CNC(=O)CCNCC(=O)O 269956a_100016091260_100000737683 [0,2,0,0,0,0|1,0,1]=4 7561 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000210953_100000737683 [0,2,0,0,0,0|2,0,0]=4 7562 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000738227_100000210760 [0,2,0,0,0,0|2,0,0]=4 7563 B10R0.55 CNC(=O)CCNCC(C)C 270004a_100000738227_100000210432 [0,2,0,0,0,0|2,0,0]=4 7564 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000210953_100012179268 [0,2,0,0,0,0|2,0,0]=4 7565 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000738227_100000210624 [0,2,0,0,0,0|2,0,0]=4 7566 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000210904_100000737683 [0,2,0,0,0,0|2,0,0]=4 7567 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000738227_100011218427 [0,2,0,0,0,0|2,0,0]=4 7568 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000210904_100012179268 [0,2,0,0,0,0|2,0,0]=4 7569 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000738227_100011218427 [0,2,0,0,0,0|2,0,0]=4 7570 B10R0.55 CNC(=O)CCNC[C@@H](C)O 2230a_100000738227_100009817552 [0,2,0,0,0,0|2,0,0]=4 7571 B10R0.55 CNC(=O)CCNC[C@@H](C)O 34a_100000738227_100009817552 [0,2,0,0,0,0|2,0,0]=4 7572 B10R0.55 CNC(=O)CCOCC(C)Br 34a_100012180447_100012179268 [0,2,0,0,0,0|2,0,0]=4 7573 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000210257_100012179268 [0,2,0,0,0,0|2,0,0]=4 7574 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000754576_100000210624 [0,2,0,0,0,0|2,0,0]=4 7575 B10R0.55 CNC(=O)CCOCC(C)F 34a_100015925927_100012179268 [0,2,0,0,0,0|2,0,0]=4 7576 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [0,2,0,0,0,0|2,0,0]=4 7577 B10R0.55 CNC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100012179268 [0,2,0,0,0,0|2,0,0]=4 7578 B10R0.55 CNC(=O)CCOC[C@@H](C)N 34a_100000737577_100012179268 [0,2,0,0,0,0|2,0,0]=4 7579 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [0,2,0,0,0,0|2,0,0]=4 7580 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000210624_100000737683 [0,2,0,0,0,0|2,0,0]=4 7581 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000737683_100000210760 [0,2,0,0,0,0|2,0,0]=4 7582 B10R0.55 CNC(=O)CCSCC(C)O 62a_100000737683_100011218427 [0,2,0,0,0,0|2,0,0]=4 7583 B10R0.55 CNC(=O)CCSCC(C)O 62a_100011218427_100000737683 [0,2,0,0,0,0|2,0,0]=4 7584 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100000737683_100009817552 [0,2,0,0,0,0|2,0,0]=4 7585 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737683 [0,2,0,0,0,0|2,0,0]=4 7586 B10R0.55 CNC(=O)CNCCC(C)C 2230a_100000693194_100000210312 [0,2,0,0,0,0|2,0,0]=4 7587 B10R0.55 CNC(=O)CNCCC(C)C 269862a_100000693194_100000185833 [0,2,0,0,0,0|2,0,0]=4 7588 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [0,2,0,0,0,0|2,0,0]=4 7589 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [0,2,0,0,0,0|2,0,0]=4 7590 B10R0.55 CNC(=O)COCCC(C)Br 34a_100009893172_100000183359 [0,2,0,0,0,0|2,0,0]=4 7591 B10R0.55 CNC(=O)COCCC(C)C 34a_100000210254_100000183359 [0,2,0,0,0,0|2,0,0]=4 7592 B10R0.55 CNC(=O)COCCC(C)C 34a_100000750040_100000210312 [0,2,0,0,0,0|2,0,0]=4 7593 B10R0.55 CNC(=O)COCCC(C)C 7a_100000210254_100000183359 [0,2,0,0,0,0|2,0,0]=4 7594 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [0,2,0,0,0,0|2,0,0]=4 7595 B10R0.55 CNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183359 [0,2,0,0,0,0|2,0,0]=4 7596 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000183359_100000210312 [0,2,0,0,0,0|2,0,0]=4 7597 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000210312_100000183359 [0,2,0,0,0,0|2,0,0]=4 7598 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [0,2,0,0,0,0|2,0,0]=4 7599 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [0,2,0,0,0,0|2,0,0]=4 7600 B10R0.55 CNC(=O)NCCCC(C)C 2708a_100102657272_200000737386 [0,2,0,0,0,0|2,0,0]=4 7601 B10R0.55 CNC(=O)NCCCC(C)C 2708a_200000737386_106832991635 [0,2,0,0,0,0|2,0,0]=4 7602 B10R0.55 CNC(=O)NCCCC(C)C 273464a_100102657272_200000737386 [0,2,0,0,0,0|2,0,0]=4 7603 B10R0.55 CNC(=O)NCCCC(C)C 273464a_200000737386_100102657272 [0,2,0,0,0,0|2,0,0]=4 7604 B10R0.55 CNC(=O)NCCCC(C)C 512a_106832991638_200000737386 [0,2,0,0,0,0|2,0,0]=4 7605 B10R0.55 CNC(=O)NCCCC(C)C 512a_200000737386_100102657272 [0,2,0,0,0,0|2,0,0]=4 7606 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,2,0,0,0,0|0,0,1]=3 7607 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,2,0,0,0,0|0,0,1]=3 7608 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,2,0,0,0,0|0,0,1]=3 7609 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,2,0,0,0,0|1,0,0]=3 7610 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,2,0,0,0,0|1,0,0]=3 7611 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [0,2,0,0,0,0|1,0,1]=4 7612 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [0,2,0,0,0,0|1,0,0]=3 7613 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [0,2,0,0,0,0|1,0,0]=3 7614 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [0,2,0,0,0,0|1,0,0]=3 7615 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [0,2,0,0,0,0|1,0,0]=3 7616 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [0,2,0,0,0,0|1,0,0]=3 7617 B10R0.55 COC(=O)CCNCC(=O)O 269956a_100016091260_100000204255 [0,2,0,0,0,0|1,0,1]=4 7618 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [0,2,0,0,0,0|1,0,0]=3 7619 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [0,2,0,0,0,0|1,0,0]=3 7620 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,2,0,0,0,0|1,0,0]=3 7621 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,2,0,0,0,0|1,0,0]=3 7622 B10R0.55 COC(=O)CCNCC(F)F 34a_100000765723_100000742370 [0,2,0,0,0,0|2,0,0]=4 7623 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [0,2,0,0,0,0|1,0,1]=4 7624 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [0,2,0,0,0,0|1,0,0]=3 7625 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [0,2,0,0,0,0|1,0,0]=3 7626 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [0,2,0,0,0,0|1,0,0]=3 7627 B10R0.55 COC(=O)CCOCC(F)F 34a_100000743014_100000742370 [0,2,0,0,0,0|2,0,0]=4 7628 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [0,2,0,0,0,0|1,0,0]=3 7629 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [0,2,0,0,0,0|1,0,0]=3 7630 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [0,2,0,0,0,0|1,0,0]=3 7631 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [0,2,0,0,0,0|1,0,0]=3 7632 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,2,0,0,0,0|1,0,0]=3 7633 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,2,0,0,0,0|1,0,0]=3 7634 B10R0.55 COC(=O)CCSCC(F)F 62a_100000204255_100011934356 [0,2,0,0,0,0|2,0,0]=4 7635 B10R0.55 COC(=O)CCSCC(F)F 62a_100011934356_100000204255 [0,2,0,0,0,0|2,0,0]=4 7636 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,2,0,0,0,0|1,0,0]=3 7637 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,2,0,0,0,0|1,0,0]=3 7638 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,2,0,0,0,0|1,0,0]=3 7639 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,2,0,0,0,0|1,0,1]=4 7640 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,2,0,0,0,0|1,0,1]=4 7641 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,2,0,0,0,0|1,0,1]=4 7642 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [0,2,0,0,0,0|1,0,0]=3 7643 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [0,2,0,0,0,0|1,0,0]=3 7644 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [0,2,0,0,0,0|1,0,0]=3 7645 B10R0.55 COC(=O)COCCC(F)F 34a_100103093639_100000747449 [0,2,0,0,0,0|2,0,0]=4 7646 B10R0.55 COC(=O)COCCN(C)C 2230a_100102631434_100000090808 [0,2,0,0,0,0|2,0,0]=4 7647 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [0,2,0,0,0,0|1,0,0]=3 7648 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000053229_100000747449 [0,2,0,0,0,0|1,0,1]=4 7649 B10R0.55 COC(=O)CSCCC(=O)C 62a_100000747449_100000053229 [0,2,0,0,0,0|1,0,1]=4 7650 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [0,2,0,0,0,0|1,0,0]=3 7651 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [0,2,0,0,0,0|1,0,0]=3 7652 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,2,0,0,0,0|1,0,0]=3 7653 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,2,0,0,0,0|1,0,0]=3 7654 B10R0.55 COC(=O)CSCCN(C)C 62a_100000747449_100000755713 [0,2,0,0,0,0|2,0,0]=4 7655 B10R0.55 COC(=O)CSCOC(C)C 62a_100000709892_100000747449 [0,2,0,0,0,0|2,0,0]=4 7656 B10R0.55 COC(=O)CSCOC(C)C 62a_100000747449_100000709892 [0,2,0,0,0,0|2,0,0]=4 7657 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,2,0,0,0,0|1,0,1]=4 7658 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,2,0,0,0,0|1,0,1]=4 7659 B10R0.55 COC(=O)NCCOC(C)C 34a_100000757965_100000210206 [0,2,0,0,0,0|2,0,0]=4 7660 B10R0.55 COC(=O)OCCOC(C)C 34a_100010262106_100000210206 [0,2,0,0,0,0|2,0,0]=4 7661 B10R0.55 COC(=O)OCSCC(C)C 62a_100000210624_100000139417 [0,2,0,0,0,0|2,0,0]=4 7662 B10R0.55 COC(=O)OCSCC(C)O 62a_100011218427_100000139417 [0,2,0,0,0,0|2,0,0]=4 7663 B10R0.55 COC(=O)OCSC[C@@H](C)O 62a_100009817552_100000139417 [0,2,0,0,0,0|2,0,0]=4 7664 B10R0.55 COC(C)CCOCC(=O)N 7a_100000764861_100000187820 [0,2,0,0,0,0|2,0,0]=4 7665 B10R0.55 COC(C)COCCC(=O)N 34a_100000690652_100000731001 [0,2,0,0,0,0|2,0,0]=4 7666 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [0,2,0,0,0,0|2,0,0]=4 7667 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [0,2,0,0,0,0|2,0,0]=4 7668 B10R0.55 COC(C)SCCCC(=O)N 62a_100009879195_100102525003 [0,2,0,0,0,0|2,0,0]=4 7669 B10R0.55 COC(C)SCCCC(=O)N 62a_100102525003_100009879195 [0,2,0,0,0,0|2,0,0]=4 7670 B10R0.55 CO[C@H](C)CNCCC(=O)N 2230a_100020591295_100000744528 [0,2,0,0,0,0|2,0,0]=4 7671 B10R0.55 CS(=O)CCCNC(=O)CO 240690a_200000753449_100000210174 [0,2,0,0,0,0|2,0,0]=4 7672 B10R0.55 CS(=O)CCCNC(=O)CO 527a_200000753449_100000210174 [0,2,0,0,0,0|2,0,0]=4 7673 B10R0.55 C[C@@H](CO)CNOCC(=O)O 269956a_100000106656_100000059175 [0,2,0,0,0,0|2,0,0]=4 7674 B10R0.55 C[C@@H](CO)COCCC(=O)N 34a_100000757172_100000059175 [0,2,0,0,0,0|2,0,0]=4 7675 B10R0.55 C[C@@H](CO)COCCC(=O)N 7a_100000757172_100000059175 [0,2,0,0,0,0|2,0,0]=4 7676 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000059175_100000744528 [0,2,0,0,0,0|2,0,0]=4 7677 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000744528_100000059175 [0,2,0,0,0,0|2,0,0]=4 7678 B10R0.55 C[C@@H](O)COCCC(=NO)N 34a_100000749954_100009817552 [0,2,0,0,0,0|2,0,0]=4 7679 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100016084084_100102525003 [0,2,0,0,0,0|2,0,0]=4 7680 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100102525003_100016084084 [0,2,0,0,0,0|2,0,0]=4 7681 B10R0.55 NC(=O)CCNC[C@@H](F)CO 34a_100015665980_100000731001 [0,2,0,0,0,0|2,0,0]=4 7682 B10R0.55 NC(=O)CCNC[C@H](O)CO 2230a_100020644852_100000744528 [0,2,0,0,0,0|2,0,0]=4 7683 B10R0.55 NC(=O)CCOCC(Cl)CCl 34a_100000033668_100000731001 [0,2,0,0,0,0|2,0,0]=4 7684 B10R0.55 NC(=O)CCOCC(O)CO 34a_100000757172_100011219619 [0,2,0,0,0,0|2,0,0]=4 7685 B10R0.55 NC(=O)CCOCC(O)CO 7a_100000757172_100011219619 [0,2,0,0,0,0|2,0,0]=4 7686 B10R0.55 NC(=O)CCOC[C@@H](O)CF 34a_100000757172_100015614560 [0,2,0,0,0,0|2,0,0]=4 7687 B10R0.55 NC(=O)CCOC[C@@H](O)CF 7a_100000757172_100015614560 [0,2,0,0,0,0|2,0,0]=4 7688 B10R0.55 NC(=O)CCOC[C@@H](O)CO 34a_100000757172_100009815848 [0,2,0,0,0,0|2,0,0]=4 7689 B10R0.55 NC(=O)CCOC[C@@H](O)CO 7a_100000757172_100009815848 [0,2,0,0,0,0|2,0,0]=4 7690 B10R0.55 NC(=O)CCSCC(O)CO 62a_100000744528_100011219619 [0,2,0,0,0,0|2,0,0]=4 7691 B10R0.55 NC(=O)CCSCC(O)CO 62a_100011219619_100000744528 [0,2,0,0,0,0|2,0,0]=4 7692 B10R0.55 NC(=O)CCSC[C@@H](O)CF 62a_100000744528_100015614560 [0,2,0,0,0,0|2,0,0]=4 7693 B10R0.55 NC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000744528 [0,2,0,0,0,0|2,0,0]=4 7694 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100000744528_100009815848 [0,2,0,0,0,0|2,0,0]=4 7695 B10R0.55 NC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000744528 [0,2,0,0,0,0|2,0,0]=4 7696 B10R0.55 NC[C@@H](F)COCCC(=O)N 34a_100015665980_100000731001 [0,2,0,0,0,0|2,0,0]=4 7697 B10R0.55 O=C(CO)CCCCB(O)O 1458a_100000210174_200009817182 [0,2,0,0,0,0|2,0,0]=4 7698 B10R0.55 O=C(CO)CCOCC(F)F 1458a_100000210174_200012177212 [0,2,0,0,0,0|2,0,0]=4 7699 B10R0.55 O=C(O)CONCC(O)CO 269956a_100000106656_100011219619 [0,2,0,0,0,0|2,0,0]=4 7700 B10R0.55 O=C(O)CONC[C@@H](O)CF 269956a_100000106656_100015614560 [0,2,0,0,0,0|2,0,0]=4 7701 B10R0.55 O=C(O)CONC[C@@H](O)CO 269956a_100000106656_100009815848 [0,2,0,0,0,0|2,0,0]=4 7702 B10R0.74 C#CC(=O)CCCCCC#N 1458a_100000211873_100009813376 [0,2,0,0,0,0|1,0,1]=4 7703 B10R0.74 C#CC(=O)CCCCCC=C 1458a_100000211873_100000700193 [0,2,0,0,0,0|1,0,1]=4 7704 B10R0.74 C#CC(=O)CCCCCCC 1458a_100000211873_100000210614 [0,2,0,0,0,0|1,0,0]=3 7705 B10R0.74 C#CC(=O)CCCCCCF 1458a_100000211873_100015922095 [0,2,0,0,0,0|1,0,0]=3 7706 B10R0.74 C#CC(=O)CCCCCCO 1458a_100000211873_100000766143 [0,2,0,0,0,0|1,0,0]=3 7707 B10R0.74 C#CC(=O)CCOCCCC 1458a_100000211873_100000743108 [0,2,0,0,0,0|1,0,0]=3 7708 B10R0.74 C#CC(=O)CCOCCOC 1458a_100000211873_100000695917 [0,2,0,0,0,0|2,0,0]=4 7709 B10R0.74 C#CC(O)CCCCCNC 2230a_106832991635_200010408556 [0,2,0,0,0,0|1,0,1]=4 7710 B10R0.74 C#CC(O)CCCCCNC 34a_100102657272_200010408556 [0,2,0,0,0,0|1,0,1]=4 7711 B10R0.74 C#CC(O)CCCCCNC 7a_106832991635_200010408556 [0,2,0,0,0,0|1,0,1]=4 7712 B10R0.74 C#CC(O)CCCCCOC 34a_100138415774_200010408556 [0,2,0,0,0,0|1,0,1]=4 7713 B10R0.74 C#CC(O)CCCCCSC 62a_200000210301_200010408556 [0,2,0,0,0,0|1,0,1]=4 7714 B10R0.74 C#CC(O)CCCCCSC 62a_200010408556_200000210301 [0,2,0,0,0,0|1,0,1]=4 7715 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200010408556_200025704644 [0,2,0,0,0,0|1,0,1]=4 7716 B10R0.74 C#CC(O)CCCCCS[13CH3] 62a_200025704644_200010408556 [0,2,0,0,0,0|1,0,1]=4 7717 B10R0.74 C#CCCCCCC(=O)C#C 1458a_100000211873_100012094781 [0,2,0,0,0,0|1,0,1]=4 7718 B10R0.74 C#CCCCCCC(=O)C=C 1458a_100000185746_100012094781 [0,2,0,0,0,0|1,0,1]=4 7719 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000210414_100012094781 [0,2,0,0,0,0|1,0,1]=4 7720 B10R0.74 C#CCCCCCC(=O)CC 1458a_100000694772_100000210202 [0,2,0,0,0,0|1,0,1]=4 7721 B10R0.74 C#CCCCCCC(=O)CF 1458a_100000694772_100015361967 [0,2,0,0,0,0|1,0,1]=4 7722 B10R0.74 C#CCCCCCC(=O)CO 1458a_100000210174_100012094781 [0,2,0,0,0,0|0,0,1]=3 7723 B10R0.74 C#CCCCCCC(=O)NC 11a_106832991635_100000694772 [0,2,0,0,0,0|1,0,1]=4 7724 B10R0.74 C#CCCCCCC(=O)NC 1626a_100102657272_100000694772 [0,2,0,0,0,0|1,0,1]=4 7725 B10R0.74 C#CCCCCCC(=O)NC 240690a_100102657272_100000694772 [0,2,0,0,0,0|1,0,1]=4 7726 B10R0.74 C#CCCCCCC(=O)NC 527a_100102657272_100000694772 [0,2,0,0,0,0|1,0,1]=4 7727 B10R0.74 C#CCCCCNC(=O)CO 240690a_100000706060_100000210174 [0,2,0,0,0,0|0,0,2]=4 7728 B10R0.74 C#CCCCCNC(=O)CO 527a_100000706060_100000210174 [0,2,0,0,0,0|0,0,2]=4 7729 B10R0.74 C#CCCCNCC(=O)OC 34a_100000718082_100000747449 [0,2,0,0,0,0|0,0,2]=4 7730 B10R0.74 C#CCCCOCC(=O)OC 34a_100000215630_100000747449 [0,2,0,0,0,0|0,0,2]=4 7731 B10R0.74 C#CCCCOCC(=O)OC 7a_100000215630_100000747449 [0,2,0,0,0,0|0,0,2]=4 7732 B10R0.74 C#CCCCSCC(=O)OC 62a_100000747449_100011215417 [0,2,0,0,0,0|0,0,2]=4 7733 B10R0.74 C#CCCCSCC(=O)OC 62a_100011215417_100000747449 [0,2,0,0,0,0|0,0,2]=4 7734 B10R0.74 C#CCCNCCC(=O)OC 34a_100000755551_100000742370 [0,2,0,0,0,0|0,0,2]=4 7735 B10R0.74 C#CCCOCCC(=O)OC 34a_100011215631_100000742370 [0,2,0,0,0,0|0,0,2]=4 7736 B10R0.74 C#CCCSCCC(=O)OC 62a_100000204255_100000688953 [0,2,0,0,0,0|0,0,2]=4 7737 B10R0.74 C#CCCSCCC(=O)OC 62a_100000688953_100000204255 [0,2,0,0,0,0|0,0,2]=4 7738 B10R0.74 C#CCNCCCC(=O)OC 34a_100000212058_100000742333 [0,2,0,0,0,0|0,0,2]=4 7739 B10R0.74 C#CCOCCCC(=O)OC 34a_100000210247_100000742333 [0,2,0,0,0,0|0,0,2]=4 7740 B10R0.74 C#CCSCCCC(=O)OC 62a_100000038162_100011218270 [0,2,0,0,0,0|0,0,2]=4 7741 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [0,2,0,0,0,0|0,0,2]=4 7742 B10R0.74 C/C=C/COCCC(=O)OC 34a_100016270725_100000742370 [0,2,0,0,0,0|0,0,2]=4 7743 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100000204255_100102629194 [0,2,0,0,0,0|0,0,2]=4 7744 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100102629194_100000204255 [0,2,0,0,0,0|0,0,2]=4 7745 B10R0.74 C=C(C#N)CNCCCCC 2230a_100000209983_100000694840 [0,2,0,0,0,0|2,0,0]=4 7746 B10R0.74 C=C(C#N)COCCCCC 34a_100000210253_100000694840 [0,2,0,0,0,0|2,0,0]=4 7747 B10R0.74 C=C(C#N)CSCCCCC 62a_100000210326_100000694840 [0,2,0,0,0,0|2,0,0]=4 7748 B10R0.74 C=CC(=O)CCCCCC#N 1458a_100000185746_100009813376 [0,2,0,0,0,0|1,0,1]=4 7749 B10R0.74 C=CC(=O)CCCCCCC 1458a_100000185746_100000210614 [0,2,0,0,0,0|1,0,0]=3 7750 B10R0.74 C=CC(=O)CCCCCCF 1458a_100000185746_100015922095 [0,2,0,0,0,0|1,0,0]=3 7751 B10R0.74 C=CC(=O)CCCCCCO 1458a_100000185746_100000766143 [0,2,0,0,0,0|1,0,0]=3 7752 B10R0.74 C=CC(=O)CCOCCCC 1458a_100000185746_100000743108 [0,2,0,0,0,0|1,0,0]=3 7753 B10R0.74 C=CC(=O)CCOCCOC 1458a_100000185746_100000695917 [0,2,0,0,0,0|2,0,0]=4 7754 B10R0.74 C=CC(=O)NCCCCCC 1626a_100000210581_100000185746 [0,2,0,0,0,0|1,0,0]=3 7755 B10R0.74 C=CC(=O)NCCCCCC 240690a_100000210581_200121576911 [0,2,0,0,0,0|1,0,0]=3 7756 B10R0.74 C=CC(=O)NCCCCCO 240690a_100000762737_200121576911 [0,2,0,0,0,0|2,0,0]=4 7757 B10R0.74 C=CC(=O)NCCCCOC 34a_100014118770_200000210301 [0,2,0,0,0,0|2,0,0]=4 7758 B10R0.74 C=CC(=O)NCCCCO[13CH3] 34a_100014118770_200025704644 [0,2,0,0,0,0|2,0,0]=4 7759 B10R0.74 C=CC(=O)NCCCOCC 1626a_100000210961_100000185746 [0,2,0,0,0,0|2,0,0]=4 7760 B10R0.74 C=CC(=O)NCCCOCC 240690a_100000210961_200121576911 [0,2,0,0,0,0|2,0,0]=4 7761 B10R0.74 C=CC(=O)NCCNCCC 2230a_114873766552_100000210303 [0,2,0,0,0,0|2,0,0]=4 7762 B10R0.74 C=CC(=O)NCCOCCC 1626a_100161115042_100000185746 [0,2,0,0,0,0|2,0,0]=4 7763 B10R0.74 C=CC(=O)NCCOCCC 240690a_100161115042_200121576911 [0,2,0,0,0,0|2,0,0]=4 7764 B10R0.74 C=CC(=O)NCCOCCC 34a_100011304386_100000210303 [0,2,0,0,0,0|2,0,0]=4 7765 B10R0.74 C=CC(=O)NCCSCCC 240690a_100020603323_200121576911 [0,2,0,0,0,0|2,0,0]=4 7766 B10R0.74 C=CC(=O)NNCCCCC 22a_100000694160_100000185746 [0,2,0,0,0,0|2,0,0]=4 7767 B10R0.74 C=CC(=O)OCCOCCC 34a_100000210258_100009813456 [0,2,0,0,0,0|2,0,0]=4 7768 B10R0.74 C=CC(=O)OCCSCCC 62a_100000210303_100009813456 [0,2,0,0,0,0|2,0,0]=4 7769 B10R0.74 C=CC(=O)OCCSCCC 62a_100009813456_100000210303 [0,2,0,0,0,0|2,0,0]=4 7770 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [0,2,0,0,0,0|1,0,1]=4 7771 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [0,2,0,0,0,0|1,0,1]=4 7772 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [0,2,0,0,0,0|1,0,1]=4 7773 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [0,2,0,0,0,0|1,0,1]=4 7774 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [0,2,0,0,0,0|1,0,1]=4 7775 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [0,2,0,0,0,0|1,0,1]=4 7776 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,2,0,0,0,0|1,0,1]=4 7777 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,2,0,0,0,0|1,0,1]=4 7778 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [0,2,0,0,0,0|1,0,1]=4 7779 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,2,0,0,0,0|0,0,1]=3 7780 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,2,0,0,0,0|1,0,1]=4 7781 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,2,0,0,0,0|1,0,1]=4 7782 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,2,0,0,0,0|1,0,1]=4 7783 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,2,0,0,0,0|1,0,1]=4 7784 B10R0.74 C=CCCCCNC(=O)CO 240690a_100000703577_100000210174 [0,2,0,0,0,0|0,0,2]=4 7785 B10R0.74 C=CCCCCNC(=O)CO 527a_100000703577_100000210174 [0,2,0,0,0,0|0,0,2]=4 7786 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [0,2,0,0,0,0|0,0,2]=4 7787 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [0,2,0,0,0,0|0,0,2]=4 7788 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [0,2,0,0,0,0|0,0,2]=4 7789 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [0,2,0,0,0,0|0,0,2]=4 7790 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [0,2,0,0,0,0|0,0,2]=4 7791 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [0,2,0,0,0,0|0,0,2]=4 7792 B10R0.74 C=CCCNCCC(=O)OC 2230a_100015191253_100000204255 [0,2,0,0,0,0|0,0,2]=4 7793 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [0,2,0,0,0,0|0,0,2]=4 7794 B10R0.74 C=CCCSCCC(=O)OC 62a_100000204255_100000754431 [0,2,0,0,0,0|0,0,2]=4 7795 B10R0.74 C=CCCSCCC(=O)OC 62a_100000754431_100000204255 [0,2,0,0,0,0|0,0,2]=4 7796 B10R0.74 C=CCNCCCC(=O)OC 2230a_100020586998_100011218270 [0,2,0,0,0,0|0,0,2]=4 7797 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [0,2,0,0,0,0|0,0,2]=4 7798 B10R0.74 C=CCSCCCC(=O)OC 62a_100000210623_100011218270 [0,2,0,0,0,0|0,0,2]=4 7799 B10R0.74 C=CCSCCCC(=O)OC 62a_100011218270_100000210623 [0,2,0,0,0,0|0,0,2]=4 7800 B10R0.74 CC#CCCOCC(=O)OC 34a_100000750427_100000747449 [0,2,0,0,0,0|0,0,2]=4 7801 B10R0.74 CC#CCNCCC(=O)OC 2230a_100000685387_100000204255 [0,2,0,0,0,0|0,0,2]=4 7802 B10R0.74 CC#CCNCCC(=O)OC 34a_100000685387_100000742370 [0,2,0,0,0,0|0,0,2]=4 7803 B10R0.74 CC#CCOCCC(=O)OC 34a_100000761923_100000742370 [0,2,0,0,0,0|0,0,2]=4 7804 B10R0.74 CC#CCSCCC(=O)OC 62a_100000204255_100000748600 [0,2,0,0,0,0|0,0,2]=4 7805 B10R0.74 CC#CCSCCC(=O)OC 62a_100000748600_100000204255 [0,2,0,0,0,0|0,0,2]=4 7806 B10R0.74 CC/C=C\COCC(=O)OC 34a_100016268518_100000747449 [0,2,0,0,0,0|0,0,2]=4 7807 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100000747449_100103147603 [0,2,0,0,0,0|0,0,2]=4 7808 B10R0.74 CC/C=C\CSCC(=O)OC 62a_100103147603_100000747449 [0,2,0,0,0,0|0,0,2]=4 7809 B10R0.74 CC=CCSCCC(=O)OC 62a_100000070051_100000204255 [0,2,0,0,0,0|0,0,2]=4 7810 B10R0.74 CC=CCSCCC(=O)OC 62a_100000204255_100000070051 [0,2,0,0,0,0|0,0,2]=4 7811 B10R0.74 CCC#CCOCC(=O)OC 34a_100000032950_100000747449 [0,2,0,0,0,0|0,0,2]=4 7812 B10R0.74 CCC#CCSCC(=O)OC 62a_100000747449_100009813939 [0,2,0,0,0,0|0,0,2]=4 7813 B10R0.74 CCC#CCSCC(=O)OC 62a_100009813939_100000747449 [0,2,0,0,0,0|0,0,2]=4 7814 B10R0.74 CCC(=O)CCCCCC#N 1458a_100000210414_100009813376 [0,2,0,0,0,0|1,0,1]=4 7815 B10R0.74 CCC(=O)CCCCCCF 1458a_100000210414_100015922095 [0,2,0,0,0,0|1,0,0]=3 7816 B10R0.74 CCC(=O)CCCCCCO 1458a_100000210414_100000766143 [0,2,0,0,0,0|1,0,0]=3 7817 B10R0.74 CCC(=O)CCCCCCO 1458a_100011996774_100000210202 [0,2,0,0,0,0|1,0,0]=3 7818 B10R0.74 CCC(=O)CCCCCOC 1458a_100011935119_100000210202 [0,2,0,0,0,0|1,0,0]=3 7819 B10R0.74 CCC(=O)CCOCCOC 1458a_100000210414_100000695917 [0,2,0,0,0,0|2,0,0]=4 7820 B10R0.74 CCC(=O)CCOCCOC 1458a_100000745395_100000210202 [0,2,0,0,0,0|2,0,0]=4 7821 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,2,0,0,0,0|2,0,0]=4 7822 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,2,0,0,0,0|2,0,0]=4 7823 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,2,0,0,0,0|2,0,0]=4 7824 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,2,0,0,0,0|2,0,0]=4 7825 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,2,0,0,0,0|2,0,0]=4 7826 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,2,0,0,0,0|2,0,0]=4 7827 B10R0.74 CCC(=O)CSCCCCF 62a_100000729493_100000747405 [0,2,0,0,0,0|2,0,0]=4 7828 B10R0.74 CCC(=O)CSCCCCF 62a_100000747405_100000729493 [0,2,0,0,0,0|2,0,0]=4 7829 B10R0.74 CCC(=O)CSCCCCO 62a_100000210776_100000747405 [0,2,0,0,0,0|2,0,0]=4 7830 B10R0.74 CCC(=O)CSCCCCO 62a_100000747405_100000210776 [0,2,0,0,0,0|2,0,0]=4 7831 B10R0.74 CCC(=O)CSCCCOC 62a_100000709357_100000747405 [0,2,0,0,0,0|2,0,0]=4 7832 B10R0.74 CCC(=O)CSCCCOC 62a_100000747405_100000709357 [0,2,0,0,0,0|2,0,0]=4 7833 B10R0.74 CCC(=O)NCCCCCO 240690a_100000762737_100000210414 [0,2,0,0,0,0|2,0,0]=4 7834 B10R0.74 CCCC/C=C/CC(=O)CC 1458a_200016282684_100000210202 [0,2,0,0,0,0|1,0,1]=4 7835 B10R0.74 CCCC/C=C/CC(=O)CF 1458a_200016282684_100015361967 [0,2,0,0,0,0|1,0,1]=4 7836 B10R0.74 CCCC/C=C/CC(=O)NC 11a_106832991635_200016282684 [0,2,0,0,0,0|1,0,1]=4 7837 B10R0.74 CCCC/C=C/CC(=O)NC 1626a_100102657272_200016282684 [0,2,0,0,0,0|1,0,1]=4 7838 B10R0.74 CCCC/C=C/CC(=O)NC 240690a_100102657272_200016282684 [0,2,0,0,0,0|1,0,1]=4 7839 B10R0.74 CCCC/C=C/CC(=O)NC 527a_100102657272_200016282684 [0,2,0,0,0,0|1,0,1]=4 7840 B10R0.74 CCCCCC#CC(=O)CC 1458a_100011215388_100000210202 [0,2,0,0,0,0|1,0,1]=4 7841 B10R0.74 CCCCCC#CC(=O)CF 1458a_100011215388_100015361967 [0,2,0,0,0,0|1,0,1]=4 7842 B10R0.74 CCCCCC#CC(=O)NC 240690a_100102657272_100011215388 [0,2,0,0,0,0|1,0,1]=4 7843 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [0,2,0,0,0,0|1,0,1]=4 7844 B10R0.74 CCCCCC=CC(=O)CF 1458a_100016263427_100015361967 [0,2,0,0,0,0|1,0,1]=4 7845 B10R0.74 CCCCCC=CC(=O)NC 11a_106832991635_100016263427 [0,2,0,0,0,0|1,0,1]=4 7846 B10R0.74 CCCCCC=CC(=O)NC 1626a_100102657272_100016263427 [0,2,0,0,0,0|1,0,1]=4 7847 B10R0.74 CCCCCC=CC(=O)NC 240690a_100102657272_100016263427 [0,2,0,0,0,0|1,0,1]=4 7848 B10R0.74 CCCCCCCC(=O)CC 1458a_100000210414_100000210614 [0,2,0,0,0,0|1,0,0]=3 7849 B10R0.74 CCCCCCCC(=O)CC 1458a_100000211969_100000210202 [0,2,0,0,0,0|1,0,0]=3 7850 B10R0.74 CCCCCCCC(=O)CF 1458a_100000211969_100015361967 [0,2,0,0,0,0|1,0,0]=3 7851 B10R0.74 CCCCCCCC(=O)CO 1458a_100000210174_100000210614 [0,2,0,0,0,0|0,0,0]=2 7852 B10R0.74 CCCCCCCC(=O)NC 11a_106832991635_100000211969 [0,2,0,0,0,0|1,0,0]=3 7853 B10R0.74 CCCCCCCC(=O)NC 1626a_100102657272_100000211969 [0,2,0,0,0,0|1,0,0]=3 7854 B10R0.74 CCCCCCCC(=O)NC 240690a_100102657272_100000211969 [0,2,0,0,0,0|1,0,0]=3 7855 B10R0.74 CCCCCCCC(=O)NC 527a_100102657272_100000211969 [0,2,0,0,0,0|1,0,0]=3 7856 B10R0.74 CCCCCCCC(C)OC 34a_100138415774_200011218727 [0,2,0,0,0,0|1,0,1]=4 7857 B10R0.74 CCCCCCCC(C)OC 34a_200011215852_200000210301 [0,2,0,0,0,0|1,0,1]=4 7858 B10R0.74 CCCCCCCC(C)OC 7a_200011215852_200000210301 [0,2,0,0,0,0|1,0,1]=4 7859 B10R0.74 CCCCCCCC(C)O[13CH3] 34a_200011215852_200025704644 [0,2,0,0,0,0|1,0,1]=4 7860 B10R0.74 CCCCCCCC(C)O[13CH3] 7a_200011215852_200025704644 [0,2,0,0,0,0|1,0,1]=4 7861 B10R0.74 CCCCCCNC(=O)CC 11a_100000210581_100000210414 [0,2,0,0,0,0|1,0,0]=3 7862 B10R0.74 CCCCCCNC(=O)CC 1626a_100000210581_100000210414 [0,2,0,0,0,0|1,0,0]=3 7863 B10R0.74 CCCCCCNC(=O)CC 240690a_100000210581_100000210414 [0,2,0,0,0,0|1,0,0]=3 7864 B10R0.74 CCCCCCNC(=O)CC 527a_100000210581_100000210414 [0,2,0,0,0,0|1,0,0]=3 7865 B10R0.74 CCCCCCNC(=O)CO 240690a_100000210581_100000210174 [0,2,0,0,0,0|0,0,0]=2 7866 B10R0.74 CCCCCCNC(=O)CO 527a_100000210581_100000210174 [0,2,0,0,0,0|0,0,0]=2 7867 B10R0.74 CCCCCCNC(=O)NC 2708a_100000210581_106832991635 [0,2,0,0,0,0|1,0,0]=3 7868 B10R0.74 CCCCCCNC(=O)NC 2708a_100102657272_100000210581 [0,2,0,0,0,0|1,0,0]=3 7869 B10R0.74 CCCCCCNC(=O)NC 273464a_100000210581_100102657272 [0,2,0,0,0,0|1,0,0]=3 7870 B10R0.74 CCCCCCNC(=O)NC 273464a_100102657272_100000210581 [0,2,0,0,0,0|1,0,0]=3 7871 B10R0.74 CCCCCCNC(=O)NC 512a_100000210581_100102657272 [0,2,0,0,0,0|1,0,0]=3 7872 B10R0.74 CCCCCCNC(=O)NC 512a_106832991638_100000210581 [0,2,0,0,0,0|1,0,0]=3 7873 B10R0.74 CCCCCCNC(C)CO 2230a_100000210581_100012180447 [0,2,0,0,0,0|1,0,1]=4 7874 B10R0.74 CCCCCCN[C@H](C)CO 2230a_100000737577_100000210314 [0,2,0,0,0,0|1,0,1]=4 7875 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [0,2,0,0,0,0|1,0,1]=4 7876 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [0,2,0,0,0,0|1,0,1]=4 7877 B10R0.74 CCCCCCSC(C)CO 62a_100012180447_100000210757 [0,2,0,0,0,0|1,0,1]=4 7878 B10R0.74 CCCCCCSC(C)OC 62a_100000210314_100009879195 [0,2,0,0,0,0|1,0,1]=4 7879 B10R0.74 CCCCCCSC(C)OC 62a_100009879195_100000210757 [0,2,0,0,0,0|1,0,1]=4 7880 B10R0.74 CCCCCCS[C@H](C)CO 62a_100000210314_100016084084 [0,2,0,0,0,0|1,0,1]=4 7881 B10R0.74 CCCCCCS[C@H](C)CO 62a_100016084084_100000210757 [0,2,0,0,0,0|1,0,1]=4 7882 B10R0.74 CCCCCNCC(=O)NC 2230a_100000209983_100000183359 [0,2,0,0,0,0|1,0,0]=3 7883 B10R0.74 CCCCCNCC(=O)NC 2230a_100000693194_100000210326 [0,2,0,0,0,0|1,0,0]=3 7884 B10R0.74 CCCCCNCC(=O)OC 2230a_100000209983_100000747449 [0,2,0,0,0,0|0,0,0]=2 7885 B10R0.74 CCCCCNCC(C)CO 34a_100000744482_100000718602 [0,2,0,0,0,0|1,0,1]=4 7886 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [0,2,0,0,0,0|1,0,1]=4 7887 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [0,2,0,0,0,0|1,0,1]=4 7888 B10R0.74 CCCCCNCC(O)CO 2230a_100000209983_100011219619 [0,2,0,0,0,0|0,0,2]=4 7889 B10R0.74 CCCCCNC[C@@H](C)CO 2230a_100000209983_100000059175 [0,2,0,0,0,0|1,0,1]=4 7890 B10R0.74 CCCCCNC[C@@H](C)OC 2230a_100020591295_100000210326 [0,2,0,0,0,0|1,0,1]=4 7891 B10R0.74 CCCCCNC[C@@H](F)CO 34a_100015665980_100000718602 [0,2,0,0,0,0|1,0,1]=4 7892 B10R0.74 CCCCCNC[C@@H](O)CF 2230a_100000209983_100015614560 [0,2,0,0,0,0|1,0,1]=4 7893 B10R0.74 CCCCCNC[C@@H](O)CO 2230a_100000209983_100009815848 [0,2,0,0,0,0|0,0,2]=4 7894 B10R0.74 CCCCCNC[C@H](O)CO 2230a_100020644852_100000210326 [0,2,0,0,0,0|0,0,2]=4 7895 B10R0.74 CCCCCNN=C(C)CO 4a_100000694160_100000211253 [0,2,0,0,0,0|2,0,0]=4 7896 B10R0.74 CCCCCNNC(=O)CC 22a_100000694160_100000210414 [0,2,0,0,0,0|2,0,0]=4 7897 B10R0.74 CCCCCNNC(=O)CO 22a_100000694160_100000210174 [0,2,0,0,0,0|1,0,0]=3 7898 B10R0.74 CCCCCNNC(=O)NC 273464a_100102657272_100000694160 [0,2,0,0,0,0|2,0,0]=4 7899 B10R0.74 CCCCCNNC(=O)NC 512a_100000694160_100102657272 [0,2,0,0,0,0|2,0,0]=4 7900 B10R0.74 CCCCCNNC(=O)NC 512a_106832991638_100000694160 [0,2,0,0,0,0|2,0,0]=4 7901 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,2,0,0,0,0|1,0,0]=3 7902 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,2,0,0,0,0|1,0,0]=3 7903 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,2,0,0,0,0|1,0,0]=3 7904 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,2,0,0,0,0|1,0,0]=3 7905 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,2,0,0,0,0|1,0,0]=3 7906 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,2,0,0,0,0|0,0,0]=2 7907 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,2,0,0,0,0|0,0,0]=2 7908 B10R0.74 CCCCCOCC(C)OC 34a_100000690652_100000718602 [0,2,0,0,0,0|1,0,1]=4 7909 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [0,2,0,0,0,0|1,0,1]=4 7910 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [0,2,0,0,0,0|1,0,1]=4 7911 B10R0.74 CCCCCOCC(O)CO 34a_100000210253_100011219619 [0,2,0,0,0,0|0,0,2]=4 7912 B10R0.74 CCCCCOCC(O)CO 7a_100000210253_100011219619 [0,2,0,0,0,0|0,0,2]=4 7913 B10R0.74 CCCCCOC[C@@H](C)CO 34a_100000210253_100000059175 [0,2,0,0,0,0|1,0,1]=4 7914 B10R0.74 CCCCCOC[C@@H](C)CO 7a_100000210253_100000059175 [0,2,0,0,0,0|1,0,1]=4 7915 B10R0.74 CCCCCOC[C@@H](O)CF 34a_100000210253_100015614560 [0,2,0,0,0,0|1,0,1]=4 7916 B10R0.74 CCCCCOC[C@@H](O)CF 7a_100000210253_100015614560 [0,2,0,0,0,0|1,0,1]=4 7917 B10R0.74 CCCCCOC[C@@H](O)CO 34a_100000210253_100009815848 [0,2,0,0,0,0|0,0,2]=4 7918 B10R0.74 CCCCCOC[C@@H](O)CO 7a_100000210253_100009815848 [0,2,0,0,0,0|0,0,2]=4 7919 B10R0.74 CCCCCSCC(=O)CC 62a_100000210326_100000747405 [0,2,0,0,0,0|1,0,0]=3 7920 B10R0.74 CCCCCSCC(=O)CC 62a_100000747405_100000210326 [0,2,0,0,0,0|1,0,0]=3 7921 B10R0.74 CCCCCSCC(=O)NC 62a_100000183359_100000210326 [0,2,0,0,0,0|1,0,0]=3 7922 B10R0.74 CCCCCSCC(=O)NC 62a_100000210326_100000183359 [0,2,0,0,0,0|1,0,0]=3 7923 B10R0.74 CCCCCSCC(=O)OC 62a_100000210326_100000747449 [0,2,0,0,0,0|0,0,0]=2 7924 B10R0.74 CCCCCSCC(=O)OC 62a_100000747449_100000210326 [0,2,0,0,0,0|0,0,0]=2 7925 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [0,2,0,0,0,0|1,0,1]=4 7926 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [0,2,0,0,0,0|1,0,1]=4 7927 B10R0.74 CCCCCSCC(O)CO 62a_100000210326_100011219619 [0,2,0,0,0,0|0,0,2]=4 7928 B10R0.74 CCCCCSCC(O)CO 62a_100011219619_100000210326 [0,2,0,0,0,0|0,0,2]=4 7929 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000059175_100000210326 [0,2,0,0,0,0|1,0,1]=4 7930 B10R0.74 CCCCCSC[C@@H](C)CO 62a_100000210326_100000059175 [0,2,0,0,0,0|1,0,1]=4 7931 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100000210326_100015614560 [0,2,0,0,0,0|1,0,1]=4 7932 B10R0.74 CCCCCSC[C@@H](O)CF 62a_100015614560_100000210326 [0,2,0,0,0,0|1,0,1]=4 7933 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100000210326_100009815848 [0,2,0,0,0,0|0,0,2]=4 7934 B10R0.74 CCCCCSC[C@@H](O)CO 62a_100009815848_100000210326 [0,2,0,0,0,0|0,0,2]=4 7935 B10R0.74 CCCCNCCC(=O)NC 2230a_100000102301_100000737683 [0,2,0,0,0,0|1,0,0]=3 7936 B10R0.74 CCCCNCCC(=O)NC 2230a_100000738227_100000210211 [0,2,0,0,0,0|1,0,0]=3 7937 B10R0.74 CCCCNCCC(=O)NC 34a_100000738227_100000210210 [0,2,0,0,0,0|1,0,0]=3 7938 B10R0.74 CCCCNCCC(=O)NC 7a_106832991798_100000737683 [0,2,0,0,0,0|1,0,0]=3 7939 B10R0.74 CCCCNCCC(=O)OC 2230a_100000102301_100000204255 [0,2,0,0,0,0|0,0,0]=2 7940 B10R0.74 CCCCNCCC(=O)OC 7a_106832991798_100000204255 [0,2,0,0,0,0|0,0,0]=2 7941 B10R0.74 CCCCNCCC(C)CO 2230a_106354213184_100000210211 [0,2,0,0,0,0|1,0,1]=4 7942 B10R0.74 CCCCNCCC(C)CO 34a_106354213184_100000210210 [0,2,0,0,0,0|1,0,1]=4 7943 B10R0.74 CCCCNN=CC(=O)OC 4a_100025702795_200011823558 [0,2,0,0,0,0|1,0,1]=4 7944 B10R0.74 CCCCOCCC(=NO)N 34a_100000749954_100000210210 [0,2,0,0,0,0|1,0,0]=3 7945 B10R0.74 CCCCOCCC(=O)CC 1458a_100000210414_100000743108 [0,2,0,0,0,0|1,0,0]=3 7946 B10R0.74 CCCCOCCC(=O)CO 1458a_100000210174_100000743108 [0,2,0,0,0,0|0,0,0]=2 7947 B10R0.74 CCCCOCCC(=O)NC 34a_100000210227_100012179268 [0,2,0,0,0,0|1,0,0]=3 7948 B10R0.74 CCCCOCCC(=O)NC 34a_100000754576_100000210210 [0,2,0,0,0,0|1,0,0]=3 7949 B10R0.74 CCCCOCCC(=O)NC 7a_100000210227_100000737683 [0,2,0,0,0,0|1,0,0]=3 7950 B10R0.74 CCCCOCCC(=O)OC 34a_100000210227_100000742370 [0,2,0,0,0,0|0,0,0]=2 7951 B10R0.74 CCCCOCCC(=O)OC 7a_100000210227_100000204255 [0,2,0,0,0,0|0,0,0]=2 7952 B10R0.74 CCCCOCCC(C)OC 7a_100000764861_100000210211 [0,2,0,0,0,0|1,0,1]=4 7953 B10R0.74 CCCCSCCC(=O)NC 62a_100000210211_100000737683 [0,2,0,0,0,0|1,0,0]=3 7954 B10R0.74 CCCCSCCC(=O)NC 62a_100000737683_100000210210 [0,2,0,0,0,0|1,0,0]=3 7955 B10R0.74 CCCCSCCC(=O)OC 62a_100000204255_100000210210 [0,2,0,0,0,0|0,0,0]=2 7956 B10R0.74 CCCCSCCC(=O)OC 62a_100000210211_100000204255 [0,2,0,0,0,0|0,0,0]=2 7957 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,2,0,0,0,0|1,0,0]=3 7958 B10R0.74 CCCNCCCC(=O)NC 2230a_100000740002_100000210303 [0,2,0,0,0,0|1,0,0]=3 7959 B10R0.74 CCCNCCCC(=O)NC 34a_100000740002_100000210303 [0,2,0,0,0,0|1,0,0]=3 7960 B10R0.74 CCCNCCNC(=O)CC 34a_100132302217_100000210303 [0,2,0,0,0,0|2,0,0]=4 7961 B10R0.74 CCCNCCNC(=O)NC 34a_100015205895_100000210303 [0,2,0,0,0,0|2,0,0]=4 7962 B10R0.74 CCCNN=CCC(=O)OC 4a_100000740057_200011552997 [0,2,0,0,0,0|1,0,1]=4 7963 B10R0.74 CCCOC/C=C/C(=O)OC 34a_100000210258_100000742655 [0,2,0,0,0,0|0,0,2]=4 7964 B10R0.74 CCCOCCCC(=O)NC 34a_100000210258_100000741757 [0,2,0,0,0,0|1,0,0]=3 7965 B10R0.74 CCCOCCCC(=O)NN 34a_100000211488_100000210303 [0,2,0,0,0,0|1,0,0]=3 7966 B10R0.74 CCCOCCCC(=O)OC 34a_100000210258_100000742333 [0,2,0,0,0,0|0,0,0]=2 7967 B10R0.74 CCCOCCNC(=O)CC 1626a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 7968 B10R0.74 CCCOCCNC(=O)CC 240690a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 7969 B10R0.74 CCCOCCNC(=O)CC 34a_200000158885_100000210303 [0,2,0,0,0,0|2,0,0]=4 7970 B10R0.74 CCCOCCNC(=O)CC 527a_100161115042_100000210414 [0,2,0,0,0,0|2,0,0]=4 7971 B10R0.74 CCCOCCNC(=O)CC 7a_200000158885_100000210303 [0,2,0,0,0,0|2,0,0]=4 7972 B10R0.74 CCCOCCNC(=O)CO 240690a_100161115042_100000210174 [0,2,0,0,0,0|1,0,0]=3 7973 B10R0.74 CCCOCCNC(=O)CO 527a_100161115042_100000210174 [0,2,0,0,0,0|1,0,0]=3 7974 B10R0.74 CCCOCCNC(=O)NC 2708a_100102657272_100161115042 [0,2,0,0,0,0|2,0,0]=4 7975 B10R0.74 CCCOCCNC(=O)NC 2708a_100161115042_106832991635 [0,2,0,0,0,0|2,0,0]=4 7976 B10R0.74 CCCOCCNC(=O)NC 273464a_100102657272_100161115042 [0,2,0,0,0,0|2,0,0]=4 7977 B10R0.74 CCCOCCNC(=O)NC 273464a_100161115042_100102657272 [0,2,0,0,0,0|2,0,0]=4 7978 B10R0.74 CCCOCCNC(=O)NC 512a_100161115042_100102657272 [0,2,0,0,0,0|2,0,0]=4 7979 B10R0.74 CCCOCCNC(=O)NC 512a_106832991638_100161115042 [0,2,0,0,0,0|2,0,0]=4 7980 B10R0.74 CCCOCCNC(=O)OC 34a_100000757965_100000210303 [0,2,0,0,0,0|1,0,0]=3 7981 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,2,0,0,0,0|2,0,0]=4 7982 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,2,0,0,0,0|2,0,0]=4 7983 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,2,0,0,0,0|1,0,0]=3 7984 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000210303_100000742655 [0,2,0,0,0,0|0,0,2]=4 7985 B10R0.74 CCCSC/C=C/C(=O)OC 62a_100000742655_100000210303 [0,2,0,0,0,0|0,0,2]=4 7986 B10R0.74 CCCSCCCC(=O)NC 62a_100000210303_100000741757 [0,2,0,0,0,0|1,0,0]=3 7987 B10R0.74 CCCSCCCC(=O)NC 62a_100000741757_100000210303 [0,2,0,0,0,0|1,0,0]=3 7988 B10R0.74 CCCSCCCC(=O)OC 62a_100000210303_100011218270 [0,2,0,0,0,0|0,0,0]=2 7989 B10R0.74 CCCSCCCC(=O)OC 62a_100011218270_100000210303 [0,2,0,0,0,0|0,0,0]=2 7990 B10R0.74 CCCSCCNC(=O)CC 11a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 7991 B10R0.74 CCCSCCNC(=O)CC 240690a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 7992 B10R0.74 CCCSCCNC(=O)CC 527a_100020603323_100000210414 [0,2,0,0,0,0|2,0,0]=4 7993 B10R0.74 CCCSCCNC(=O)CO 240690a_100020603323_100000210174 [0,2,0,0,0,0|1,0,0]=3 7994 B10R0.74 CCCSCCNC(=O)CO 527a_100020603323_100000210174 [0,2,0,0,0,0|1,0,0]=3 7995 B10R0.74 CCCSCCNC(=O)NC 2708a_100020603323_106832991635 [0,2,0,0,0,0|2,0,0]=4 7996 B10R0.74 CCCSCCNC(=O)NC 2708a_100102657272_100020603323 [0,2,0,0,0,0|2,0,0]=4 7997 B10R0.74 CCCSCCNC(=O)NC 273464a_100020603323_100102657272 [0,2,0,0,0,0|2,0,0]=4 7998 B10R0.74 CCCSCCNC(=O)NC 273464a_100102657272_100020603323 [0,2,0,0,0,0|2,0,0]=4 7999 B10R0.74 CCCSCCNC(=O)NC 512a_100020603323_100102657272 [0,2,0,0,0,0|2,0,0]=4 8000 B10R0.74 CCCSCCNC(=O)NC 512a_106832991638_100020603323 [0,2,0,0,0,0|2,0,0]=4 8001 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,2,0,0,0,0|2,0,0]=4 8002 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,2,0,0,0,0|2,0,0]=4 8003 B10R0.74 CCNCCCCC(=O)OC 2230a_100015525214_100000204269 [0,2,0,0,0,0|0,0,0]=2 8004 B10R0.74 CCNCCOCC(=O)OC 2230a_100015525214_100000090808 [0,2,0,0,0,0|1,0,0]=3 8005 B10R0.74 CCNN=CCCC(=O)OC 4a_100000756455_100012047195 [0,2,0,0,0,0|1,0,1]=4 8006 B10R0.74 CCOCCCCC(=O)OC 34a_100000059025_100000210202 [0,2,0,0,0,0|0,0,0]=2 8007 B10R0.74 CCOCCCCC(=O)OC 34a_100121572206_100000204269 [0,2,0,0,0,0|0,0,0]=2 8008 B10R0.74 CCOCCCCC(=O)OC 7a_100000059025_100000210202 [0,2,0,0,0,0|0,0,0]=2 8009 B10R0.74 CCOCCCNC(=O)CC 11a_100000210961_100000210414 [0,2,0,0,0,0|2,0,0]=4 8010 B10R0.74 CCOCCCNC(=O)CC 1626a_100000210961_100000210414 [0,2,0,0,0,0|2,0,0]=4 8011 B10R0.74 CCOCCCNC(=O)CC 240690a_100000210961_100000210414 [0,2,0,0,0,0|2,0,0]=4 8012 B10R0.74 CCOCCCNC(=O)CC 527a_100000210961_100000210414 [0,2,0,0,0,0|2,0,0]=4 8013 B10R0.74 CCOCCCNC(=O)CO 240690a_100000210961_100000210174 [0,2,0,0,0,0|1,0,0]=3 8014 B10R0.74 CCOCCCNC(=O)CO 527a_100000210961_100000210174 [0,2,0,0,0,0|1,0,0]=3 8015 B10R0.74 CCOCCCNC(=O)NC 2708a_100000210961_106832991635 [0,2,0,0,0,0|2,0,0]=4 8016 B10R0.74 CCOCCCNC(=O)NC 2708a_100102657272_100000210961 [0,2,0,0,0,0|2,0,0]=4 8017 B10R0.74 CCOCCCNC(=O)NC 273464a_100000210961_100102657272 [0,2,0,0,0,0|2,0,0]=4 8018 B10R0.74 CCOCCCNC(=O)NC 273464a_100102657272_100000210961 [0,2,0,0,0,0|2,0,0]=4 8019 B10R0.74 CCOCCCNC(=O)NC 512a_100000210961_100102657272 [0,2,0,0,0,0|2,0,0]=4 8020 B10R0.74 CCOCCCNC(=O)NC 512a_106832991638_100000210961 [0,2,0,0,0,0|2,0,0]=4 8021 B10R0.74 CCOCCNCC(=O)NC 2230a_100000693194_100011215890 [0,2,0,0,0,0|2,0,0]=4 8022 B10R0.74 CCOCCNCC(=O)NC 2230a_102516460346_100000183359 [0,2,0,0,0,0|2,0,0]=4 8023 B10R0.74 CCOCCNCC(=O)NC 34a_102516460346_100000183359 [0,2,0,0,0,0|2,0,0]=4 8024 B10R0.74 CCOCCNCC(=O)OC 2230a_102516460346_100000747449 [0,2,0,0,0,0|1,0,0]=3 8025 B10R0.74 CCOCCNCC(=O)OC 34a_102516460346_100000747449 [0,2,0,0,0,0|1,0,0]=3 8026 B10R0.74 CCOCCNNC(=O)CO 22a_100000732670_100000210174 [0,2,0,0,0,0|2,0,0]=4 8027 B10R0.74 CCOCCOCC(=O)CC 34a_100000725409_100000210147 [0,2,0,0,0,0|2,0,0]=4 8028 B10R0.74 CCOCCOCC(=O)CC 7a_100000210136_100000747405 [0,2,0,0,0,0|2,0,0]=4 8029 B10R0.74 CCOCCOCC(=O)NC 34a_100000210136_100000183359 [0,2,0,0,0,0|2,0,0]=4 8030 B10R0.74 CCOCCOCC(=O)NC 34a_100000750040_100000210147 [0,2,0,0,0,0|2,0,0]=4 8031 B10R0.74 CCOCCOCC(=O)NC 7a_100000210136_100000183359 [0,2,0,0,0,0|2,0,0]=4 8032 B10R0.74 CCOCCOCC(=O)OC 34a_100000210136_100000747449 [0,2,0,0,0,0|1,0,0]=3 8033 B10R0.74 CCOCCOCC(=O)OC 34a_100121572206_100000090808 [0,2,0,0,0,0|1,0,0]=3 8034 B10R0.74 CCOCCOCC(=O)OC 7a_100000210136_100000747449 [0,2,0,0,0,0|1,0,0]=3 8035 B10R0.74 CCOCCSCC(=O)CC 62a_100000210147_100000747405 [0,2,0,0,0,0|2,0,0]=4 8036 B10R0.74 CCOCCSCC(=O)CC 62a_100000747405_100011215890 [0,2,0,0,0,0|2,0,0]=4 8037 B10R0.74 CCOCCSCC(=O)NC 62a_100000183359_100011215890 [0,2,0,0,0,0|2,0,0]=4 8038 B10R0.74 CCOCCSCC(=O)NC 62a_100000210147_100000183359 [0,2,0,0,0,0|2,0,0]=4 8039 B10R0.74 CCOCCSCC(=O)OC 62a_100000210147_100000747449 [0,2,0,0,0,0|1,0,0]=3 8040 B10R0.74 CCOCCSCC(=O)OC 62a_100000747449_100011215890 [0,2,0,0,0,0|1,0,0]=3 8041 B10R0.74 CCOCSCCC(=O)NC 62a_100000737683_100000739092 [0,2,0,0,0,0|2,0,0]=4 8042 B10R0.74 CCOCSCCC(=O)NC 62a_100000739092_100000737683 [0,2,0,0,0,0|2,0,0]=4 8043 B10R0.74 CCOCSCCC(=O)OC 62a_100000204255_100000739092 [0,2,0,0,0,0|1,0,0]=3 8044 B10R0.74 CCOCSCCC(=O)OC 62a_100000739092_100000204255 [0,2,0,0,0,0|1,0,0]=3 8045 B10R0.74 CCOCSCOC(=O)OC 62a_100000739092_100000139417 [0,2,0,0,0,0|2,0,0]=4 8046 B10R0.74 CCSCCCCC(=O)OC 62a_100000204269_100000210202 [0,2,0,0,0,0|0,0,0]=2 8047 B10R0.74 CCSCCCCC(=O)OC 62a_100000210202_100000204269 [0,2,0,0,0,0|0,0,0]=2 8048 B10R0.74 CCSCCNCC(=O)NC 2230a_100000106463_100000183359 [0,2,0,0,0,0|2,0,0]=4 8049 B10R0.74 CCSCCNCC(=O)NC 2230a_100000693194_100000757381 [0,2,0,0,0,0|2,0,0]=4 8050 B10R0.74 CCSCCNCC(=O)OC 2230a_100000106463_100000747449 [0,2,0,0,0,0|1,0,0]=3 8051 B10R0.74 CCSCCOCC(=O)CC 34a_100000725409_100000757381 [0,2,0,0,0,0|2,0,0]=4 8052 B10R0.74 CCSCCOCC(=O)CC 7a_100000212035_100000747405 [0,2,0,0,0,0|2,0,0]=4 8053 B10R0.74 CCSCCOCC(=O)NC 34a_100000212035_100000183359 [0,2,0,0,0,0|2,0,0]=4 8054 B10R0.74 CCSCCOCC(=O)NC 34a_100000750040_100000757381 [0,2,0,0,0,0|2,0,0]=4 8055 B10R0.74 CCSCCOCC(=O)NC 7a_100000212035_100000183359 [0,2,0,0,0,0|2,0,0]=4 8056 B10R0.74 CCSCCOCC(=O)OC 34a_100000212035_100000747449 [0,2,0,0,0,0|1,0,0]=3 8057 B10R0.74 CCSCCOCC(=O)OC 62a_100000090808_100000210202 [0,2,0,0,0,0|1,0,0]=3 8058 B10R0.74 CCSCCOCC(=O)OC 62a_100000210202_100000090808 [0,2,0,0,0,0|1,0,0]=3 8059 B10R0.74 CCSCCOCC(=O)OC 7a_100000212035_100000747449 [0,2,0,0,0,0|1,0,0]=3 8060 B10R0.74 CCSCCSCC(=O)CC 62a_100000747405_100000757381 [0,2,0,0,0,0|2,0,0]=4 8061 B10R0.74 CCSCCSCC(=O)CC 62a_100000757381_100000747405 [0,2,0,0,0,0|2,0,0]=4 8062 B10R0.74 CCSCCSCC(=O)NC 62a_100000183359_100000757381 [0,2,0,0,0,0|2,0,0]=4 8063 B10R0.74 CCSCCSCC(=O)NC 62a_100000757381_100000183359 [0,2,0,0,0,0|2,0,0]=4 8064 B10R0.74 CCSCCSCC(=O)OC 62a_100000747449_100000757381 [0,2,0,0,0,0|1,0,0]=3 8065 B10R0.74 CCSCCSCC(=O)OC 62a_100000757381_100000747449 [0,2,0,0,0,0|1,0,0]=3 8066 B10R0.74 CNC(=O)CCCCCCO 240690a_100102657272_100011996774 [0,2,0,0,0,0|1,0,0]=3 8067 B10R0.74 CNC(=O)CCCCCOC 11a_106832991635_100011935119 [0,2,0,0,0,0|1,0,0]=3 8068 B10R0.74 CNC(=O)CCCCCOC 1626a_100102657272_100011935119 [0,2,0,0,0,0|1,0,0]=3 8069 B10R0.74 CNC(=O)CCCCCOC 240690a_100102657272_100011935119 [0,2,0,0,0,0|1,0,0]=3 8070 B10R0.74 CNC(=O)CCCCCOC 527a_100102657272_100011935119 [0,2,0,0,0,0|1,0,0]=3 8071 B10R0.74 CNC(=O)CCCNCCF 2230a_100000740002_100011217306 [0,2,0,0,0,0|2,0,0]=4 8072 B10R0.74 CNC(=O)CCCNCCF 34a_100000724931_100000741757 [0,2,0,0,0,0|2,0,0]=4 8073 B10R0.74 CNC(=O)CCCNCCF 34a_100000740002_100011217306 [0,2,0,0,0,0|2,0,0]=4 8074 B10R0.74 CNC(=O)CCCNCCO 2230a_100000740002_100000211926 [0,2,0,0,0,0|2,0,0]=4 8075 B10R0.74 CNC(=O)CCCNCCO 2230a_100016997473_100000741757 [0,2,0,0,0,0|2,0,0]=4 8076 B10R0.74 CNC(=O)CCCNCCO 34a_100000740002_100000211926 [0,2,0,0,0,0|2,0,0]=4 8077 B10R0.74 CNC(=O)CCCNCCO 34a_100016990907_100000741757 [0,2,0,0,0,0|2,0,0]=4 8078 B10R0.74 CNC(=O)CCCNCOC 2230a_100000740002_100000766300 [0,2,0,0,0,0|2,0,0]=4 8079 B10R0.74 CNC(=O)CCCNCSC 2230a_100000740002_100011218213 [0,2,0,0,0,0|2,0,0]=4 8080 B10R0.74 CNC(=O)CCCNCSC 34a_100000740002_100011218213 [0,2,0,0,0,0|2,0,0]=4 8081 B10R0.74 CNC(=O)CCCOCCBr 34a_100000211926_100000741757 [0,2,0,0,0,0|2,0,0]=4 8082 B10R0.74 CNC(=O)CCCOCCN 34a_100000210304_100000741757 [0,2,0,0,0,0|2,0,0]=4 8083 B10R0.74 CNC(=O)CCCSCCF 62a_100000741757_100011217306 [0,2,0,0,0,0|2,0,0]=4 8084 B10R0.74 CNC(=O)CCCSCCF 62a_100011217306_100000741757 [0,2,0,0,0,0|2,0,0]=4 8085 B10R0.74 CNC(=O)CCCSCCO 62a_100000211926_100000741757 [0,2,0,0,0,0|2,0,0]=4 8086 B10R0.74 CNC(=O)CCCSCCO 62a_100000741757_100000211926 [0,2,0,0,0,0|2,0,0]=4 8087 B10R0.74 CNC(=O)CCCSCOC 62a_100000741757_100000766300 [0,2,0,0,0,0|2,0,0]=4 8088 B10R0.74 CNC(=O)CCCSCOC 62a_100000766300_100000741757 [0,2,0,0,0,0|2,0,0]=4 8089 B10R0.74 CNC(=O)CCCSCSC 62a_100000741757_100011218213 [0,2,0,0,0,0|2,0,0]=4 8090 B10R0.74 CNC(=O)CCCSCSC 62a_100011218213_100000741757 [0,2,0,0,0,0|2,0,0]=4 8091 B10R0.74 CNC(=O)CCNCCCF 2230a_100000738227_100011934791 [0,2,0,0,0,0|2,0,0]=4 8092 B10R0.74 CNC(=O)CCNCCCF 2230a_100015189416_100000737683 [0,2,0,0,0,0|2,0,0]=4 8093 B10R0.74 CNC(=O)CCNCCCF 34a_100000738227_100011934791 [0,2,0,0,0,0|2,0,0]=4 8094 B10R0.74 CNC(=O)CCNCCCF 34a_100015189416_100012179268 [0,2,0,0,0,0|2,0,0]=4 8095 B10R0.74 CNC(=O)CCNCCCO 2230a_100000738227_100000230001 [0,2,0,0,0,0|2,0,0]=4 8096 B10R0.74 CNC(=O)CCNCCCO 34a_100000738227_100000230001 [0,2,0,0,0,0|2,0,0]=4 8097 B10R0.74 CNC(=O)CCNCCOC 2230a_100000209980_100000737683 [0,2,0,0,0,0|2,0,0]=4 8098 B10R0.74 CNC(=O)CCNCCOC 2230a_100000738227_100011201679 [0,2,0,0,0,0|2,0,0]=4 8099 B10R0.74 CNC(=O)CCNCCOC 34a_100000738227_100011201679 [0,2,0,0,0,0|2,0,0]=4 8100 B10R0.74 CNC(=O)CCNCCSC 2230a_100000738227_100000751147 [0,2,0,0,0,0|2,0,0]=4 8101 B10R0.74 CNC(=O)CCNCCSC 2230a_100020590264_100000737683 [0,2,0,0,0,0|2,0,0]=4 8102 B10R0.74 CNC(=O)CCNCCSC 34a_100000738227_100000212216 [0,2,0,0,0,0|2,0,0]=4 8103 B10R0.74 CNC(=O)CCOCCCBr 34a_100011217188_100012179268 [0,2,0,0,0,0|2,0,0]=4 8104 B10R0.74 CNC(=O)CCOCCCCl 34a_100000230001_100012179268 [0,2,0,0,0,0|2,0,0]=4 8105 B10R0.74 CNC(=O)CCOCCCF 34a_100000754576_100011934791 [0,2,0,0,0,0|2,0,0]=4 8106 B10R0.74 CNC(=O)CCOCCCF 34a_100000759539_100012179268 [0,2,0,0,0,0|2,0,0]=4 8107 B10R0.74 CNC(=O)CCOCCCN 34a_100000182051_100012179268 [0,2,0,0,0,0|2,0,0]=4 8108 B10R0.74 CNC(=O)CCOCCCO 34a_100000754576_100000230001 [0,2,0,0,0,0|2,0,0]=4 8109 B10R0.74 CNC(=O)CCOCCOC 11a_106832991635_100000745395 [0,2,0,0,0,0|2,0,0]=4 8110 B10R0.74 CNC(=O)CCOCCOC 1626a_100102657272_100000745395 [0,2,0,0,0,0|2,0,0]=4 8111 B10R0.74 CNC(=O)CCOCCOC 240690a_100102657272_100000745395 [0,2,0,0,0,0|2,0,0]=4 8112 B10R0.74 CNC(=O)CCOCCOC 34a_100000210237_100012179268 [0,2,0,0,0,0|2,0,0]=4 8113 B10R0.74 CNC(=O)CCOCCOC 34a_100000754576_100011201679 [0,2,0,0,0,0|2,0,0]=4 8114 B10R0.74 CNC(=O)CCOCCOC 527a_100102657272_100000745395 [0,2,0,0,0,0|2,0,0]=4 8115 B10R0.74 CNC(=O)CCOCCSC 34a_100000230434_100012179268 [0,2,0,0,0,0|2,0,0]=4 8116 B10R0.74 CNC(=O)CCOCCSC 34a_100000754576_100000212216 [0,2,0,0,0,0|2,0,0]=4 8117 B10R0.74 CNC(=O)CCOCCSC 7a_100000230434_100000737683 [0,2,0,0,0,0|2,0,0]=4 8118 B10R0.74 CNC(=O)CCSCCCF 62a_100000737683_100011934791 [0,2,0,0,0,0|2,0,0]=4 8119 B10R0.74 CNC(=O)CCSCCCF 62a_100011934791_100000737683 [0,2,0,0,0,0|2,0,0]=4 8120 B10R0.74 CNC(=O)CCSCCCO 62a_100000737683_100011215043 [0,2,0,0,0,0|2,0,0]=4 8121 B10R0.74 CNC(=O)CCSCCCO 62a_100011215043_100000737683 [0,2,0,0,0,0|2,0,0]=4 8122 B10R0.74 CNC(=O)CCSCCOC 62a_100000233755_100000737683 [0,2,0,0,0,0|2,0,0]=4 8123 B10R0.74 CNC(=O)CCSCCOC 62a_100000737683_100000233755 [0,2,0,0,0,0|2,0,0]=4 8124 B10R0.74 CNC(=O)CCSCCSC 62a_100000212216_100000737683 [0,2,0,0,0,0|2,0,0]=4 8125 B10R0.74 CNC(=O)CCSCCSC 62a_100000737683_100000751147 [0,2,0,0,0,0|2,0,0]=4 8126 B10R0.74 CNC(=O)CNCCCCF 2230a_100000693194_100000729493 [0,2,0,0,0,0|2,0,0]=4 8127 B10R0.74 CNC(=O)CNCCCCO 2230a_100000693194_100000210776 [0,2,0,0,0,0|2,0,0]=4 8128 B10R0.74 CNC(=O)CNCCCCO 2230a_100000750430_100000183359 [0,2,0,0,0,0|2,0,0]=4 8129 B10R0.74 CNC(=O)CNCCCCO 34a_100000750430_100000183359 [0,2,0,0,0,0|2,0,0]=4 8130 B10R0.74 CNC(=O)CNCCCOC 2230a_100000693194_100000740836 [0,2,0,0,0,0|2,0,0]=4 8131 B10R0.74 CNC(=O)CNCCCOC 34a_100150723488_100000183359 [0,2,0,0,0,0|2,0,0]=4 8132 B10R0.74 CNC(=O)CNCCCSC 2230a_100000749238_100000183359 [0,2,0,0,0,0|2,0,0]=4 8133 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,2,0,0,0,0|2,0,0]=4 8134 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,2,0,0,0,0|2,0,0]=4 8135 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,2,0,0,0,0|2,0,0]=4 8136 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,2,0,0,0,0|2,0,0]=4 8137 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,2,0,0,0,0|2,0,0]=4 8138 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,2,0,0,0,0|2,0,0]=4 8139 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,2,0,0,0,0|2,0,0]=4 8140 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,2,0,0,0,0|2,0,0]=4 8141 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,2,0,0,0,0|2,0,0]=4 8142 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,2,0,0,0,0|2,0,0]=4 8143 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,2,0,0,0,0|2,0,0]=4 8144 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,2,0,0,0,0|2,0,0]=4 8145 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,2,0,0,0,0|2,0,0]=4 8146 B10R0.74 CNC(=O)CSCCCCF 62a_100000183359_100000729493 [0,2,0,0,0,0|2,0,0]=4 8147 B10R0.74 CNC(=O)CSCCCCF 62a_100000729493_100000183359 [0,2,0,0,0,0|2,0,0]=4 8148 B10R0.74 CNC(=O)CSCCCCO 62a_100000183359_100000210776 [0,2,0,0,0,0|2,0,0]=4 8149 B10R0.74 CNC(=O)CSCCCCO 62a_100000210776_100000183359 [0,2,0,0,0,0|2,0,0]=4 8150 B10R0.74 CNC(=O)CSCCCOC 62a_100000183359_100000709357 [0,2,0,0,0,0|2,0,0]=4 8151 B10R0.74 CNC(=O)CSCCCOC 62a_100000709357_100000183359 [0,2,0,0,0,0|2,0,0]=4 8152 B10R0.74 CNC(=O)NCCCCCO 2708a_100102657272_100000762737 [0,2,0,0,0,0|2,0,0]=4 8153 B10R0.74 CNC(=O)NCCCCCO 273464a_100000762737_100102657272 [0,2,0,0,0,0|2,0,0]=4 8154 B10R0.74 CNC(=O)NCCCCCO 273464a_100102657272_100000762737 [0,2,0,0,0,0|2,0,0]=4 8155 B10R0.74 CNC(=O)NCCCCCO 512a_100000762737_100102657272 [0,2,0,0,0,0|2,0,0]=4 8156 B10R0.74 CNC(=O)NCCCCCO 512a_106832991638_100000762737 [0,2,0,0,0,0|2,0,0]=4 8157 B10R0.74 CNCCCCCC(=O)OC 2230a_106832991635_100009816466 [0,2,0,0,0,0|0,0,0]=2 8158 B10R0.74 CNCCCCCC(=O)OC 34a_100102657272_100009816466 [0,2,0,0,0,0|0,0,0]=2 8159 B10R0.74 CNCCCCCC(=O)OC 7a_106832991635_100009816466 [0,2,0,0,0,0|0,0,0]=2 8160 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,2,0,0,0,0|2,0,0]=4 8161 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,2,0,0,0,0|1,0,0]=3 8162 B10R0.74 COC(=O)CCCCCO[13CH3] 34a_100000074720_200025704644 [0,2,0,0,0,0|0,0,0]=2 8163 B10R0.74 COC(=O)CCCCCO[13CH3] 7a_100000074720_200025704644 [0,2,0,0,0,0|0,0,0]=2 8164 B10R0.74 COC(=O)CCCCCSC 62a_100009816466_200000210301 [0,2,0,0,0,0|0,0,0]=2 8165 B10R0.74 COC(=O)CCCCCSC 62a_200000210301_100009816466 [0,2,0,0,0,0|0,0,0]=2 8166 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_100009816466_200025704644 [0,2,0,0,0,0|0,0,0]=2 8167 B10R0.74 COC(=O)CCCCCS[13CH3] 62a_200025704644_100009816466 [0,2,0,0,0,0|0,0,0]=2 8168 B10R0.74 COC(=O)CCCCOCF 34a_100000059025_100015361967 [0,2,0,0,0,0|1,0,0]=3 8169 B10R0.74 COC(=O)CCCCOCF 7a_100000059025_100015361967 [0,2,0,0,0,0|1,0,0]=3 8170 B10R0.74 COC(=O)CCCCSCF 62a_100000204269_100015361967 [0,2,0,0,0,0|1,0,0]=3 8171 B10R0.74 COC(=O)CCCCSCF 62a_100015361967_100000204269 [0,2,0,0,0,0|1,0,0]=3 8172 B10R0.74 COC(=O)CCCNCCF 34a_100000724931_100000742333 [0,2,0,0,0,0|1,0,0]=3 8173 B10R0.74 COC(=O)CCCNCCO 2230a_100016997473_100011218270 [0,2,0,0,0,0|1,0,0]=3 8174 B10R0.74 COC(=O)CCCNCCO 34a_100016990907_100000742333 [0,2,0,0,0,0|1,0,0]=3 8175 B10R0.74 COC(=O)CCCOCCBr 34a_100000211926_100000742333 [0,2,0,0,0,0|1,0,0]=3 8176 B10R0.74 COC(=O)CCCOCCN 34a_100000210304_100000742333 [0,2,0,0,0,0|1,0,0]=3 8177 B10R0.74 COC(=O)CCCSCC#N 62a_100011215382_100011218270 [0,2,0,0,0,0|1,0,1]=4 8178 B10R0.74 COC(=O)CCCSCC#N 62a_100011218270_100011215382 [0,2,0,0,0,0|1,0,1]=4 8179 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [0,2,0,0,0,0|1,0,1]=4 8180 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [0,2,0,0,0,0|1,0,1]=4 8181 B10R0.74 COC(=O)CCCSCCF 62a_100011217306_100011218270 [0,2,0,0,0,0|1,0,0]=3 8182 B10R0.74 COC(=O)CCCSCCF 62a_100011218270_100011217306 [0,2,0,0,0,0|1,0,0]=3 8183 B10R0.74 COC(=O)CCCSCCO 62a_100000211926_100011218270 [0,2,0,0,0,0|1,0,0]=3 8184 B10R0.74 COC(=O)CCCSCCO 62a_100011218270_100000211926 [0,2,0,0,0,0|1,0,0]=3 8185 B10R0.74 COC(=O)CCCSCSC 62a_100011218213_100011218270 [0,2,0,0,0,0|1,0,0]=3 8186 B10R0.74 COC(=O)CCCSCSC 62a_100011218270_100011218213 [0,2,0,0,0,0|1,0,0]=3 8187 B10R0.74 COC(=O)CCNCCCF 2230a_100015189416_100000204255 [0,2,0,0,0,0|1,0,0]=3 8188 B10R0.74 COC(=O)CCNCCCF 34a_100015189416_100000742370 [0,2,0,0,0,0|1,0,0]=3 8189 B10R0.74 COC(=O)CCNCCSC 2230a_100020590264_100000204255 [0,2,0,0,0,0|1,0,0]=3 8190 B10R0.74 COC(=O)CCOCCCBr 34a_100011217188_100000742370 [0,2,0,0,0,0|1,0,0]=3 8191 B10R0.74 COC(=O)CCOCCCCl 34a_100000230001_100000742370 [0,2,0,0,0,0|1,0,0]=3 8192 B10R0.74 COC(=O)CCOCCCF 34a_100000759539_100000742370 [0,2,0,0,0,0|1,0,0]=3 8193 B10R0.74 COC(=O)CCOCCCN 34a_100000182051_100000742370 [0,2,0,0,0,0|1,0,0]=3 8194 B10R0.74 COC(=O)CCOCCON 34a_100000700252_100000742370 [0,2,0,0,0,0|2,0,0]=4 8195 B10R0.74 COC(=O)CCOCCSC 34a_100000230434_100000742370 [0,2,0,0,0,0|1,0,0]=3 8196 B10R0.74 COC(=O)CCOCCSC 7a_100000230434_100000204255 [0,2,0,0,0,0|1,0,0]=3 8197 B10R0.74 COC(=O)CCSCCC#N 62a_100000204255_100011215226 [0,2,0,0,0,0|1,0,1]=4 8198 B10R0.74 COC(=O)CCSCCC#N 62a_100011215226_100000204255 [0,2,0,0,0,0|1,0,1]=4 8199 B10R0.74 COC(=O)CCSCCCF 62a_100000204255_100011934791 [0,2,0,0,0,0|1,0,0]=3 8200 B10R0.74 COC(=O)CCSCCCF 62a_100011934791_100000204255 [0,2,0,0,0,0|1,0,0]=3 8201 B10R0.74 COC(=O)CCSCCCO 62a_100000204255_100011215043 [0,2,0,0,0,0|1,0,0]=3 8202 B10R0.74 COC(=O)CCSCCCO 62a_100011215043_100000204255 [0,2,0,0,0,0|1,0,0]=3 8203 B10R0.74 COC(=O)CCSCCSC 62a_100000204255_100000751147 [0,2,0,0,0,0|1,0,0]=3 8204 B10R0.74 COC(=O)CCSCCSC 62a_100000212216_100000204255 [0,2,0,0,0,0|1,0,0]=3 8205 B10R0.74 COC(=O)CNCCCCO 2230a_100000750430_100000747449 [0,2,0,0,0,0|1,0,0]=3 8206 B10R0.74 COC(=O)CNCCCCO 34a_100000750430_100000747449 [0,2,0,0,0,0|1,0,0]=3 8207 B10R0.74 COC(=O)CNCCCSC 2230a_100000749238_100000747449 [0,2,0,0,0,0|1,0,0]=3 8208 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,2,0,0,0,0|1,0,0]=3 8209 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,2,0,0,0,0|1,0,0]=3 8210 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,2,0,0,0,0|1,0,0]=3 8211 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,2,0,0,0,0|1,0,0]=3 8212 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,2,0,0,0,0|1,0,0]=3 8213 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,2,0,0,0,0|1,0,0]=3 8214 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,2,0,0,0,0|1,0,0]=3 8215 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,2,0,0,0,0|1,0,0]=3 8216 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,2,0,0,0,0|1,0,0]=3 8217 B10R0.74 COC(=O)COCCSCF 62a_100000090808_100015361967 [0,2,0,0,0,0|2,0,0]=4 8218 B10R0.74 COC(=O)COCCSCF 62a_100015361967_100000090808 [0,2,0,0,0,0|2,0,0]=4 8219 B10R0.74 COC(=O)CSCCCC#N 62a_100000687738_100000747449 [0,2,0,0,0,0|1,0,1]=4 8220 B10R0.74 COC(=O)CSCCCC#N 62a_100000747449_100000687738 [0,2,0,0,0,0|1,0,1]=4 8221 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,2,0,0,0,0|1,0,1]=4 8222 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,2,0,0,0,0|1,0,1]=4 8223 B10R0.74 COC(=O)CSCCCCF 62a_100000729493_100000747449 [0,2,0,0,0,0|1,0,0]=3 8224 B10R0.74 COC(=O)CSCCCCF 62a_100000747449_100000729493 [0,2,0,0,0,0|1,0,0]=3 8225 B10R0.74 COC(=O)CSCCCCO 62a_100000210776_100000747449 [0,2,0,0,0,0|1,0,0]=3 8226 B10R0.74 COC(=O)CSCCCCO 62a_100000747449_100000210776 [0,2,0,0,0,0|1,0,0]=3 8227 B10R0.74 COC(=O)NCCOCCF 34a_100000757965_100011217306 [0,2,0,0,0,0|2,0,0]=4 8228 B10R0.74 COC(=O)NCCOCCO 34a_100000757965_100000211926 [0,2,0,0,0,0|2,0,0]=4 8229 B10R0.74 COC(=O)NCCOCSC 34a_100000757965_100011218213 [0,2,0,0,0,0|2,0,0]=4 8230 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,2,0,0,0,0|2,0,0]=4 8231 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,2,0,0,0,0|2,0,0]=4 8232 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,2,0,0,0,0|2,0,0]=4 8233 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,2,0,0,0,0|2,0,0]=4 8234 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,2,0,0,0,0|2,0,0]=4 8235 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [0,2,0,0,0,0|2,0,0]=4 8236 B10R0.74 COCCCCCC(=O)CF 1458a_100011935119_100015361967 [0,2,0,0,0,0|1,0,0]=3 8237 B10R0.74 COCCCCCC(=O)OC 34a_100000074720_200000210301 [0,2,0,0,0,0|0,0,0]=2 8238 B10R0.74 COCCCCCC(=O)OC 34a_100138415774_100009816466 [0,2,0,0,0,0|0,0,0]=2 8239 B10R0.74 COCCCCCC(=O)OC 7a_100000074720_200000210301 [0,2,0,0,0,0|0,0,0]=2 8240 B10R0.74 COCCCNCC(=O)OC 34a_100150723488_100000747449 [0,2,0,0,0,0|1,0,0]=3 8241 B10R0.74 COCCCNNC(=O)CO 22a_100025702787_100000210174 [0,2,0,0,0,0|2,0,0]=4 8242 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,2,0,0,0,0|1,0,0]=3 8243 B10R0.74 COCCCSCC(=O)OC 62a_100000709357_100000747449 [0,2,0,0,0,0|1,0,0]=3 8244 B10R0.74 COCCCSCC(=O)OC 62a_100000747449_100000709357 [0,2,0,0,0,0|1,0,0]=3 8245 B10R0.74 COCCNCCC(=O)OC 2230a_100000209980_100000204255 [0,2,0,0,0,0|1,0,0]=3 8246 B10R0.74 COCCOCCC(=NO)N 34a_100000749954_100011201679 [0,2,0,0,0,0|2,0,0]=4 8247 B10R0.74 COCCOCCC(=O)CF 1458a_100000745395_100015361967 [0,2,0,0,0,0|2,0,0]=4 8248 B10R0.74 COCCOCCC(=O)CO 1458a_100000210174_100000695917 [0,2,0,0,0,0|1,0,0]=3 8249 B10R0.74 COCCOCCC(=O)OC 34a_100000210237_100000742370 [0,2,0,0,0,0|1,0,0]=3 8250 B10R0.74 COCCSCCC(=O)OC 62a_100000204255_100000233755 [0,2,0,0,0,0|1,0,0]=3 8251 B10R0.74 COCCSCCC(=O)OC 62a_100000233755_100000204255 [0,2,0,0,0,0|1,0,0]=3 8252 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [0,2,0,0,0,0|2,0,0]=4 8253 B10R0.74 COCSCCCC(=O)OC 62a_100000766300_100011218270 [0,2,0,0,0,0|1,0,0]=3 8254 B10R0.74 COCSCCCC(=O)OC 62a_100011218270_100000766300 [0,2,0,0,0,0|1,0,0]=3 8255 B10R0.74 CSCCOCCC(=NO)N 34a_100000749954_100000212216 [0,2,0,0,0,0|2,0,0]=4 8256 B10R0.74 CSCOCCCC(=O)NN 34a_100000211488_100011218213 [0,2,0,0,0,0|2,0,0]=4 8257 B10R0.74 N#CCCCCCC(=O)CO 1458a_100000210174_100009813376 [0,2,0,0,0,0|0,0,1]=3 8258 B10R0.74 N#CCCCCNC(=O)CO 240690a_100000751965_100000210174 [0,2,0,0,0,0|1,0,1]=4 8259 B10R0.74 N#CCCCCNC(=O)CO 527a_100000751965_100000210174 [0,2,0,0,0,0|1,0,1]=4 8260 B10R0.74 NC(=NO)CCOCCCF 34a_100000749954_100011934791 [0,2,0,0,0,0|2,0,0]=4 8261 B10R0.74 NC(=NO)CCOCCCO 34a_100000749954_100000230001 [0,2,0,0,0,0|2,0,0]=4 8262 B10R0.74 NNC(=O)CCCOCCF 34a_100000211488_100011217306 [0,2,0,0,0,0|2,0,0]=4 8263 B10R0.74 NNC(=O)CCCOCCO 34a_100000211488_100000211926 [0,2,0,0,0,0|2,0,0]=4 8264 B10R0.74 O=C(CF)CCCCCCO 1458a_100011996774_100015361967 [0,2,0,0,0,0|1,0,0]=3 8265 B10R0.74 O=C(CO)CCCCCCF 1458a_100000210174_100015922095 [0,2,0,0,0,0|0,0,0]=2 8266 B10R0.74 O=C(CO)CCCCCCO 1458a_100000210174_100000766143 [0,2,0,0,0,0|0,0,0]=2 8267 B10R0.74 O=C(CO)NCCCCCO 240690a_100000762737_100000210174 [0,2,0,0,0,0|1,0,0]=3 8268 B10R0.74 O=C(CO)NCCOCCO 240690a_100000211614_100000210174 [0,2,0,0,0,0|2,0,0]=4 8269 B10R0.74 O=C(CO)NCCSCCO 240690a_100011219999_100000210174 [0,2,0,0,0,0|2,0,0]=4 8270 B10R0.74 O=C(CO)NCCSCCO 527a_100011219999_100000210174 [0,2,0,0,0,0|2,0,0]=4 8271 B10R0.75 C#CCCCCC(=O)C(O)O 1458a_100000233687_100010269958 [0,2,0,0,0,0|0,0,2]=4 8272 B10R0.75 C#CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010269958 [0,2,0,0,0,0|0,0,2]=4 8273 B10R0.75 C#CCCCCC(=O)[C@H](C)O 1458a_217856618621_100010269958 [0,2,0,0,0,0|0,0,2]=4 8274 B10R0.75 C#CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215417 [0,2,0,0,0,0|0,0,2]=4 8275 B10R0.75 C#CCCNCC(C)C(=O)O 269956a_100000749485_100000688953 [0,2,0,0,0,0|0,0,2]=4 8276 B10R0.75 C#CCCNCC(F)C(=O)O 269956a_100000084737_100000688953 [0,2,0,0,0,0|0,0,2]=4 8277 B10R0.75 C/C=C/CNCC(C)C(=O)O 269956a_100000749485_100102629194 [0,2,0,0,0,0|0,0,2]=4 8278 B10R0.75 C/C=C/CNCC(F)C(=O)O 269956a_100000084737_100102629194 [0,2,0,0,0,0|0,0,2]=4 8279 B10R0.75 C=C(Br)C(=O)NCCCCC 11a_100000209983_100009813364 [0,2,0,0,0,0|2,0,0]=4 8280 B10R0.75 C=C(Br)C(=O)NCCCCC 1626a_100000209983_100009813364 [0,2,0,0,0,0|2,0,0]=4 8281 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,2,0,0,0,0|1,0,0]=3 8282 B10R0.75 C=C(C)C(=O)CCCCCF 1458a_100000185857_100000729378 [0,2,0,0,0,0|2,0,0]=4 8283 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [0,2,0,0,0,0|2,0,0]=4 8284 B10R0.75 C=C(C)C(=O)CCCCOC 1458a_100000185857_100000755781 [0,2,0,0,0,0|2,0,0]=4 8285 B10R0.75 C=C(C)C(=O)CCCOCC 1458a_100000185857_100012232248 [0,2,0,0,0,0|2,0,0]=4 8286 B10R0.75 C=C(C)C(=O)CCOCCC 1458a_100000185857_100011215938 [0,2,0,0,0,0|2,0,0]=4 8287 B10R0.75 C=C(C)C(=O)COCCCC 1458a_100000185857_100011995733 [0,2,0,0,0,0|2,0,0]=4 8288 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [0,2,0,0,0,0|2,0,0]=4 8289 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [0,2,0,0,0,0|2,0,0]=4 8290 B10R0.75 C=C(C)C(C)NCCCCC 269862a_100000209983_100011216138 [0,2,0,0,0,0|2,0,0]=4 8291 B10R0.75 C=C(Cl)C(=O)NCCCCC 11a_100000209983_100000039160 [0,2,0,0,0,0|2,0,0]=4 8292 B10R0.75 C=C(Cl)C(=O)NCCCCC 1626a_100000209983_100000039160 [0,2,0,0,0,0|2,0,0]=4 8293 B10R0.75 C=C(F)C(=O)NCCCCC 11a_100000209983_100000036797 [0,2,0,0,0,0|2,0,0]=4 8294 B10R0.75 C=C(F)C(=O)NCCCCC 1626a_100000209983_100000036797 [0,2,0,0,0,0|2,0,0]=4 8295 B10R0.75 C=CCCCCC(=O)C(O)O 1458a_100000233687_100011215482 [0,2,0,0,0,0|0,0,2]=4 8296 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [0,2,0,0,0,0|0,0,2]=4 8297 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [0,2,0,0,0,0|0,0,2]=4 8298 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [0,2,0,0,0,0|0,0,2]=4 8299 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [0,2,0,0,0,0|0,0,2]=4 8300 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [0,2,0,0,0,0|0,0,2]=4 8301 B10R0.75 CC#CCNCC(C)C(=O)O 269956a_100000749485_100000748600 [0,2,0,0,0,0|0,0,2]=4 8302 B10R0.75 CC#CCNCC(F)C(=O)O 269956a_100000084737_100000748600 [0,2,0,0,0,0|0,0,2]=4 8303 B10R0.75 CC(=O)C(C)COCCCF 34a_100000032740_100011934791 [0,2,0,0,0,0|2,0,0]=4 8304 B10R0.75 CC(=O)C(C)COCCCF 7a_100000032740_100011934791 [0,2,0,0,0,0|2,0,0]=4 8305 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [0,2,0,0,0,0|2,0,0]=4 8306 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [0,2,0,0,0,0|2,0,0]=4 8307 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,2,0,0,0,0|2,0,0]=4 8308 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [0,2,0,0,0,0|2,0,0]=4 8309 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [0,2,0,0,0,0|2,0,0]=4 8310 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [0,2,0,0,0,0|2,0,0]=4 8311 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,2,0,0,0,0|2,0,0]=4 8312 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [0,2,0,0,0,0|2,0,0]=4 8313 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [0,2,0,0,0,0|2,0,0]=4 8314 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,2,0,0,0,0|2,0,0]=4 8315 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,2,0,0,0,0|2,0,0]=4 8316 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [0,2,0,0,0,0|2,0,0]=4 8317 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [0,2,0,0,0,0|2,0,0]=4 8318 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [0,2,0,0,0,0|2,0,0]=4 8319 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [0,2,0,0,0,0|2,0,0]=4 8320 B10R0.75 CC(CNCCC#N)C(=O)O 269956a_100000749485_100011215226 [0,2,0,0,0,0|1,0,1]=4 8321 B10R0.75 CC(CNCCCF)C(=O)O 269956a_100000749485_100011934791 [0,2,0,0,0,0|1,0,0]=3 8322 B10R0.75 CC(CNCCCO)C(=O)O 269956a_100000749485_100011215043 [0,2,0,0,0,0|1,0,0]=3 8323 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [0,2,0,0,0,0|2,0,0]=4 8324 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [0,2,0,0,0,0|2,0,0]=4 8325 B10R0.75 CC(NCCCCO)C(=O)N 2230a_100000750430_100000702099 [0,2,0,0,0,0|2,0,0]=4 8326 B10R0.75 CC(NCCCCO)C(=O)N 34a_100000750430_100000702099 [0,2,0,0,0,0|2,0,0]=4 8327 B10R0.75 CC(OCCCCBr)C(=O)N 34a_100011216708_100000702099 [0,2,0,0,0,0|2,0,0]=4 8328 B10R0.75 CC(OCCCCCl)C(=O)N 34a_100000210776_100000702099 [0,2,0,0,0,0|2,0,0]=4 8329 B10R0.75 CC(OCCCCCl)C(=O)N 7a_100000210776_100000702099 [0,2,0,0,0,0|2,0,0]=4 8330 B10R0.75 CC(OCCCCF)C(=O)N 34a_100011995726_100000702099 [0,2,0,0,0,0|2,0,0]=4 8331 B10R0.75 CC(OCCCCF)C(=O)N 7a_100011995726_100000702099 [0,2,0,0,0,0|2,0,0]=4 8332 B10R0.75 CC(OCCCCI)C(=O)N 34a_200012148704_100000702099 [0,2,0,0,0,0|2,0,0]=4 8333 B10R0.75 CC(OCCCCN)C(=O)N 34a_100000750430_100000702099 [0,2,0,0,0,0|2,0,0]=4 8334 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000702099_100000729493 [0,2,0,0,0,0|2,0,0]=4 8335 B10R0.75 CC(SCCCCF)C(=O)N 62a_100000729493_100000702099 [0,2,0,0,0,0|2,0,0]=4 8336 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000210776_100000702099 [0,2,0,0,0,0|2,0,0]=4 8337 B10R0.75 CC(SCCCCO)C(=O)N 62a_100000702099_100000210776 [0,2,0,0,0,0|2,0,0]=4 8338 B10R0.75 CC/C=C\CCC(=O)C(O)O 1458a_100000233687_100015370543 [0,2,0,0,0,0|0,0,2]=4 8339 B10R0.75 CC/C=C\CCC(=O)[C@@H](C)O 1458a_100000717761_100015370543 [0,2,0,0,0,0|0,0,2]=4 8340 B10R0.75 CC/C=C\CCC(=O)[C@H](C)O 1458a_217856618621_100015370543 [0,2,0,0,0,0|0,0,2]=4 8341 B10R0.75 CC/C=C\CN[C@@H](C)C(=O)O 269956a_100000743915_100103147603 [0,2,0,0,0,0|0,0,2]=4 8342 B10R0.75 CCC#CCN[C@@H](C)C(=O)O 269956a_100000743915_100009813939 [0,2,0,0,0,0|0,0,2]=4 8343 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,2,0,0,0,0|1,0,0]=3 8344 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,2,0,0,0,0|1,0,0]=3 8345 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,2,0,0,0,0|1,0,0]=3 8346 B10R0.75 CCCCCCC(=O)C(O)O 1458a_100000233687_100000210757 [0,2,0,0,0,0|0,0,0]=2 8347 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [0,2,0,0,0,0|1,0,0]=3 8348 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [0,2,0,0,0,0|1,0,0]=3 8349 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [0,2,0,0,0,0|1,0,0]=3 8350 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [0,2,0,0,0,0|1,0,0]=3 8351 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,2,0,0,0,0|0,0,0]=2 8352 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,2,0,0,0,0|0,0,0]=2 8353 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,2,0,0,0,0|1,0,0]=3 8354 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,2,0,0,0,0|0,0,1]=3 8355 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,2,0,0,0,0|0,0,1]=3 8356 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,2,0,0,0,0|1,0,0]=3 8357 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,2,0,0,0,0|1,0,0]=3 8358 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,2,0,0,0,0|1,0,0]=3 8359 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,2,0,0,0,0|1,0,0]=3 8360 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [0,2,0,0,0,0|1,0,1]=4 8361 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 8362 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 8363 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 8364 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,2,0,0,0,0|2,0,0]=4 8365 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 8366 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 8367 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 8368 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,2,0,0,0,0|2,0,0]=4 8369 B10R0.75 CCCCCNC(=O)C(F)F 11a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 8370 B10R0.75 CCCCCNC(=O)C(F)F 1626a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 8371 B10R0.75 CCCCCNC(=O)C(F)F 240690a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 8372 B10R0.75 CCCCCNC(=O)C(F)F 527a_100000209983_100000210393 [0,2,0,0,0,0|2,0,0]=4 8373 B10R0.75 CCCCCNC(=O)C(O)O 240690a_100000209983_100000233687 [0,2,0,0,0,0|1,0,0]=3 8374 B10R0.75 CCCCCNC(=O)N(C)C 2708a_100000209983_100102631434 [0,2,0,0,0,0|2,0,0]=4 8375 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,2,0,0,0,0|1,0,0]=3 8376 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,2,0,0,0,0|1,0,0]=3 8377 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,2,0,0,0,0|1,0,0]=3 8378 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,2,0,0,0,0|1,0,0]=3 8379 B10R0.75 CCCCCNC(C)C(=O)N 2230a_100000209983_100000702099 [0,2,0,0,0,0|1,0,0]=3 8380 B10R0.75 CCCCCNC(F)C(=O)N 2230a_100000209983_100009813875 [0,2,0,0,0,0|1,0,0]=3 8381 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [0,2,0,0,0,0|0,0,0]=2 8382 B10R0.75 CCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210326 [0,2,0,0,0,0|1,0,0]=3 8383 B10R0.75 CCCCCN[C@H](C)C(=O)N 34a_100000119354_100000718602 [0,2,0,0,0,0|1,0,0]=3 8384 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,2,0,0,0,0|1,0,0]=3 8385 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,2,0,0,0,0|1,0,0]=3 8386 B10R0.75 CCCCCOC(C)C(=O)N 34a_100000210253_100000702099 [0,2,0,0,0,0|1,0,0]=3 8387 B10R0.75 CCCCCOC(C)C(=O)N 7a_100000210253_100000702099 [0,2,0,0,0,0|1,0,0]=3 8388 B10R0.75 CCCCCOC(F)C(=O)N 34a_100000210253_100009813875 [0,2,0,0,0,0|1,0,0]=3 8389 B10R0.75 CCCCCOC(F)C(=O)N 7a_100000210253_100009813875 [0,2,0,0,0,0|1,0,0]=3 8390 B10R0.75 CCCCCOC(F)C(=O)[O-] 34a_100000210253_100020610796 [0,2,0,0,0,0|0,0,1]=3 8391 B10R0.75 CCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210326 [0,2,0,0,0,0|0,0,1]=3 8392 B10R0.75 CCCCCO[C@H](C)C(=O)N 34a_100000731257_100000718602 [0,2,0,0,0,0|1,0,0]=3 8393 B10R0.75 CCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210326 [0,2,0,0,0,0|1,0,0]=3 8394 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,2,0,0,0,0|1,0,0]=3 8395 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,2,0,0,0,0|1,0,0]=3 8396 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000210326_100000702099 [0,2,0,0,0,0|1,0,0]=3 8397 B10R0.75 CCCCCSC(C)C(=O)N 62a_100000702099_100000210326 [0,2,0,0,0,0|1,0,0]=3 8398 B10R0.75 CCCCCSC(F)C(=O)N 62a_100000210326_100009813875 [0,2,0,0,0,0|1,0,0]=3 8399 B10R0.75 CCCCCSC(F)C(=O)N 62a_100009813875_100000210326 [0,2,0,0,0,0|1,0,0]=3 8400 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100000210326_100020610796 [0,2,0,0,0,0|0,0,1]=3 8401 B10R0.75 CCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210326 [0,2,0,0,0,0|0,0,1]=3 8402 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [0,2,0,0,0,0|2,0,0]=4 8403 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [0,2,0,0,0,0|2,0,0]=4 8404 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100000102301_100000185267 [0,2,0,0,0,0|2,0,0]=4 8405 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100015183351_100000210211 [0,2,0,0,0,0|2,0,0]=4 8406 B10R0.75 CCCCNCC(=O)N(C)C 7a_106832991798_100000692301 [0,2,0,0,0,0|2,0,0]=4 8407 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [0,2,0,0,0,0|0,0,0]=2 8408 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [0,2,0,0,0,0|0,0,0]=2 8409 B10R0.75 CCCCNNC(=O)C(O)O 22a_100025702795_100000233687 [0,2,0,0,0,0|2,0,0]=4 8410 B10R0.75 CCCCNNC(=O)[C@@H](C)O 22a_100025702795_100000717761 [0,2,0,0,0,0|2,0,0]=4 8411 B10R0.75 CCCCNNC(=O)[C@H](C)O 22a_100025702795_217856618621 [0,2,0,0,0,0|2,0,0]=4 8412 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,2,0,0,0,0|1,0,1]=4 8413 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [0,2,0,0,0,0|2,0,0]=4 8414 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [0,2,0,0,0,0|2,0,0]=4 8415 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [0,2,0,0,0,0|2,0,0]=4 8416 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [0,2,0,0,0,0|2,0,0]=4 8417 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [0,2,0,0,0,0|2,0,0]=4 8418 B10R0.75 CCCCOCC(=O)C(O)O 1458a_100000233687_100011995733 [0,2,0,0,0,0|1,0,0]=3 8419 B10R0.75 CCCCOCC(=O)N(C)C 11a_100102631434_100000757543 [0,2,0,0,0,0|2,0,0]=4 8420 B10R0.75 CCCCOCC(=O)N(C)C 1626a_100102631434_100000757543 [0,2,0,0,0,0|2,0,0]=4 8421 B10R0.75 CCCCOCC(=O)N(C)C 240690a_100102631434_100000757543 [0,2,0,0,0,0|2,0,0]=4 8422 B10R0.75 CCCCOCC(=O)N(C)C 34a_100000210227_100000692301 [0,2,0,0,0,0|2,0,0]=4 8423 B10R0.75 CCCCOCC(=O)N(C)C 527a_100102631434_100000757543 [0,2,0,0,0,0|2,0,0]=4 8424 B10R0.75 CCCCOCC(=O)N(C)C 7a_100000210227_100000692301 [0,2,0,0,0,0|2,0,0]=4 8425 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,2,0,0,0,0|1,0,0]=3 8426 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,2,0,0,0,0|1,0,0]=3 8427 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,2,0,0,0,0|1,0,0]=3 8428 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,2,0,0,0,0|1,0,0]=3 8429 B10R0.75 CCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210210 [0,2,0,0,0,0|1,0,1]=4 8430 B10R0.75 CCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210211 [0,2,0,0,0,0|1,0,1]=4 8431 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [0,2,0,0,0,0|1,0,0]=3 8432 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,2,0,0,0,0|1,0,1]=4 8433 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,2,0,0,0,0|1,0,1]=4 8434 B10R0.75 CCCCSCC(=O)C(C)C 1458a_100000191162_100000210206 [0,2,0,0,0,0|2,0,0]=4 8435 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000210211_100000753385 [0,2,0,0,0,0|2,0,0]=4 8436 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000753385_100000210210 [0,2,0,0,0,0|2,0,0]=4 8437 B10R0.75 CCCCSCC(=O)N(C)C 11a_100102631434_100000191162 [0,2,0,0,0,0|2,0,0]=4 8438 B10R0.75 CCCCSCC(=O)N(C)C 1626a_100102631434_100000191162 [0,2,0,0,0,0|2,0,0]=4 8439 B10R0.75 CCCCSCC(=O)N(C)C 240690a_100102631434_100000191162 [0,2,0,0,0,0|2,0,0]=4 8440 B10R0.75 CCCCSCC(=O)N(C)C 527a_100102631434_100000191162 [0,2,0,0,0,0|2,0,0]=4 8441 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000210211_100000692301 [0,2,0,0,0,0|2,0,0]=4 8442 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000692301_100000210210 [0,2,0,0,0,0|2,0,0]=4 8443 B10R0.75 CCCNCCC(=O)N(C)C 2230a_100000738053_100000210303 [0,2,0,0,0,0|2,0,0]=4 8444 B10R0.75 CCCOCCC(=O)C(C)C 1458a_100000210198_100011215938 [0,2,0,0,0,0|2,0,0]=4 8445 B10R0.75 CCCOCCC(=O)C(C)F 1458a_100000062450_100011215938 [0,2,0,0,0,0|2,0,0]=4 8446 B10R0.75 CCCOCCC(=O)C(O)O 1458a_100000233687_100011215938 [0,2,0,0,0,0|1,0,0]=3 8447 B10R0.75 CCCOCCC(=O)N(C)C 34a_200000747469_100000210303 [0,2,0,0,0,0|2,0,0]=4 8448 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,2,0,0,0,0|1,0,0]=3 8449 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,2,0,0,0,0|1,0,0]=3 8450 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000210303_100000737620 [0,2,0,0,0,0|2,0,0]=4 8451 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000737620_100000210303 [0,2,0,0,0,0|2,0,0]=4 8452 B10R0.75 CCNCCCC(=O)N(C)C 2230a_100015525214_100000737642 [0,2,0,0,0,0|2,0,0]=4 8453 B10R0.75 CCNCCCC(=O)N(C)C 2230a_200000744827_100000210202 [0,2,0,0,0,0|2,0,0]=4 8454 B10R0.75 CCOCCCC(=O)C(C)C 1458a_100000210198_100012232248 [0,2,0,0,0,0|2,0,0]=4 8455 B10R0.75 CCOCCCC(=O)C(C)F 1458a_100000062450_100012232248 [0,2,0,0,0,0|2,0,0]=4 8456 B10R0.75 CCOCCCC(=O)C(O)O 1458a_100000233687_100012232248 [0,2,0,0,0,0|1,0,0]=3 8457 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,2,0,0,0,0|1,0,0]=3 8458 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,2,0,0,0,0|1,0,0]=3 8459 B10R0.75 CCOCCNC(=O)C(O)O 240690a_100011200944_100000233687 [0,2,0,0,0,0|2,0,0]=4 8460 B10R0.75 CCOCCNC(=O)[C@@H](C)O 240690a_100011200944_100000717761 [0,2,0,0,0,0|2,0,0]=4 8461 B10R0.75 CCOCCNC(=O)[C@H](C)O 1626a_102516460346_217856618621 [0,2,0,0,0,0|2,0,0]=4 8462 B10R0.75 CCOCCNC(=O)[C@H](C)O 240690a_100011200944_217856618621 [0,2,0,0,0,0|2,0,0]=4 8463 B10R0.75 CCOCCNC(C)C(=O)C 2230a_102516460346_100009814033 [0,2,0,0,0,0|2,0,0]=4 8464 B10R0.75 CCOCCNC(C)C(=O)N 2230a_102516460346_100000702099 [0,2,0,0,0,0|2,0,0]=4 8465 B10R0.75 CCOCCNC(C)C(=O)N 34a_102516460346_100000702099 [0,2,0,0,0,0|2,0,0]=4 8466 B10R0.75 CCOCCNC(F)C(=O)N 2230a_102516460346_100009813875 [0,2,0,0,0,0|2,0,0]=4 8467 B10R0.75 CCOCCNC(F)C(=O)N 34a_102516460346_100009813875 [0,2,0,0,0,0|2,0,0]=4 8468 B10R0.75 CCOCCNC(F)C(=O)[O-] 34a_102516460346_100020610796 [0,2,0,0,0,0|1,0,1]=4 8469 B10R0.75 CCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210147 [0,2,0,0,0,0|1,0,0]=3 8470 B10R0.75 CCOCCN[C@H](C)C(=O)N 2230a_100000119354_100011215890 [0,2,0,0,0,0|2,0,0]=4 8471 B10R0.75 CCOCCN[C@H](C)C(=O)N 34a_100000119354_100000210147 [0,2,0,0,0,0|2,0,0]=4 8472 B10R0.75 CCOCCOC(C)C(=O)C 1458a_100000743585_200000210301 [0,2,0,0,0,0|2,0,0]=4 8473 B10R0.75 CCOCCOC(C)C(=O)C 34a_100000212229_100000210147 [0,2,0,0,0,0|2,0,0]=4 8474 B10R0.75 CCOCCOC(C)C(=O)C 7a_100000210136_100000179758 [0,2,0,0,0,0|2,0,0]=4 8475 B10R0.75 CCOCCOC(C)C(=O)N 34a_100000210136_100000702099 [0,2,0,0,0,0|2,0,0]=4 8476 B10R0.75 CCOCCOC(C)C(=O)N 7a_100000210136_100000702099 [0,2,0,0,0,0|2,0,0]=4 8477 B10R0.75 CCOCCOC(C)C(=O)[13CH3] 1458a_100000743585_200025704644 [0,2,0,0,0,0|2,0,0]=4 8478 B10R0.75 CCOCCOC(F)C(=O)N 34a_100000210136_100009813875 [0,2,0,0,0,0|2,0,0]=4 8479 B10R0.75 CCOCCOC(F)C(=O)N 7a_100000210136_100009813875 [0,2,0,0,0,0|2,0,0]=4 8480 B10R0.75 CCOCCOC(F)C(=O)[O-] 34a_100000210136_100020610796 [0,2,0,0,0,0|1,0,1]=4 8481 B10R0.75 CCOCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215890 [0,2,0,0,0,0|1,0,1]=4 8482 B10R0.75 CCOCCO[C@H](C)C(=O)N 34a_100000731257_100000210147 [0,2,0,0,0,0|2,0,0]=4 8483 B10R0.75 CCOCCO[C@H](C)C(=O)N 7a_100000731257_100011215890 [0,2,0,0,0,0|2,0,0]=4 8484 B10R0.75 CCOCCSC(C)C(=O)C 62a_100000210147_100009814033 [0,2,0,0,0,0|2,0,0]=4 8485 B10R0.75 CCOCCSC(C)C(=O)C 62a_100009814033_100011215890 [0,2,0,0,0,0|2,0,0]=4 8486 B10R0.75 CCOCCSC(C)C(=O)N 62a_100000210147_100000702099 [0,2,0,0,0,0|2,0,0]=4 8487 B10R0.75 CCOCCSC(C)C(=O)N 62a_100000702099_100011215890 [0,2,0,0,0,0|2,0,0]=4 8488 B10R0.75 CCOCCSC(F)C(=O)N 62a_100000210147_100009813875 [0,2,0,0,0,0|2,0,0]=4 8489 B10R0.75 CCOCCSC(F)C(=O)N 62a_100009813875_100011215890 [0,2,0,0,0,0|2,0,0]=4 8490 B10R0.75 CCOCCSC(F)C(=O)[O-] 62a_100000210147_100020610796 [0,2,0,0,0,0|1,0,1]=4 8491 B10R0.75 CCOCCSC(F)C(=O)[O-] 62a_100020610796_100011215890 [0,2,0,0,0,0|1,0,1]=4 8492 B10R0.75 CCOCNCC(C)C(=O)O 269956a_100000749485_100000739092 [0,2,0,0,0,0|1,0,0]=3 8493 B10R0.75 CCOCNCC(F)C(=O)O 269956a_100000084737_100000739092 [0,2,0,0,0,0|1,0,0]=3 8494 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000210202_100000737642 [0,2,0,0,0,0|2,0,0]=4 8495 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000737642_100000210202 [0,2,0,0,0,0|2,0,0]=4 8496 B10R0.75 CCSCCNC(=O)C(O)O 240690a_100000106463_100000233687 [0,2,0,0,0,0|2,0,0]=4 8497 B10R0.75 CCSCCNC(=O)[C@@H](C)O 240690a_100000106463_100000717761 [0,2,0,0,0,0|2,0,0]=4 8498 B10R0.75 CCSCCNC(=O)[C@H](C)O 1626a_100000106463_217856618621 [0,2,0,0,0,0|2,0,0]=4 8499 B10R0.75 CCSCCNC(=O)[C@H](C)O 240690a_100000106463_217856618621 [0,2,0,0,0,0|2,0,0]=4 8500 B10R0.75 CCSCCNC(C)C(=O)C 2230a_100000106463_100009814033 [0,2,0,0,0,0|2,0,0]=4 8501 B10R0.75 CCSCCNC(C)C(=O)N 2230a_100000106463_100000702099 [0,2,0,0,0,0|2,0,0]=4 8502 B10R0.75 CCSCCNC(F)C(=O)N 2230a_100000106463_100009813875 [0,2,0,0,0,0|2,0,0]=4 8503 B10R0.75 CCSCCN[C@@H](C)C(=O)O 269956a_100000743915_100000757381 [0,2,0,0,0,0|1,0,0]=3 8504 B10R0.75 CCSCCN[C@H](C)C(=O)N 2230a_100000119354_100000757381 [0,2,0,0,0,0|2,0,0]=4 8505 B10R0.75 CCSCCN[C@H](C)C(=O)N 34a_100000119354_100000757381 [0,2,0,0,0,0|2,0,0]=4 8506 B10R0.75 CCSCCOC(C)C(=O)C 34a_100000212229_100000757381 [0,2,0,0,0,0|2,0,0]=4 8507 B10R0.75 CCSCCOC(C)C(=O)C 7a_100000212035_100000179758 [0,2,0,0,0,0|2,0,0]=4 8508 B10R0.75 CCSCCOC(C)C(=O)N 34a_100000212035_100000702099 [0,2,0,0,0,0|2,0,0]=4 8509 B10R0.75 CCSCCOC(C)C(=O)N 7a_100000212035_100000702099 [0,2,0,0,0,0|2,0,0]=4 8510 B10R0.75 CCSCCOC(F)C(=O)N 34a_100000212035_100009813875 [0,2,0,0,0,0|2,0,0]=4 8511 B10R0.75 CCSCCOC(F)C(=O)N 7a_100000212035_100009813875 [0,2,0,0,0,0|2,0,0]=4 8512 B10R0.75 CCSCCOC(F)C(=O)[O-] 34a_100000212035_100020610796 [0,2,0,0,0,0|1,0,1]=4 8513 B10R0.75 CCSCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000757381 [0,2,0,0,0,0|1,0,1]=4 8514 B10R0.75 CCSCCO[C@H](C)C(=O)N 34a_100000731257_100000757381 [0,2,0,0,0,0|2,0,0]=4 8515 B10R0.75 CCSCCO[C@H](C)C(=O)N 7a_100000731257_100000757381 [0,2,0,0,0,0|2,0,0]=4 8516 B10R0.75 CCSCCSC(C)C(=O)C 62a_100000757381_100009814033 [0,2,0,0,0,0|2,0,0]=4 8517 B10R0.75 CCSCCSC(C)C(=O)C 62a_100009814033_100000757381 [0,2,0,0,0,0|2,0,0]=4 8518 B10R0.75 CCSCCSC(C)C(=O)N 62a_100000702099_100000757381 [0,2,0,0,0,0|2,0,0]=4 8519 B10R0.75 CCSCCSC(C)C(=O)N 62a_100000757381_100000702099 [0,2,0,0,0,0|2,0,0]=4 8520 B10R0.75 CCSCCSC(F)C(=O)N 62a_100000757381_100009813875 [0,2,0,0,0,0|2,0,0]=4 8521 B10R0.75 CCSCCSC(F)C(=O)N 62a_100009813875_100000757381 [0,2,0,0,0,0|2,0,0]=4 8522 B10R0.75 CCSCCSC(F)C(=O)[O-] 62a_100000757381_100020610796 [0,2,0,0,0,0|1,0,1]=4 8523 B10R0.75 CCSCCSC(F)C(=O)[O-] 62a_100020610796_100000757381 [0,2,0,0,0,0|1,0,1]=4 8524 B10R0.75 CN(C)C(=O)CCCCCO 240690a_100102631434_100102619762 [0,2,0,0,0,0|2,0,0]=4 8525 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_100000752486_200025704644 [0,2,0,0,0,0|2,0,0]=4 8526 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_200025704644_100000752486 [0,2,0,0,0,0|2,0,0]=4 8527 B10R0.75 CNCCCCC(=O)N(C)C 34a_100102657272_100000752486 [0,2,0,0,0,0|2,0,0]=4 8528 B10R0.75 CNCCCCC(=O)N(C)C 7a_106832991635_100000752486 [0,2,0,0,0,0|2,0,0]=4 8529 B10R0.75 CNCCCOC(C)C(=O)N 34a_100000213112_100000702099 [0,2,0,0,0,0|2,0,0]=4 8530 B10R0.75 CNCCCOC(F)C(=O)N 34a_100000213112_100009813875 [0,2,0,0,0,0|2,0,0]=4 8531 B10R0.75 CNCCCOC(F)C(=O)[O-] 34a_100000213112_100020610796 [0,2,0,0,0,0|1,0,1]=4 8532 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [0,2,0,0,0,0|2,0,0]=4 8533 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [0,2,0,0,0,0|2,0,0]=4 8534 B10R0.75 COCCCCC(=O)C(O)O 1458a_100000233687_100000755781 [0,2,0,0,0,0|1,0,0]=3 8535 B10R0.75 COCCCCC(=O)N(C)C 34a_100138415774_100000752486 [0,2,0,0,0,0|2,0,0]=4 8536 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,2,0,0,0,0|1,0,0]=3 8537 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,2,0,0,0,0|1,0,0]=3 8538 B10R0.75 COCCCNC(=O)C(O)O 240690a_100150723488_100000233687 [0,2,0,0,0,0|2,0,0]=4 8539 B10R0.75 COCCCNC(=O)[C@@H](C)O 240690a_100150723488_100000717761 [0,2,0,0,0,0|2,0,0]=4 8540 B10R0.75 COCCCNC(=O)[C@H](C)O 1626a_100150723488_217856618621 [0,2,0,0,0,0|2,0,0]=4 8541 B10R0.75 COCCCNC(=O)[C@H](C)O 240690a_100150723488_217856618621 [0,2,0,0,0,0|2,0,0]=4 8542 B10R0.75 COCCCNC(C)C(=O)N 34a_100150723488_100000702099 [0,2,0,0,0,0|2,0,0]=4 8543 B10R0.75 COCCCNC(F)C(=O)N 34a_100150723488_100009813875 [0,2,0,0,0,0|2,0,0]=4 8544 B10R0.75 COCCCNC(F)C(=O)[O-] 34a_100150723488_100020610796 [0,2,0,0,0,0|1,0,1]=4 8545 B10R0.75 COCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000740836 [0,2,0,0,0,0|1,0,0]=3 8546 B10R0.75 COCCCN[C@H](C)C(=O)N 2230a_100000119354_100000740836 [0,2,0,0,0,0|2,0,0]=4 8547 B10R0.75 COCCCN[C@H](C)C(=O)N 34a_100000119354_100000740836 [0,2,0,0,0,0|2,0,0]=4 8548 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [0,2,0,0,0,0|2,0,0]=4 8549 B10R0.75 COCCCOC(C)C(=O)N 34a_100000740835_100000702099 [0,2,0,0,0,0|2,0,0]=4 8550 B10R0.75 COCCCOC(F)C(=O)N 34a_100000740835_100009813875 [0,2,0,0,0,0|2,0,0]=4 8551 B10R0.75 COCCCOC(F)C(=O)[O-] 34a_100000740835_100020610796 [0,2,0,0,0,0|1,0,1]=4 8552 B10R0.75 COCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000740836 [0,2,0,0,0,0|1,0,1]=4 8553 B10R0.75 COCCCO[C@H](C)C(=O)N 34a_100000731257_100000740836 [0,2,0,0,0,0|2,0,0]=4 8554 B10R0.75 COCCCO[C@H](C)C(=O)N 7a_100000731257_100000740836 [0,2,0,0,0,0|2,0,0]=4 8555 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [0,2,0,0,0,0|2,0,0]=4 8556 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [0,2,0,0,0,0|2,0,0]=4 8557 B10R0.75 COCCCSC(C)C(=O)N 62a_100000702099_100000709357 [0,2,0,0,0,0|2,0,0]=4 8558 B10R0.75 COCCCSC(C)C(=O)N 62a_100000709357_100000702099 [0,2,0,0,0,0|2,0,0]=4 8559 B10R0.75 COCCCSC(F)C(=O)N 62a_100000709357_100009813875 [0,2,0,0,0,0|2,0,0]=4 8560 B10R0.75 COCCCSC(F)C(=O)N 62a_100009813875_100000709357 [0,2,0,0,0,0|2,0,0]=4 8561 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100000709357_100020610796 [0,2,0,0,0,0|1,0,1]=4 8562 B10R0.75 COCCCSC(F)C(=O)[O-] 62a_100020610796_100000709357 [0,2,0,0,0,0|1,0,1]=4 8563 B10R0.75 COCCNCC(C)C(=O)O 269956a_100000749485_100000233755 [0,2,0,0,0,0|1,0,0]=3 8564 B10R0.75 COCCNCC(F)C(=O)O 269956a_100000084737_100000233755 [0,2,0,0,0,0|1,0,0]=3 8565 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [0,2,0,0,0,0|2,0,0]=4 8566 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [0,2,0,0,0,0|2,0,0]=4 8567 B10R0.75 COCCOC[C@H](N)C(=O)N 34a_100000729942_100011201679 [0,2,0,0,0,0|2,0,0]=4 8568 B10R0.75 CSCCCCC(=O)N(C)C 62a_100000752486_200000210301 [0,2,0,0,0,0|2,0,0]=4 8569 B10R0.75 CSCCCCC(=O)N(C)C 62a_200000210301_100000752486 [0,2,0,0,0,0|2,0,0]=4 8570 B10R0.75 CSCCCNC(=O)C(O)O 240690a_100000749238_100000233687 [0,2,0,0,0,0|2,0,0]=4 8571 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [0,2,0,0,0,0|2,0,0]=4 8572 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [0,2,0,0,0,0|2,0,0]=4 8573 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [0,2,0,0,0,0|2,0,0]=4 8574 B10R0.75 CSCCCNC(C)C(=O)C 2230a_100000749238_100009814033 [0,2,0,0,0,0|2,0,0]=4 8575 B10R0.75 CSCCCNC(C)C(=O)N 2230a_100000749238_100000702099 [0,2,0,0,0,0|2,0,0]=4 8576 B10R0.75 CSCCCNC(F)C(=O)N 2230a_100000749238_100009813875 [0,2,0,0,0,0|2,0,0]=4 8577 B10R0.75 CSCCCOC(C)C(=O)C 7a_100000690336_100000179758 [0,2,0,0,0,0|2,0,0]=4 8578 B10R0.75 CSCCCOC(C)C(=O)N 34a_100000690336_100000702099 [0,2,0,0,0,0|2,0,0]=4 8579 B10R0.75 CSCCCOC(C)C(=O)N 7a_100000690336_100000702099 [0,2,0,0,0,0|2,0,0]=4 8580 B10R0.75 CSCCCOC(F)C(=O)N 34a_100000690336_100009813875 [0,2,0,0,0,0|2,0,0]=4 8581 B10R0.75 CSCCCOC(F)C(=O)N 7a_100000690336_100009813875 [0,2,0,0,0,0|2,0,0]=4 8582 B10R0.75 CSCCCOC(F)C(=O)[O-] 34a_100000690336_100020610796 [0,2,0,0,0,0|1,0,1]=4 8583 B10R0.75 CSCCNCC(C)C(=O)O 269956a_100000749485_100000212216 [0,2,0,0,0,0|1,0,0]=3 8584 B10R0.75 CSCCNCC(F)C(=O)O 269956a_100000084737_100000212216 [0,2,0,0,0,0|1,0,0]=3 8585 B10R0.75 CSCCOCC(C)C(=O)C 34a_100000032740_100000212216 [0,2,0,0,0,0|2,0,0]=4 8586 B10R0.75 CSCCOCC(C)C(=O)C 7a_100000032740_100000212216 [0,2,0,0,0,0|2,0,0]=4 8587 B10R0.75 CSCCOC[C@H](N)C(=O)N 34a_100000729942_100000212216 [0,2,0,0,0,0|2,0,0]=4 8588 B10R0.75 C[C@@H](NCCCCF)C(=O)N 2230a_100000119354_100000729493 [0,2,0,0,0,0|2,0,0]=4 8589 B10R0.75 C[C@@H](NCCCCF)C(=O)N 34a_100000119354_100000729493 [0,2,0,0,0,0|2,0,0]=4 8590 B10R0.75 C[C@@H](NCCCCO)C(=O)N 2230a_100000119354_100000210776 [0,2,0,0,0,0|2,0,0]=4 8591 B10R0.75 C[C@@H](NCCCCO)C(=O)N 34a_100000119354_100011216708 [0,2,0,0,0,0|2,0,0]=4 8592 B10R0.75 C[C@@H](O)C(=O)CCCCC#N 1458a_100000717761_100000211819 [0,2,0,0,0,0|1,0,1]=4 8593 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,2,0,0,0,0|1,0,0]=3 8594 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,2,0,0,0,0|1,0,0]=3 8595 B10R0.75 C[C@@H](O)C(=O)CCOCCO 1458a_100000717761_100011215305 [0,2,0,0,0,0|2,0,0]=4 8596 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [0,2,0,0,0,0|2,0,0]=4 8597 B10R0.75 C[C@@H](OCCCCF)C(=O)N 34a_100000731257_100000729493 [0,2,0,0,0,0|2,0,0]=4 8598 B10R0.75 C[C@@H](OCCCCF)C(=O)N 7a_100000731257_100000729493 [0,2,0,0,0,0|2,0,0]=4 8599 B10R0.75 C[C@@H](OCCCCO)C(=O)N 34a_100000731257_100011216708 [0,2,0,0,0,0|2,0,0]=4 8600 B10R0.75 C[C@@H](OCCCCO)C(=O)N 7a_100000731257_100000210776 [0,2,0,0,0,0|2,0,0]=4 8601 B10R0.75 C[C@H](NCCCC#N)C(=O)O 269956a_100000743915_100000687738 [0,2,0,0,0,0|1,0,1]=4 8602 B10R0.75 C[C@H](NCCCC=O)C(=O)O 269956a_100000743915_200011292268 [0,2,0,0,0,0|1,0,1]=4 8603 B10R0.75 C[C@H](NCCCCF)C(=O)O 269956a_100000743915_100000729493 [0,2,0,0,0,0|1,0,0]=3 8604 B10R0.75 C[C@H](NCCCCO)C(=O)O 269956a_100000743915_100000210776 [0,2,0,0,0,0|1,0,0]=3 8605 B10R0.75 C[C@H](O)C(=O)CCCCC#N 1458a_217856618621_100000211819 [0,2,0,0,0,0|1,0,1]=4 8606 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,2,0,0,0,0|1,0,0]=3 8607 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,2,0,0,0,0|1,0,0]=3 8608 B10R0.75 C[C@H](O)C(=O)CCOCCO 1458a_217856618621_100011215305 [0,2,0,0,0,0|2,0,0]=4 8609 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [0,2,0,0,0,0|2,0,0]=4 8610 B10R0.75 C[C@H](OCCCCF)C(=O)[O-] 7a_217856618621_100000729493 [0,2,0,0,0,0|1,0,1]=4 8611 B10R0.75 C[C@H](OCCCCO)C(=O)[O-] 7a_217856618621_100000210776 [0,2,0,0,0,0|1,0,1]=4 8612 B10R0.75 N#CCCCCC(=O)C(O)O 1458a_100000233687_100000211819 [0,2,0,0,0,0|1,0,1]=4 8613 B10R0.75 N#CCCNCC(F)C(=O)O 269956a_100000084737_100011215226 [0,2,0,0,0,0|1,0,1]=4 8614 B10R0.75 NC(=O)C(F)NCCCCO 2230a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 8615 B10R0.75 NC(=O)C(F)NCCCCO 34a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 8616 B10R0.75 NC(=O)C(F)OCCCCBr 34a_100011216708_100009813875 [0,2,0,0,0,0|2,0,0]=4 8617 B10R0.75 NC(=O)C(F)OCCCCCl 34a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 8618 B10R0.75 NC(=O)C(F)OCCCCCl 7a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 8619 B10R0.75 NC(=O)C(F)OCCCCF 34a_100011995726_100009813875 [0,2,0,0,0,0|2,0,0]=4 8620 B10R0.75 NC(=O)C(F)OCCCCF 7a_100011995726_100009813875 [0,2,0,0,0,0|2,0,0]=4 8621 B10R0.75 NC(=O)C(F)OCCCCI 34a_200012148704_100009813875 [0,2,0,0,0,0|2,0,0]=4 8622 B10R0.75 NC(=O)C(F)SCCCCF 62a_100000729493_100009813875 [0,2,0,0,0,0|2,0,0]=4 8623 B10R0.75 NC(=O)C(F)SCCCCF 62a_100009813875_100000729493 [0,2,0,0,0,0|2,0,0]=4 8624 B10R0.75 NC(=O)C(F)SCCCCO 62a_100000210776_100009813875 [0,2,0,0,0,0|2,0,0]=4 8625 B10R0.75 NC(=O)C(F)SCCCCO 62a_100009813875_100000210776 [0,2,0,0,0,0|2,0,0]=4 8626 B10R0.75 NC(=O)[C@@H](N)COCCCF 34a_100000729942_100011934791 [0,2,0,0,0,0|2,0,0]=4 8627 B10R0.75 NC(=O)[C@@H](N)COCCCO 34a_100000729942_100000230001 [0,2,0,0,0,0|2,0,0]=4 8628 B10R0.75 NCCCCOC(F)C(=O)N 34a_100000750430_100009813875 [0,2,0,0,0,0|2,0,0]=4 8629 B10R0.75 NCCCCOC(F)C(=O)[O-] 34a_100000750430_100020610796 [0,2,0,0,0,0|1,0,1]=4 8630 B10R0.75 O=C(CCCCCF)C(O)O 1458a_100000233687_100000729378 [0,2,0,0,0,0|1,0,0]=3 8631 B10R0.75 O=C(CCCCCO)C(O)O 1458a_100000233687_100000746330 [0,2,0,0,0,0|1,0,0]=3 8632 B10R0.75 O=C(CCOCCO)C(O)O 1458a_100000233687_100011215305 [0,2,0,0,0,0|2,0,0]=4 8633 B10R0.75 O=C(NCCCCO)C(O)O 240690a_100000750430_100000233687 [0,2,0,0,0,0|2,0,0]=4 8634 B10R0.75 O=C(O)C(F)CNCCCF 269956a_100000084737_100011934791 [0,2,0,0,0,0|1,0,0]=3 8635 B10R0.75 O=C(O)C(F)CNCCCO 269956a_100000084737_100011215043 [0,2,0,0,0,0|1,0,0]=3 8636 B10R0.75 O=C([O-])C(F)NCCCCO 34a_100000750430_100020610796 [0,2,0,0,0,0|1,0,1]=4 8637 B10R0.75 O=C([O-])C(F)OCCCCBr 34a_100011216708_100020610796 [0,2,0,0,0,0|1,0,1]=4 8638 B10R0.75 O=C([O-])C(F)OCCCCCl 34a_100000210776_100020610796 [0,2,0,0,0,0|1,0,1]=4 8639 B10R0.75 O=C([O-])C(F)OCCCCF 34a_100011995726_100020610796 [0,2,0,0,0,0|1,0,1]=4 8640 B10R0.75 O=C([O-])C(F)OCCCCI 34a_200012148704_100020610796 [0,2,0,0,0,0|1,0,1]=4 8641 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100000729493_100020610796 [0,2,0,0,0,0|1,0,1]=4 8642 B10R0.75 O=C([O-])C(F)SCCCCF 62a_100020610796_100000729493 [0,2,0,0,0,0|1,0,1]=4 8643 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100000210776_100020610796 [0,2,0,0,0,0|1,0,1]=4 8644 B10R0.75 O=C([O-])C(F)SCCCCO 62a_100020610796_100000210776 [0,2,0,0,0,0|1,0,1]=4 8645 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,2,0,0,0,0|2,0,0]=4 8646 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,2,0,0,0,0|2,0,0]=4 8647 B10R0.78 C=C(C)CCC(C)NCCC 270004a_100020643023_100011215600 [0,2,0,0,0,0|2,0,0]=4 8648 B10R0.78 C=C(C)CCN(C)CCCC 2230a_100000207549_100000730704 [0,2,0,0,0,0|2,0,0]=4 8649 B10R0.78 C=C(C)CCN(C)CCCC 269982a_100000207549_100000730704 [0,2,0,0,0,0|2,0,0]=4 8650 B10R0.78 C=C(C)CNC(C)CCCC 2230a_100000126638_100000748629 [0,2,0,0,0,0|2,0,0]=4 8651 B10R0.78 C=C(C)COC(C)CCCC 34a_100000210245_200011215066 [0,2,0,0,0,0|2,0,0]=4 8652 B10R0.78 C=C(C)COC(C)CCCC 34a_100000687866_100000748629 [0,2,0,0,0,0|2,0,0]=4 8653 B10R0.78 C=C(C)COC(C)CCCC 7a_100000687866_100000748629 [0,2,0,0,0,0|2,0,0]=4 8654 B10R0.78 C=C(C)CSC(C)CCCC 62a_100000748629_200011215066 [0,2,0,0,0,0|2,0,0]=4 8655 B10R0.78 C=C(C)CSC(C)CCCC 62a_200011215066_100000211660 [0,2,0,0,0,0|2,0,0]=4 8656 B10R0.78 C=C(F)CNC(C)CCCC 2230a_100000126638_100009893438 [0,2,0,0,0,0|2,0,0]=4 8657 B10R0.78 C=C(F)COC(C)CCCC 34a_100000687866_100009893438 [0,2,0,0,0,0|2,0,0]=4 8658 B10R0.78 C=C(F)COC(C)CCCC 34a_200010262243_200011215066 [0,2,0,0,0,0|2,0,0]=4 8659 B10R0.78 C=C(F)COC(C)CCCC 7a_100000687866_100000042424 [0,2,0,0,0,0|2,0,0]=4 8660 B10R0.78 C=C(F)CSC(C)CCCC 62a_100000042424_200011215066 [0,2,0,0,0,0|2,0,0]=4 8661 B10R0.78 C=C(F)CSC(C)CCCC 62a_200011215066_100000042424 [0,2,0,0,0,0|2,0,0]=4 8662 B10R0.78 CC(=O)CCN(C)CCCO 269982a_100000213112_100000053229 [0,2,0,0,0,0|2,0,0]=4 8663 B10R0.78 CC(=O)NC[C@H](C)CCCO 240690a_100160569302_100015343762 [0,2,0,0,0,0|2,0,0]=4 8664 B10R0.78 CC(=O)NC[C@H](C)CCCO 527a_100160569302_100103153847 [0,2,0,0,0,0|2,0,0]=4 8665 B10R0.78 CC(CCCCl)OCC(=O)N 34a_200000718107_100000187820 [0,2,0,0,0,0|2,0,0]=4 8666 B10R0.78 CC(CCCCl)OCC(=O)N 7a_200000718107_100000187820 [0,2,0,0,0,0|2,0,0]=4 8667 B10R0.78 CC(CCCCl)OCC(=O)[O-] 34a_200000718107_100020667443 [0,2,0,0,0,0|1,0,1]=4 8668 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,2,0,0,0,0|1,0,0]=3 8669 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [0,2,0,0,0,0|1,0,1]=4 8670 B10R0.78 CCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210211 [0,2,0,0,0,0|1,0,1]=4 8671 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,2,0,0,0,0|1,0,1]=4 8672 B10R0.78 CCCCC(=O)CNC(=O)N 1458a_100000184981_100000210211 [0,2,0,0,0,0|1,0,1]=4 8673 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,2,0,0,0,0|1,0,1]=4 8674 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,2,0,0,0,0|1,0,1]=4 8675 B10R0.78 CCCCC(=O)NCC(=O)N 11a_100000711301_100000210183 [0,2,0,0,0,0|1,0,1]=4 8676 B10R0.78 CCCCC(=O)NCC(=O)N 240690a_100000711301_100000210183 [0,2,0,0,0,0|1,0,1]=4 8677 B10R0.78 CCCCC(=O)NCC(=O)N 527a_100000711301_100000210183 [0,2,0,0,0,0|1,0,1]=4 8678 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,2,0,0,0,0|1,0,0]=3 8679 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,2,0,0,0,0|1,0,0]=3 8680 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [0,2,0,0,0,0|1,0,0]=3 8681 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [0,2,0,0,0,0|1,0,0]=3 8682 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [0,2,0,0,0,0|0,0,0]=2 8683 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000126638_100011218427 [0,2,0,0,0,0|1,0,1]=4 8684 B10R0.78 CCCCC(C)NCC(C)O 2230a_100000210904_200011215066 [0,2,0,0,0,0|1,0,1]=4 8685 B10R0.78 CCCCC(C)NCC(C)O 270004a_100000210904_100000210087 [0,2,0,0,0,0|1,0,1]=4 8686 B10R0.78 CCCCC(C)NCC(C)O 34a_100000210904_200011215066 [0,2,0,0,0,0|1,0,1]=4 8687 B10R0.78 CCCCC(C)NC[C@@H](C)O 2230a_100000126638_100009817552 [0,2,0,0,0,0|1,0,1]=4 8688 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,2,0,0,0,0|1,0,0]=3 8689 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [0,2,0,0,0,0|1,0,0]=3 8690 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [0,2,0,0,0,0|1,0,0]=3 8691 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [0,2,0,0,0,0|0,0,1]=3 8692 B10R0.78 CCCCC(C)OCC(C)O 34a_100000687866_100011218427 [0,2,0,0,0,0|1,0,1]=4 8693 B10R0.78 CCCCC(C)OCC(C)O 7a_100000687866_100011218427 [0,2,0,0,0,0|1,0,1]=4 8694 B10R0.78 CCCCC(C)OC[C@@H](C)O 34a_100000687866_100009817552 [0,2,0,0,0,0|1,0,1]=4 8695 B10R0.78 CCCCC(C)OC[C@@H](C)O 7a_100000687866_100009817552 [0,2,0,0,0,0|1,0,1]=4 8696 B10R0.78 CCCCC(C)OC[N+](=O)[O-] 34a_100000687866_100000761209 [0,2,0,0,0,0|1,0,1]=4 8697 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [0,2,0,0,0,0|1,0,0]=3 8698 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [0,2,0,0,0,0|1,0,0]=3 8699 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [0,2,0,0,0,0|0,0,1]=3 8700 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [0,2,0,0,0,0|0,0,1]=3 8701 B10R0.78 CCCCC(C)SCC(C)O 62a_100011218427_200011215066 [0,2,0,0,0,0|1,0,1]=4 8702 B10R0.78 CCCCC(C)SCC(C)O 62a_200011215066_100011218427 [0,2,0,0,0,0|1,0,1]=4 8703 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_100009817552_200011215066 [0,2,0,0,0,0|1,0,1]=4 8704 B10R0.78 CCCCC(C)SC[C@@H](C)O 62a_200011215066_100009817552 [0,2,0,0,0,0|1,0,1]=4 8705 B10R0.78 CCCCC(C)SC[N+](=O)[O-] 62a_200011215066_100000761209 [0,2,0,0,0,0|1,0,1]=4 8706 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,2,0,0,0,0|1,0,0]=3 8707 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [0,2,0,0,0,0|1,0,0]=3 8708 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [0,2,0,0,0,0|1,0,0]=3 8709 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [0,2,0,0,0,0|1,0,0]=3 8710 B10R0.78 CCCCN(C)CCC(C)O 2230a_100000207549_100012276601 [0,2,0,0,0,0|1,0,1]=4 8711 B10R0.78 CCCCN(C)CCC(C)O 269982a_100000207549_100012276601 [0,2,0,0,0,0|1,0,1]=4 8712 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [0,2,0,0,0,0|2,0,0]=4 8713 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [0,2,0,0,0,0|1,0,1]=4 8714 B10R0.78 CCCNC(=O)CCC(=O)N 240690a_100020643023_100011215257 [0,2,0,0,0,0|1,0,1]=4 8715 B10R0.78 CCCNC(=O)CCC(=O)N 527a_100020643023_100011215257 [0,2,0,0,0,0|1,0,1]=4 8716 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [0,2,0,0,0,0|1,0,1]=4 8717 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [0,2,0,0,0,0|2,0,0]=4 8718 B10R0.78 CCCOC(C)CNC(=O)C 11a_100015185124_100015343762 [0,2,0,0,0,0|2,0,0]=4 8719 B10R0.78 CCCOC(C)CNC(=O)C 1626a_100015185124_100015343762 [0,2,0,0,0,0|2,0,0]=4 8720 B10R0.78 CCCOC(C)CNC(=O)C 240690a_100015185124_100015343762 [0,2,0,0,0,0|2,0,0]=4 8721 B10R0.78 CCCOC(C)CNC(=O)C 527a_100015185124_100103153847 [0,2,0,0,0,0|2,0,0]=4 8722 B10R0.78 CCNCC(=O)NCC(=O)O 269956a_100000183575_100000210202 [0,2,0,0,0,0|1,0,1]=4 8723 B10R0.78 CCNCC(C)CSC(=O)C 2230a_100015525214_200000116872 [0,2,0,0,0,0|2,0,0]=4 8724 B10R0.78 CCOCC(C)CSC(=O)C 34a_100121572206_200000116872 [0,2,0,0,0,0|2,0,0]=4 8725 B10R0.78 CCOCC(C)OCC(=O)N 34a_100000718985_100000187820 [0,2,0,0,0,0|2,0,0]=4 8726 B10R0.78 CCOCC(C)OCC(=O)N 7a_100000718985_100000187820 [0,2,0,0,0,0|2,0,0]=4 8727 B10R0.78 CCOCC(C)OCC(=O)[O-] 34a_100000718985_100020667443 [0,2,0,0,0,0|1,0,1]=4 8728 B10R0.78 CCOCC(O)CNC(=O)C 240690a_102515437182_100015343762 [0,2,0,0,0,0|2,0,0]=4 8729 B10R0.78 CCOCC(O)CNC(=O)C 527a_102515437182_100103153847 [0,2,0,0,0,0|2,0,0]=4 8730 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [0,2,0,0,0,0|2,0,0]=4 8731 B10R0.78 CCSCC(C)CSC(=O)C 62a_100000210202_200000116872 [0,2,0,0,0,0|2,0,0]=4 8732 B10R0.78 CCSCC(C)CSC(=O)C 62a_200000116872_100000210202 [0,2,0,0,0,0|2,0,0]=4 8733 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [0,2,0,0,0,0|2,0,0]=4 8734 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [0,2,0,0,0,0|2,0,0]=4 8735 B10R0.78 CN(CCCF)CCC(=O)N 2230a_100000730477_100011934791 [0,2,0,0,0,0|2,0,0]=4 8736 B10R0.78 CN(CCCO)CCC(=O)N 2230a_100000213112_100000744528 [0,2,0,0,0,0|2,0,0]=4 8737 B10R0.78 CN(CCCO)CCC(=O)N 2230a_100000730477_100000230001 [0,2,0,0,0,0|2,0,0]=4 8738 B10R0.78 CN(CCCO)CCC(=O)N 269982a_100000213112_100000744528 [0,2,0,0,0,0|2,0,0]=4 8739 B10R0.78 CNCCC(=O)NCC(=O)O 269956a_100000722369_200000210301 [0,2,0,0,0,0|1,0,1]=4 8740 B10R0.78 COCCC(=O)CCC(=O)N 1458a_100011215257_100000233755 [0,2,0,0,0,0|1,0,1]=4 8741 B10R0.78 COCCN(C)CCC(=O)C 1458a_200103286627_200000210301 [0,2,0,0,0,0|2,0,0]=4 8742 B10R0.78 COCCN(C)CCC(=O)C 269982a_100000743101_100000053229 [0,2,0,0,0,0|2,0,0]=4 8743 B10R0.78 COCCN(C)CCC(=O)N 2230a_100000730477_100011201679 [0,2,0,0,0,0|2,0,0]=4 8744 B10R0.78 COCCN(C)CCC(=O)N 2230a_100000743101_100000744528 [0,2,0,0,0,0|2,0,0]=4 8745 B10R0.78 COCCN(C)CCC(=O)N 269982a_100000743101_100000744528 [0,2,0,0,0,0|2,0,0]=4 8746 B10R0.78 COCCN(C)CCC(=O)[13CH3] 1458a_200103286627_200025704644 [0,2,0,0,0,0|2,0,0]=4 8747 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [0,2,0,0,0,0|1,0,1]=4 8748 B10R0.78 CSCCN(C)CCC(=O)C 269982a_100000686725_100000053229 [0,2,0,0,0,0|2,0,0]=4 8749 B10R0.78 CSCCN(C)CCC(=O)N 2230a_100000686725_100000744528 [0,2,0,0,0,0|2,0,0]=4 8750 B10R0.78 CSCCN(C)CCC(=O)N 2230a_100000730477_100000751147 [0,2,0,0,0,0|2,0,0]=4 8751 B10R0.78 CSCCN(C)CCC(=O)N 269982a_100000686725_100000744528 [0,2,0,0,0,0|2,0,0]=4 8752 B10R0.78 NC(=O)CCC(=O)CCCF 1458a_100011215257_100011934791 [0,2,0,0,0,0|1,0,1]=4 8753 B10R0.78 NC(=O)CCC(=O)CCCO 1458a_100011215257_100011215043 [0,2,0,0,0,0|1,0,1]=4 8754 B10R0.78 [13CH3]NCCC(=O)NCC(=O)O 269956a_100000722369_200025704644 [0,2,0,0,0,0|1,0,1]=4 8755 B10R0.97 C=C(Br)CCOCCC(C)C 34a_100009813270_100000210312 [0,2,0,0,0,0|2,0,0]=4 8756 B10R0.97 C=C(Br)CCOCCC(C)O 34a_100009813270_100012276601 [0,2,0,0,0,0|2,0,0]=4 8757 B10R0.97 C=C(C)CCNCCC(C)O 2230a_200000755665_100000730704 [0,2,0,0,0,0|2,0,0]=4 8758 B10R0.97 C=C(C)CCNOCC(=O)O 269956a_100000106656_100000730704 [0,2,0,0,0,0|1,0,1]=4 8759 B10R0.97 C=C(C)CCOCCC(=O)C 34a_100000759926_100000730704 [0,2,0,0,0,0|1,0,1]=4 8760 B10R0.97 C=C(C)CCOCCC(=O)C 7a_100000759926_100000730704 [0,2,0,0,0,0|1,0,1]=4 8761 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000757172_100000730704 [0,2,0,0,0,0|1,0,1]=4 8762 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000764851_100000731001 [0,2,0,0,0,0|1,0,1]=4 8763 B10R0.97 C=C(C)CCOCCC(=O)N 7a_100000757172_100000730704 [0,2,0,0,0,0|1,0,1]=4 8764 B10R0.97 C=C(C)CCOCCC(C)Br 34a_100009893172_100000730704 [0,2,0,0,0,0|2,0,0]=4 8765 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [0,2,0,0,0,0|2,0,0]=4 8766 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [0,2,0,0,0,0|2,0,0]=4 8767 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [0,2,0,0,0,0|2,0,0]=4 8768 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [0,2,0,0,0,0|2,0,0]=4 8769 B10R0.97 C=C(C)CCOCC[C@@H](C)N 34a_100000706166_100000730704 [0,2,0,0,0,0|2,0,0]=4 8770 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000053229_100000730704 [0,2,0,0,0,0|1,0,1]=4 8771 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000730704_100000053229 [0,2,0,0,0,0|1,0,1]=4 8772 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000730704_100000744528 [0,2,0,0,0,0|1,0,1]=4 8773 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000744528_100000730704 [0,2,0,0,0,0|1,0,1]=4 8774 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000210312_100000730704 [0,2,0,0,0,0|2,0,0]=4 8775 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000730704_100000210312 [0,2,0,0,0,0|2,0,0]=4 8776 B10R0.97 C=C(C)CCSCCC(C)O 62a_100000730704_100012276601 [0,2,0,0,0,0|2,0,0]=4 8777 B10R0.97 C=C(C)CCSCCC(C)O 62a_100012276601_100000730704 [0,2,0,0,0,0|2,0,0]=4 8778 B10R0.97 C=C(C)CNCCCC(=O)N 34a_100000739312_100000748629 [0,2,0,0,0,0|1,0,1]=4 8779 B10R0.97 C=C(C)CNCCCC(C)C 2230a_200000737386_100000748629 [0,2,0,0,0,0|2,0,0]=4 8780 B10R0.97 C=C(C)CNCCCC(C)C 34a_200000737386_100000748629 [0,2,0,0,0,0|2,0,0]=4 8781 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000210245_100000685027 [0,2,0,0,0,0|1,0,1]=4 8782 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000759063_100000748629 [0,2,0,0,0,0|1,0,1]=4 8783 B10R0.97 C=C(C)COCCCC(=O)C 7a_100000759063_100000748629 [0,2,0,0,0,0|1,0,1]=4 8784 B10R0.97 C=C(C)COCCCC(=O)N 34a_100000210245_100102525003 [0,2,0,0,0,0|1,0,1]=4 8785 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210245_100011214892 [0,2,0,0,0,0|2,0,0]=4 8786 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210774_100000748629 [0,2,0,0,0,0|2,0,0]=4 8787 B10R0.97 C=C(C)COCCCC(C)C 7a_100000210774_100000748629 [0,2,0,0,0,0|2,0,0]=4 8788 B10R0.97 C=C(C)COCCCC(C)O 34a_100000210245_200000718107 [0,2,0,0,0,0|2,0,0]=4 8789 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100000748629_100011215641 [0,2,0,0,0,0|1,0,1]=4 8790 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100011215641_100000211660 [0,2,0,0,0,0|1,0,1]=4 8791 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100000748629_100102525003 [0,2,0,0,0,0|1,0,1]=4 8792 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100102525003_100000211660 [0,2,0,0,0,0|1,0,1]=4 8793 B10R0.97 C=C(C)CSCCCC(C)C 62a_100000748629_100011214892 [0,2,0,0,0,0|2,0,0]=4 8794 B10R0.97 C=C(C)CSCCCC(C)C 62a_100011214892_100000211660 [0,2,0,0,0,0|2,0,0]=4 8795 B10R0.97 C=C(C)CSCCCC(C)O 62a_100000748629_200000718107 [0,2,0,0,0,0|2,0,0]=4 8796 B10R0.97 C=C(C)CSCCCC(C)O 62a_200000718107_100000211660 [0,2,0,0,0,0|2,0,0]=4 8797 B10R0.97 C=C(F)CNCCCC(C)C 2230a_200000737386_100009893438 [0,2,0,0,0,0|2,0,0]=4 8798 B10R0.97 C=C(F)CNCCCC(C)C 34a_200000737386_100009893438 [0,2,0,0,0,0|2,0,0]=4 8799 B10R0.97 C=C(F)COCCCC(C)C 34a_100000210774_100009893438 [0,2,0,0,0,0|2,0,0]=4 8800 B10R0.97 C=C(F)COCCCC(C)C 34a_200010262243_100011214892 [0,2,0,0,0,0|2,0,0]=4 8801 B10R0.97 C=C(F)COCCCC(C)C 7a_100000210774_100000042424 [0,2,0,0,0,0|2,0,0]=4 8802 B10R0.97 C=C(F)COCCCC(C)O 34a_200010262243_200000718107 [0,2,0,0,0,0|2,0,0]=4 8803 B10R0.97 C=C(F)CSCCCC(C)C 62a_100000042424_100011214892 [0,2,0,0,0,0|2,0,0]=4 8804 B10R0.97 C=C(F)CSCCCC(C)C 62a_100011214892_100000042424 [0,2,0,0,0,0|2,0,0]=4 8805 B10R0.97 C=C(F)CSCCCC(C)O 62a_100000042424_200000718107 [0,2,0,0,0,0|2,0,0]=4 8806 B10R0.97 C=C(F)CSCCCC(C)O 62a_200000718107_100000042424 [0,2,0,0,0,0|2,0,0]=4 8807 B10R0.97 CC(=CCCNCC(=O)O)C 269956a_100016091260_100011217483 [0,2,0,0,0,0|0,0,2]=4 8808 B10R0.97 CC(=O)CCCCCB(O)O 1458a_100000070787_200009817188 [0,2,0,0,0,0|1,0,1]=4 8809 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,2,0,0,0,0|1,0,0]=3 8810 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,2,0,0,0,0|1,0,0]=3 8811 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,2,0,0,0,0|1,0,0]=3 8812 B10R0.97 CC(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200000210301 [0,2,0,0,0,0|1,0,1]=4 8813 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,2,0,0,0,0|1,0,0]=3 8814 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,2,0,0,0,0|1,0,1]=4 8815 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,2,0,0,0,0|1,0,0]=3 8816 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,2,0,0,0,0|1,0,1]=4 8817 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,2,0,0,0,0|1,0,0]=3 8818 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,2,0,0,0,0|1,0,0]=3 8819 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,2,0,0,0,0|0,0,1]=3 8820 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,2,0,0,0,0|1,0,0]=3 8821 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,2,0,0,0,0|1,0,0]=3 8822 B10R0.97 CC(=O)CCCNCC(F)F 34a_100000765723_100000685027 [0,2,0,0,0,0|2,0,0]=4 8823 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [0,2,0,0,0,0|1,0,1]=4 8824 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [0,2,0,0,0,0|1,0,1]=4 8825 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [0,2,0,0,0,0|1,0,1]=4 8826 B10R0.97 CC(=O)CCCOCC(=O)[O-] 34a_100000759063_100020667443 [0,2,0,0,0,0|0,0,2]=4 8827 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,2,0,0,0,0|1,0,0]=3 8828 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,2,0,0,0,0|1,0,0]=3 8829 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,2,0,0,0,0|1,0,0]=3 8830 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,2,0,0,0,0|1,0,0]=3 8831 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,2,0,0,0,0|1,0,0]=3 8832 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,2,0,0,0,0|1,0,0]=3 8833 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,2,0,0,0,0|1,0,0]=3 8834 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000743014_100000685027 [0,2,0,0,0,0|2,0,0]=4 8835 B10R0.97 CC(=O)CCCOCC(F)F 34a_100000759063_100011934356 [0,2,0,0,0,0|2,0,0]=4 8836 B10R0.97 CC(=O)CCCOCC(F)F 7a_100000759063_100011934356 [0,2,0,0,0,0|2,0,0]=4 8837 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,2,0,0,0,0|1,0,0]=3 8838 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,2,0,0,0,0|1,0,0]=3 8839 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,2,0,0,0,0|1,0,0]=3 8840 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,2,0,0,0,0|1,0,0]=3 8841 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100000747473_100011215641 [0,2,0,0,0,0|1,0,1]=4 8842 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100011215641_100000747473 [0,2,0,0,0,0|1,0,1]=4 8843 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100011215641_100020667443 [0,2,0,0,0,0|0,0,2]=4 8844 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011215641 [0,2,0,0,0,0|0,0,2]=4 8845 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,2,0,0,0,0|1,0,0]=3 8846 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,2,0,0,0,0|1,0,0]=3 8847 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,2,0,0,0,0|1,0,0]=3 8848 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,2,0,0,0,0|1,0,0]=3 8849 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011215641_100011934356 [0,2,0,0,0,0|2,0,0]=4 8850 B10R0.97 CC(=O)CCCSCC(F)F 62a_100011934356_100011215641 [0,2,0,0,0,0|2,0,0]=4 8851 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,2,0,0,0,0|1,0,0]=3 8852 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,2,0,0,0,0|1,0,0]=3 8853 B10R0.97 CC(=O)CCNOCC(=O)O 269956a_100000106656_100000053229 [0,2,0,0,0,0|1,0,1]=4 8854 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [0,2,0,0,0,0|1,0,1]=4 8855 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [0,2,0,0,0,0|1,0,1]=4 8856 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [0,2,0,0,0,0|1,0,1]=4 8857 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [0,2,0,0,0,0|1,0,1]=4 8858 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,2,0,0,0,0|1,0,0]=3 8859 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,2,0,0,0,0|1,0,0]=3 8860 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,2,0,0,0,0|1,0,0]=3 8861 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,2,0,0,0,0|1,0,0]=3 8862 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,2,0,0,0,0|1,0,0]=3 8863 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [0,2,0,0,0,0|2,0,0]=4 8864 B10R0.97 CC(=O)CCOCOC(C)C 34a_100000759926_100000709892 [0,2,0,0,0,0|2,0,0]=4 8865 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [0,2,0,0,0,0|1,0,1]=4 8866 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [0,2,0,0,0,0|1,0,1]=4 8867 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [0,2,0,0,0,0|1,0,1]=4 8868 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,2,0,0,0,0|1,0,0]=3 8869 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,2,0,0,0,0|1,0,0]=3 8870 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,2,0,0,0,0|1,0,0]=3 8871 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,2,0,0,0,0|1,0,0]=3 8872 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [0,2,0,0,0,0|2,0,0]=4 8873 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000053229_100000709892 [0,2,0,0,0,0|2,0,0]=4 8874 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000709892_100000053229 [0,2,0,0,0,0|2,0,0]=4 8875 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [0,2,0,0,0,0|1,0,1]=4 8876 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,2,0,0,0,0|1,0,0]=3 8877 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,2,0,0,0,0|1,0,0]=3 8878 B10R0.97 CC(=O)COCCOC(C)C 34a_100000211253_100000211751 [0,2,0,0,0,0|2,0,0]=4 8879 B10R0.97 CC(=O)COCCSC(C)C 34a_100000211253_100000730970 [0,2,0,0,0,0|2,0,0]=4 8880 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [0,2,0,0,0,0|1,0,1]=4 8881 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [0,2,0,0,0,0|1,0,1]=4 8882 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [0,2,0,0,0,0|1,0,1]=4 8883 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [0,2,0,0,0,0|1,0,1]=4 8884 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [0,2,0,0,0,0|2,0,0]=4 8885 B10R0.97 CC(=O)NCCCNC(C)C 34a_100000736810_100000210206 [0,2,0,0,0,0|2,0,0]=4 8886 B10R0.97 CC(=O)NCCCOC(C)C 11a_100000737246_100015343762 [0,2,0,0,0,0|2,0,0]=4 8887 B10R0.97 CC(=O)NCCCOC(C)C 1626a_100000737246_100015343762 [0,2,0,0,0,0|2,0,0]=4 8888 B10R0.97 CC(=O)NCCCOC(C)C 240690a_100000737246_100015343762 [0,2,0,0,0,0|2,0,0]=4 8889 B10R0.97 CC(=O)NCCCOC(C)C 34a_100000752032_100000210206 [0,2,0,0,0,0|2,0,0]=4 8890 B10R0.97 CC(=O)NCCCOC(C)C 527a_100000737246_100103153847 [0,2,0,0,0,0|2,0,0]=4 8891 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [0,2,0,0,0,0|1,0,1]=4 8892 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [0,2,0,0,0,0|2,0,0]=4 8893 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [0,2,0,0,0,0|2,0,0]=4 8894 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [0,2,0,0,0,0|2,0,0]=4 8895 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [0,2,0,0,0,0|2,0,0]=4 8896 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [0,2,0,0,0,0|2,0,0]=4 8897 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [0,2,0,0,0,0|2,0,0]=4 8898 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [0,2,0,0,0,0|2,0,0]=4 8899 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [0,2,0,0,0,0|2,0,0]=4 8900 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [0,2,0,0,0,0|2,0,0]=4 8901 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [0,2,0,0,0,0|2,0,0]=4 8902 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [0,2,0,0,0,0|2,0,0]=4 8903 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [0,2,0,0,0,0|2,0,0]=4 8904 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [0,2,0,0,0,0|2,0,0]=4 8905 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [0,2,0,0,0,0|2,0,0]=4 8906 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,2,0,0,0,0|2,0,0]=4 8907 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [0,2,0,0,0,0|2,0,0]=4 8908 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [0,2,0,0,0,0|2,0,0]=4 8909 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [0,2,0,0,0,0|2,0,0]=4 8910 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [0,2,0,0,0,0|2,0,0]=4 8911 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [0,2,0,0,0,0|1,0,1]=4 8912 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [0,2,0,0,0,0|2,0,0]=4 8913 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,2,0,0,0,0|2,0,0]=4 8914 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [0,2,0,0,0,0|2,0,0]=4 8915 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [0,2,0,0,0,0|2,0,0]=4 8916 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [0,2,0,0,0,0|2,0,0]=4 8917 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [0,2,0,0,0,0|2,0,0]=4 8918 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [0,2,0,0,0,0|2,0,0]=4 8919 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [0,2,0,0,0,0|2,0,0]=4 8920 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [0,2,0,0,0,0|2,0,0]=4 8921 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,2,0,0,0,0|2,0,0]=4 8922 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,2,0,0,0,0|2,0,0]=4 8923 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,2,0,0,0,0|2,0,0]=4 8924 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,2,0,0,0,0|2,0,0]=4 8925 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [0,2,0,0,0,0|2,0,0]=4 8926 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [0,2,0,0,0,0|2,0,0]=4 8927 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [0,2,0,0,0,0|2,0,0]=4 8928 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [0,2,0,0,0,0|2,0,0]=4 8929 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [0,2,0,0,0,0|2,0,0]=4 8930 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,2,0,0,0,0|2,0,0]=4 8931 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,2,0,0,0,0|2,0,0]=4 8932 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [0,2,0,0,0,0|2,0,0]=4 8933 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [0,2,0,0,0,0|2,0,0]=4 8934 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [0,2,0,0,0,0|2,0,0]=4 8935 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [0,2,0,0,0,0|2,0,0]=4 8936 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [0,2,0,0,0,0|2,0,0]=4 8937 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [0,2,0,0,0,0|2,0,0]=4 8938 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [0,2,0,0,0,0|2,0,0]=4 8939 B10R0.97 CC(Br)CCOCCC(=O)N 34a_100009893172_100000731001 [0,2,0,0,0,0|1,0,0]=3 8940 B10R0.97 CC(Br)COCCCC(=O)N 34a_100012180447_100102525003 [0,2,0,0,0,0|1,0,0]=3 8941 B10R0.97 CC(Br)COCCOC(=O)N 34a_100012180447_200011214921 [0,2,0,0,0,0|2,0,0]=4 8942 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,2,0,0,0,0|1,0,0]=3 8943 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [0,2,0,0,0,0|1,0,0]=3 8944 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [0,2,0,0,0,0|1,0,0]=3 8945 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [0,2,0,0,0,0|1,0,0]=3 8946 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,2,0,0,0,0|0,0,0]=2 8947 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [0,2,0,0,0,0|0,0,1]=3 8948 B10R0.97 CC(C)CCCNCC(C)O 2230a_100000210904_100011214892 [0,2,0,0,0,0|1,0,1]=4 8949 B10R0.97 CC(C)CCCNCC(C)O 2230a_200000737386_100011218427 [0,2,0,0,0,0|1,0,1]=4 8950 B10R0.97 CC(C)CCCNCC(C)O 34a_100000210904_100011214892 [0,2,0,0,0,0|1,0,1]=4 8951 B10R0.97 CC(C)CCCNCC(C)O 34a_200000737386_100011218427 [0,2,0,0,0,0|1,0,1]=4 8952 B10R0.97 CC(C)CCCNC[C@@H](C)O 2230a_200000737386_100009817552 [0,2,0,0,0,0|1,0,1]=4 8953 B10R0.97 CC(C)CCCNC[C@@H](C)O 34a_200000737386_100009817552 [0,2,0,0,0,0|1,0,1]=4 8954 B10R0.97 CC(C)CCCNC[N+](=O)[O-] 34a_200000737386_100000761209 [0,2,0,0,0,0|1,0,1]=4 8955 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [0,2,0,0,0,0|1,0,0]=3 8956 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [0,2,0,0,0,0|1,0,0]=3 8957 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [0,2,0,0,0,0|0,0,1]=3 8958 B10R0.97 CC(C)CCCOCC(C)O 34a_100000210774_100011218427 [0,2,0,0,0,0|1,0,1]=4 8959 B10R0.97 CC(C)CCCOCC(C)O 7a_100000210774_100011218427 [0,2,0,0,0,0|1,0,1]=4 8960 B10R0.97 CC(C)CCCOC[C@@H](C)O 34a_100000210774_100009817552 [0,2,0,0,0,0|1,0,1]=4 8961 B10R0.97 CC(C)CCCOC[C@@H](C)O 7a_100000210774_100009817552 [0,2,0,0,0,0|1,0,1]=4 8962 B10R0.97 CC(C)CCCOC[N+](=O)[O-] 34a_100000210774_100000761209 [0,2,0,0,0,0|1,0,1]=4 8963 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [0,2,0,0,0,0|1,0,0]=3 8964 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [0,2,0,0,0,0|1,0,0]=3 8965 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [0,2,0,0,0,0|0,0,1]=3 8966 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [0,2,0,0,0,0|0,0,1]=3 8967 B10R0.97 CC(C)CCCSCC(C)O 62a_100011214892_100011218427 [0,2,0,0,0,0|1,0,1]=4 8968 B10R0.97 CC(C)CCCSCC(C)O 62a_100011218427_100011214892 [0,2,0,0,0,0|1,0,1]=4 8969 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100009817552_100011214892 [0,2,0,0,0,0|1,0,1]=4 8970 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100011214892_100009817552 [0,2,0,0,0,0|1,0,1]=4 8971 B10R0.97 CC(C)CCCSC[N+](=O)[O-] 62a_100011214892_100000761209 [0,2,0,0,0,0|1,0,1]=4 8972 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [0,2,0,0,0,0|1,0,0]=3 8973 B10R0.97 CC(C)CCNCCC(C)O 2230a_200000755665_100000210312 [0,2,0,0,0,0|1,0,1]=4 8974 B10R0.97 CC(C)CCNCCC(C)O 269862a_200000755665_100000185833 [0,2,0,0,0,0|1,0,1]=4 8975 B10R0.97 CC(C)CCNOCC(=O)O 269956a_100000106656_100000210312 [0,2,0,0,0,0|1,0,0]=3 8976 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [0,2,0,0,0,0|1,0,0]=3 8977 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [0,2,0,0,0,0|1,0,0]=3 8978 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [0,2,0,0,0,0|1,0,0]=3 8979 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [0,2,0,0,0,0|1,0,0]=3 8980 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [0,2,0,0,0,0|1,0,1]=4 8981 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [0,2,0,0,0,0|1,0,1]=4 8982 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [0,2,0,0,0,0|1,0,0]=3 8983 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [0,2,0,0,0,0|1,0,0]=3 8984 B10R0.97 CC(C)CCSCCC(C)O 62a_100000210312_100012276601 [0,2,0,0,0,0|1,0,1]=4 8985 B10R0.97 CC(C)CCSCCC(C)O 62a_100012276601_100000210312 [0,2,0,0,0,0|1,0,1]=4 8986 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [0,2,0,0,0,0|1,0,0]=3 8987 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [0,2,0,0,0,0|1,0,0]=3 8988 B10R0.97 CC(C)CNCCCC(C)O 2230a_100000210953_200000718107 [0,2,0,0,0,0|1,0,1]=4 8989 B10R0.97 CC(C)CNCCCC(C)O 34a_100000210953_200000718107 [0,2,0,0,0,0|1,0,1]=4 8990 B10R0.97 CC(C)CNCCCS(=O)C 2230a_200000753449_100000210760 [0,2,0,0,0,0|2,0,0]=4 8991 B10R0.97 CC(C)CNCCCS(=O)C 270004a_200000753449_100000210432 [0,2,0,0,0,0|2,0,0]=4 8992 B10R0.97 CC(C)CNCCNC(=O)N 2230a_100000210953_200000034859 [0,2,0,0,0,0|2,0,0]=4 8993 B10R0.97 CC(C)CNCCNC(=O)N 34a_100020590234_100000210624 [0,2,0,0,0,0|2,0,0]=4 8994 B10R0.97 CC(C)CNCCOC(=O)N 34a_100000210953_200011214921 [0,2,0,0,0,0|2,0,0]=4 8995 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [0,2,0,0,0,0|1,0,0]=3 8996 B10R0.97 CC(C)COCCCC(C)O 34a_100000210257_200000718107 [0,2,0,0,0,0|1,0,1]=4 8997 B10R0.97 CC(C)COCCC[N+](=O)[O-] 34a_200000037920_100000210624 [0,2,0,0,0,0|1,0,1]=4 8998 B10R0.97 CC(C)COCCNC(=O)N 34a_100000181757_100000210624 [0,2,0,0,0,0|2,0,0]=4 8999 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [0,2,0,0,0,0|2,0,0]=4 9000 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [0,2,0,0,0,0|2,0,0]=4 9001 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [0,2,0,0,0,0|1,0,0]=3 9002 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [0,2,0,0,0,0|1,0,0]=3 9003 B10R0.97 CC(C)CSCCCC(C)O 62a_100000210624_200000718107 [0,2,0,0,0,0|1,0,1]=4 9004 B10R0.97 CC(C)CSCCCC(C)O 62a_200000718107_100000210760 [0,2,0,0,0,0|1,0,1]=4 9005 B10R0.97 CC(C)CSCCNC(=O)N 62a_100000210624_200000034859 [0,2,0,0,0,0|2,0,0]=4 9006 B10R0.97 CC(C)CSCCNC(=O)N 62a_200000034859_100000210760 [0,2,0,0,0,0|2,0,0]=4 9007 B10R0.97 CC(C)CSCCOC(=O)N 62a_100000210624_200011214921 [0,2,0,0,0,0|2,0,0]=4 9008 B10R0.97 CC(C)CSCCOC(=O)N 62a_200011214921_100000210760 [0,2,0,0,0,0|2,0,0]=4 9009 B10R0.97 CC(C)NCCCCB(O)O 2230a_100138425928_200009817182 [0,2,0,0,0,0|1,0,1]=4 9010 B10R0.97 CC(C)NCCCCB(O)O 34a_100138425928_200009817182 [0,2,0,0,0,0|1,0,1]=4 9011 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [0,2,0,0,0,0|1,0,0]=3 9012 B10R0.97 CC(C)NCCOCC(=O)N 2230a_100138425928_100000076697 [0,2,0,0,0,0|2,0,0]=4 9013 B10R0.97 CC(C)NCCOCC(=O)N 34a_100000224655_100000187820 [0,2,0,0,0,0|2,0,0]=4 9014 B10R0.97 CC(C)NCCOCC(=O)N 34a_100138425928_100000076697 [0,2,0,0,0,0|2,0,0]=4 9015 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [0,2,0,0,0,0|1,0,0]=3 9016 B10R0.97 CC(C)NCCOCC(=O)[O-] 34a_100000224655_100020667443 [0,2,0,0,0,0|1,0,1]=4 9017 B10R0.97 CC(C)OCCCCB(O)O 34a_100000212225_200009817182 [0,2,0,0,0,0|1,0,1]=4 9018 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [0,2,0,0,0,0|1,0,0]=3 9019 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [0,2,0,0,0,0|1,0,0]=3 9020 B10R0.97 CC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100000210206 [0,2,0,0,0,0|1,0,1]=4 9021 B10R0.97 CC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100000210206 [0,2,0,0,0,0|1,0,1]=4 9022 B10R0.97 CC(C)OCCNCC(=O)N 2230a_100000701111_100000747473 [0,2,0,0,0,0|2,0,0]=4 9023 B10R0.97 CC(C)OCCNCC(=O)N 2230a_100000711301_100000211751 [0,2,0,0,0,0|2,0,0]=4 9024 B10R0.97 CC(C)OCCNCC(=O)N 34a_100000701111_100000187820 [0,2,0,0,0,0|2,0,0]=4 9025 B10R0.97 CC(C)OCCNCC(=O)O 269956a_100016091260_100000211751 [0,2,0,0,0,0|1,0,0]=3 9026 B10R0.97 CC(C)OCCNCC(=O)[O-] 34a_100000701111_100020667443 [0,2,0,0,0,0|1,0,1]=4 9027 B10R0.97 CC(C)OCCOCC(=O)N 34a_100000211219_100000187820 [0,2,0,0,0,0|2,0,0]=4 9028 B10R0.97 CC(C)OCCOCC(=O)N 34a_100000212225_100000076697 [0,2,0,0,0,0|2,0,0]=4 9029 B10R0.97 CC(C)OCCOCC(=O)N 7a_100000211219_100000187820 [0,2,0,0,0,0|2,0,0]=4 9030 B10R0.97 CC(C)OCCOCC(=O)[O-] 34a_100000211219_100020667443 [0,2,0,0,0,0|1,0,1]=4 9031 B10R0.97 CC(C)OCCSCC(=O)N 62a_100000211751_100000747473 [0,2,0,0,0,0|2,0,0]=4 9032 B10R0.97 CC(C)OCCSCC(=O)N 62a_100000747473_100000211751 [0,2,0,0,0,0|2,0,0]=4 9033 B10R0.97 CC(C)OCCSCC(=O)[O-] 62a_100000211751_100020667443 [0,2,0,0,0,0|1,0,1]=4 9034 B10R0.97 CC(C)OCCSCC(=O)[O-] 62a_100020667443_100000211751 [0,2,0,0,0,0|1,0,1]=4 9035 B10R0.97 CC(C)OCNOCC(=O)O 269956a_100000106656_100000709892 [0,2,0,0,0,0|2,0,0]=4 9036 B10R0.97 CC(C)OCOCCC(=O)N 34a_100000757172_100000709892 [0,2,0,0,0,0|2,0,0]=4 9037 B10R0.97 CC(C)OCSCCC(=O)N 62a_100000709892_100000744528 [0,2,0,0,0,0|2,0,0]=4 9038 B10R0.97 CC(C)OCSCCC(=O)N 62a_100000744528_100000709892 [0,2,0,0,0,0|2,0,0]=4 9039 B10R0.97 CC(C)SCCCCB(O)O 62a_100000210206_200009817182 [0,2,0,0,0,0|1,0,1]=4 9040 B10R0.97 CC(C)SCCCCB(O)O 62a_200009817182_100000210206 [0,2,0,0,0,0|1,0,1]=4 9041 B10R0.97 CC(C)SCCNCC(=O)N 2230a_100000711301_100000730970 [0,2,0,0,0,0|2,0,0]=4 9042 B10R0.97 CC(C)SCCNCC(=O)N 2230a_100000731138_100000747473 [0,2,0,0,0,0|2,0,0]=4 9043 B10R0.97 CC(C)SCCNCC(=O)N 34a_100000731138_100000187820 [0,2,0,0,0,0|2,0,0]=4 9044 B10R0.97 CC(C)SCCNCC(=O)O 269956a_100016091260_100000730970 [0,2,0,0,0,0|1,0,0]=3 9045 B10R0.97 CC(C)SCCNCC(=O)[O-] 34a_100000731138_100020667443 [0,2,0,0,0,0|1,0,1]=4 9046 B10R0.97 CC(C)SCCOCC(=O)N 34a_200011212901_100000187820 [0,2,0,0,0,0|2,0,0]=4 9047 B10R0.97 CC(C)SCCOCC(=O)N 62a_100000076697_100000210206 [0,2,0,0,0,0|2,0,0]=4 9048 B10R0.97 CC(C)SCCOCC(=O)N 62a_100000210206_100000076697 [0,2,0,0,0,0|2,0,0]=4 9049 B10R0.97 CC(C)SCCOCC(=O)N 7a_200011212901_100000187820 [0,2,0,0,0,0|2,0,0]=4 9050 B10R0.97 CC(C)SCCOCC(=O)[O-] 34a_200011212901_100020667443 [0,2,0,0,0,0|1,0,1]=4 9051 B10R0.97 CC(C)SCCSCC(=O)N 62a_100000730970_100000747473 [0,2,0,0,0,0|2,0,0]=4 9052 B10R0.97 CC(C)SCCSCC(=O)N 62a_100000747473_100000730970 [0,2,0,0,0,0|2,0,0]=4 9053 B10R0.97 CC(C)SCCSCC(=O)[O-] 62a_100000730970_100020667443 [0,2,0,0,0,0|1,0,1]=4 9054 B10R0.97 CC(C)SCCSCC(=O)[O-] 62a_100020667443_100000730970 [0,2,0,0,0,0|1,0,1]=4 9055 B10R0.97 CC(F)COCCCC(=O)N 34a_100015925927_100102525003 [0,2,0,0,0,0|1,0,0]=3 9056 B10R0.97 CC(F)COCCOC(=O)N 34a_100015925927_200011214921 [0,2,0,0,0,0|2,0,0]=4 9057 B10R0.97 CC(O)CCCNCC(=O)N 2230a_100000711301_200000718107 [0,2,0,0,0,0|1,0,0]=3 9058 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [0,2,0,0,0,0|0,0,0]=2 9059 B10R0.97 CC(O)CCCNCC(C)O 2230a_100000210904_200000718107 [0,2,0,0,0,0|1,0,1]=4 9060 B10R0.97 CC(O)CCCNCC(C)O 34a_100000210904_200000718107 [0,2,0,0,0,0|1,0,1]=4 9061 B10R0.97 CC(O)CCCOCC(C)Br 34a_100012180447_200000718107 [0,2,0,0,0,0|1,0,1]=4 9062 B10R0.97 CC(O)CCCOCC(C)F 34a_100015925927_200000718107 [0,2,0,0,0,0|1,0,1]=4 9063 B10R0.97 CC(O)CCCOC[C@@H](C)Cl 34a_100016084084_200000718107 [0,2,0,0,0,0|1,0,1]=4 9064 B10R0.97 CC(O)CCCOC[C@@H](C)N 34a_100000737577_200000718107 [0,2,0,0,0,0|1,0,1]=4 9065 B10R0.97 CC(O)CCCSCC(=O)N 62a_100000747473_200000718107 [0,2,0,0,0,0|1,0,0]=3 9066 B10R0.97 CC(O)CCCSCC(=O)N 62a_200000718107_100000747473 [0,2,0,0,0,0|1,0,0]=3 9067 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [0,2,0,0,0,0|0,0,1]=3 9068 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [0,2,0,0,0,0|0,0,1]=3 9069 B10R0.97 CC(O)CCCSCC(C)O 62a_100011218427_200000718107 [0,2,0,0,0,0|1,0,1]=4 9070 B10R0.97 CC(O)CCCSCC(C)O 62a_200000718107_100011218427 [0,2,0,0,0,0|1,0,1]=4 9071 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_100009817552_200000718107 [0,2,0,0,0,0|1,0,1]=4 9072 B10R0.97 CC(O)CCCSC[C@@H](C)O 62a_200000718107_100009817552 [0,2,0,0,0,0|1,0,1]=4 9073 B10R0.97 CC(O)CCCSC[N+](=O)[O-] 62a_200000718107_100000761209 [0,2,0,0,0,0|1,0,1]=4 9074 B10R0.97 CC(O)CCNCCC(=O)N 2230a_200000755665_100000744528 [0,2,0,0,0,0|1,0,0]=3 9075 B10R0.97 CC(O)CCNCCC(C)O 2230a_200000755665_100012276601 [0,2,0,0,0,0|1,0,1]=4 9076 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [0,2,0,0,0,0|1,0,0]=3 9077 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [0,2,0,0,0,0|1,0,0]=3 9078 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [0,2,0,0,0,0|1,0,0]=3 9079 B10R0.97 CC(O)CCOCCC(C)Br 34a_100009893172_100012276601 [0,2,0,0,0,0|1,0,1]=4 9080 B10R0.97 CC(O)CCOCC[C@@H](C)N 34a_100000706166_100012276601 [0,2,0,0,0,0|1,0,1]=4 9081 B10R0.97 CC(O)CCSCCC(=O)N 62a_100000744528_100012276601 [0,2,0,0,0,0|1,0,0]=3 9082 B10R0.97 CC(O)CCSCCC(=O)N 62a_100012276601_100000744528 [0,2,0,0,0,0|1,0,0]=3 9083 B10R0.97 CC(O)CCSCCC(C)O 62a_100012276601_100012276601 [0,2,0,0,0,0|1,0,1]=4 9084 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000210904_100102525003 [0,2,0,0,0,0|1,0,0]=3 9085 B10R0.97 CC(O)CNCCCC(=O)N 34a_100000739312_100011218427 [0,2,0,0,0,0|1,0,0]=3 9086 B10R0.97 CC(O)CNCCCS(=O)C 2230a_200000753449_100011218427 [0,2,0,0,0,0|2,0,0]=4 9087 B10R0.97 CC(O)CNCCNC(=O)N 2230a_100000210904_200000034859 [0,2,0,0,0,0|2,0,0]=4 9088 B10R0.97 CC(O)CNCCNC(=O)N 34a_100020590234_100011218427 [0,2,0,0,0,0|2,0,0]=4 9089 B10R0.97 CC(O)CNCCOC(=O)N 34a_100000210904_200011214921 [0,2,0,0,0,0|2,0,0]=4 9090 B10R0.97 CC(O)COCCC[N+](=O)[O-] 34a_200000037920_100011218427 [0,2,0,0,0,0|1,0,1]=4 9091 B10R0.97 CC(O)COCCNC(=O)N 34a_100000181757_100011218427 [0,2,0,0,0,0|2,0,0]=4 9092 B10R0.97 CC(O)COCCOC(=O)N 7a_100000766696_100011218427 [0,2,0,0,0,0|2,0,0]=4 9093 B10R0.97 CC(O)CSCCCC(=O)N 62a_100011218427_100102525003 [0,2,0,0,0,0|1,0,0]=3 9094 B10R0.97 CC(O)CSCCCC(=O)N 62a_100102525003_100011218427 [0,2,0,0,0,0|1,0,0]=3 9095 B10R0.97 CC(O)CSCCNC(=O)N 62a_100011218427_200000034859 [0,2,0,0,0,0|2,0,0]=4 9096 B10R0.97 CC(O)CSCCNC(=O)N 62a_200000034859_100011218427 [0,2,0,0,0,0|2,0,0]=4 9097 B10R0.97 CC(O)CSCCOC(=O)N 62a_100011218427_200011214921 [0,2,0,0,0,0|2,0,0]=4 9098 B10R0.97 CC(O)CSCCOC(=O)N 62a_200011214921_100011218427 [0,2,0,0,0,0|2,0,0]=4 9099 B10R0.97 CN(C)CCCCCB(O)O 2230a_100102631434_200009817188 [0,2,0,0,0,0|1,0,1]=4 9100 B10R0.97 CN(C)CCCCCB(O)O 269982a_100102631434_200009817188 [0,2,0,0,0,0|1,0,1]=4 9101 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [0,2,0,0,0,0|1,0,0]=3 9102 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [0,2,0,0,0,0|1,0,0]=3 9103 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [0,2,0,0,0,0|1,0,0]=3 9104 B10R0.97 CN(C)CCCSCC(=O)N 62a_100000747473_100000757444 [0,2,0,0,0,0|2,0,0]=4 9105 B10R0.97 CN(C)CCCSCC(=O)[O-] 62a_100020667443_100000757444 [0,2,0,0,0,0|1,0,1]=4 9106 B10R0.97 CN(C)CCNOCC(=O)O 269956a_100000106656_100000755713 [0,2,0,0,0,0|2,0,0]=4 9107 B10R0.97 CN(C)CCOCCC(=O)N 7a_100000757172_100000755713 [0,2,0,0,0,0|2,0,0]=4 9108 B10R0.97 CN(C)CCSCCC(=O)N 62a_100000744528_100000755713 [0,2,0,0,0,0|2,0,0]=4 9109 B10R0.97 CS(=O)CCCNCC(=O)N 2230a_200000753449_100000747473 [0,2,0,0,0,0|2,0,0]=4 9110 B10R0.97 C[C@@H](Cl)COCCCC(=O)N 34a_100016084084_100102525003 [0,2,0,0,0,0|1,0,0]=3 9111 B10R0.97 C[C@@H](Cl)COCCOC(=O)N 34a_100016084084_200011214921 [0,2,0,0,0,0|2,0,0]=4 9112 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [0,2,0,0,0,0|1,0,0]=3 9113 B10R0.97 C[C@@H](N)COCCCC(=O)N 34a_100000737577_100102525003 [0,2,0,0,0,0|1,0,0]=3 9114 B10R0.97 C[C@@H](N)COCCOC(=O)N 34a_100000737577_200011214921 [0,2,0,0,0,0|2,0,0]=4 9115 B10R0.97 C[C@@H](O)CNCCCC(=O)N 34a_100000739312_100009817552 [0,2,0,0,0,0|1,0,0]=3 9116 B10R0.97 C[C@@H](O)CNCCCS(=O)C 2230a_200000753449_100009817552 [0,2,0,0,0,0|2,0,0]=4 9117 B10R0.97 C[C@@H](O)CNCCNC(=O)N 34a_100020590234_100009817552 [0,2,0,0,0,0|2,0,0]=4 9118 B10R0.97 C[C@@H](O)COCCC[N+](=O)[O-] 34a_200000037920_100009817552 [0,2,0,0,0,0|1,0,1]=4 9119 B10R0.97 C[C@@H](O)COCCNC(=O)N 34a_100000181757_100009817552 [0,2,0,0,0,0|2,0,0]=4 9120 B10R0.97 C[C@@H](O)COCCOC(=O)N 7a_100000766696_100009817552 [0,2,0,0,0,0|2,0,0]=4 9121 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100009817552_100102525003 [0,2,0,0,0,0|1,0,0]=3 9122 B10R0.97 C[C@@H](O)CSCCCC(=O)N 62a_100102525003_100009817552 [0,2,0,0,0,0|1,0,0]=3 9123 B10R0.97 C[C@@H](O)CSCCNC(=O)N 62a_100009817552_200000034859 [0,2,0,0,0,0|2,0,0]=4 9124 B10R0.97 C[C@@H](O)CSCCNC(=O)N 62a_200000034859_100009817552 [0,2,0,0,0,0|2,0,0]=4 9125 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_100009817552_200011214921 [0,2,0,0,0,0|2,0,0]=4 9126 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_200011214921_100009817552 [0,2,0,0,0,0|2,0,0]=4 9127 B10R0.97 NC(=O)CCCNCC(=O)O 269956a_100016091260_100102525003 [0,2,0,0,0,0|1,0,1]=4 9128 B10R0.97 NC(=O)CCCNCC(F)F 34a_100000739312_100011934356 [0,2,0,0,0,0|2,0,0]=4 9129 B10R0.97 NC(=O)CCCNCC(F)F 34a_100000765723_100102525003 [0,2,0,0,0,0|2,0,0]=4 9130 B10R0.97 NC(=O)CCCOCC(F)F 34a_100000743014_100102525003 [0,2,0,0,0,0|2,0,0]=4 9131 B10R0.97 NC(=O)CCCSCC(F)F 62a_100011934356_100102525003 [0,2,0,0,0,0|2,0,0]=4 9132 B10R0.97 NC(=O)CCCSCC(F)F 62a_100102525003_100011934356 [0,2,0,0,0,0|2,0,0]=4 9133 B10R0.97 NC(=O)CCOCCC(F)F 34a_100103093639_100000731001 [0,2,0,0,0,0|2,0,0]=4 9134 B10R0.97 [13CH3]C(=O)CCCCC[N+](=O)[O-] 1458a_100000043470_200025704644 [0,2,0,0,0,0|1,0,1]=4 9135 B10R0.18 C=CC(=O)NC(C)CCCC 1626a_100000126638_100000185746 [0,2,0,0,0,0|2,0,0]=4 9136 B10R0.18 C=CC(=O)NC(C)CCCC 240690a_100000126638_200121576911 [0,2,0,0,0,0|2,0,0]=4 9137 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,2,0,0,0,0|1,0,1]=4 9138 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [0,2,0,0,0,0|1,0,1]=4 9139 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,2,0,0,0,0|0,0,1]=3 9140 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,2,0,0,0,0|0,0,1]=3 9141 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,2,0,0,0,0|2,0,0]=4 9142 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,2,0,0,0,0|2,0,0]=4 9143 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,2,0,0,0,0|2,0,0]=4 9144 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,2,0,0,0,0|2,0,0]=4 9145 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,2,0,0,0,0|1,0,0]=3 9146 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,2,0,0,0,0|1,0,0]=3 9147 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [0,2,0,0,0,0|2,0,0]=4 9148 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [0,2,0,0,0,0|2,0,0]=4 9149 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [0,2,0,0,0,0|2,0,0]=4 9150 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [0,2,0,0,0,0|2,0,0]=4 9151 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [0,2,0,0,0,0|2,0,0]=4 9152 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [0,2,0,0,0,0|2,0,0]=4 9153 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [0,2,0,0,0,0|2,0,0]=4 9154 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000189611_100000210211 [0,2,0,0,0,0|2,0,0]=4 9155 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000207549_100000183359 [0,2,0,0,0,0|2,0,0]=4 9156 B10R0.18 CCCCN(C)CC(=O)NC 269982a_100000207549_100000183359 [0,2,0,0,0,0|2,0,0]=4 9157 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [0,2,0,0,0,0|1,0,0]=3 9158 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [0,2,0,0,0,0|1,0,0]=3 9159 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [0,2,0,0,0,0|1,0,0]=3 9160 B10R0.18 CCCNC(=O)CC(=O)CO 1458a_100000210174_100000183358 [0,2,0,0,0,0|1,0,1]=4 9161 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [0,2,0,0,0,0|1,0,1]=4 9162 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [0,2,0,0,0,0|1,0,1]=4 9163 B10R0.18 CCCOC(C)CC(=O)OC 34a_100000210258_100009817358 [0,2,0,0,0,0|1,0,0]=3 9164 B10R0.18 CCCSC(C)CC(=O)OC 62a_100000210303_100009817358 [0,2,0,0,0,0|1,0,0]=3 9165 B10R0.18 CCCSC(C)CC(=O)OC 62a_100009817358_100000210303 [0,2,0,0,0,0|1,0,0]=3 9166 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,2,0,0,0,0|1,0,1]=4 9167 B10R0.18 CCOC[C@H](O)CC(=O)OC 34a_100121572206_100000754131 [0,2,0,0,0,0|1,0,0]=3 9168 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [0,2,0,0,0,0|1,0,1]=4 9169 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [0,2,0,0,0,0|1,0,1]=4 9170 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [0,2,0,0,0,0|1,0,1]=4 9171 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000210202_100000754131 [0,2,0,0,0,0|1,0,0]=3 9172 B10R0.18 CCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210202 [0,2,0,0,0,0|1,0,0]=3 9173 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [0,2,0,0,0,0|1,0,1]=4 9174 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [0,2,0,0,0,0|1,0,1]=4 9175 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [0,2,0,0,0,0|1,0,1]=4 9176 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [0,2,0,0,0,0|1,0,1]=4 9177 B10R0.18 COC(=O)CC(C)NCCF 34a_100000724931_100009817358 [0,2,0,0,0,0|2,0,0]=4 9178 B10R0.18 COC(=O)CC(C)NCCO 2230a_100016997473_100009817358 [0,2,0,0,0,0|2,0,0]=4 9179 B10R0.18 COC(=O)CC(C)NCCO 34a_100016990907_100009817358 [0,2,0,0,0,0|2,0,0]=4 9180 B10R0.18 COC(=O)CC(C)OCCBr 34a_100000211926_100009817358 [0,2,0,0,0,0|2,0,0]=4 9181 B10R0.18 COC(=O)CC(C)OCCN 34a_100000210304_100009817358 [0,2,0,0,0,0|2,0,0]=4 9182 B10R0.18 COC(=O)CC(C)SCCF 62a_100009817358_100011217306 [0,2,0,0,0,0|2,0,0]=4 9183 B10R0.18 COC(=O)CC(C)SCCF 62a_100011217306_100009817358 [0,2,0,0,0,0|2,0,0]=4 9184 B10R0.18 COC(=O)CC(C)SCCO 62a_100000211926_100009817358 [0,2,0,0,0,0|2,0,0]=4 9185 B10R0.18 COC(=O)CC(C)SCCO 62a_100009817358_100000211926 [0,2,0,0,0,0|2,0,0]=4 9186 B10R0.18 COC(=O)CC(C)SCSC 62a_100009817358_100011218213 [0,2,0,0,0,0|2,0,0]=4 9187 B10R0.18 COC(=O)CC(C)SCSC 62a_100011218213_100009817358 [0,2,0,0,0,0|2,0,0]=4 9188 B10R0.18 COC(=O)CN(C)CCCF 2230a_100000198492_100011934791 [0,2,0,0,0,0|2,0,0]=4 9189 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000198492_100000230001 [0,2,0,0,0,0|2,0,0]=4 9190 B10R0.18 COC(=O)CN(C)CCCO 2230a_100000213112_100000747449 [0,2,0,0,0,0|2,0,0]=4 9191 B10R0.18 COC(=O)CN(C)CCCO 269982a_100000213112_100000747449 [0,2,0,0,0,0|2,0,0]=4 9192 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000198492_100000751147 [0,2,0,0,0,0|2,0,0]=4 9193 B10R0.18 COC(=O)CN(C)CCSC 2230a_100000686725_100000747449 [0,2,0,0,0,0|2,0,0]=4 9194 B10R0.18 COC(=O)CN(C)CCSC 269982a_100000686725_100000747449 [0,2,0,0,0,0|2,0,0]=4 9195 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100000754131_100015361967 [0,2,0,0,0,0|2,0,0]=4 9196 B10R0.18 COC(=O)C[C@@H](O)CSCF 62a_100015361967_100000754131 [0,2,0,0,0,0|2,0,0]=4 9197 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [0,2,0,0,0,0|1,0,1]=4 9198 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [0,2,0,0,0,0|1,0,1]=4 9199 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000198492_100011201679 [0,2,0,0,0,0|2,0,0]=4 9200 B10R0.18 COCCN(C)CC(=O)OC 2230a_100000743101_100000747449 [0,2,0,0,0,0|2,0,0]=4 9201 B10R0.18 COCCN(C)CC(=O)OC 269982a_100000743101_100000747449 [0,2,0,0,0,0|2,0,0]=4 9202 B10R0.18 COCSC(C)CC(=O)OC 62a_100000766300_100009817358 [0,2,0,0,0,0|2,0,0]=4 9203 B10R0.18 COCSC(C)CC(=O)OC 62a_100009817358_100000766300 [0,2,0,0,0,0|2,0,0]=4 9204 B10R0.32 CC(CCO)N(C)CC(=O)O 269956a_100000746989_100009893172 [0,2,0,0,0,0|2,0,0]=4 9205 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100000210906_100000187820 [0,2,0,0,0,0|1,0,1]=4 9206 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100134613110_100000766640 [0,2,0,0,0,0|1,0,1]=4 9207 B10R0.32 CCCC(C)C(=O)CC(=O)[O-] 1458a_100000210906_100020667443 [0,2,0,0,0,0|0,0,2]=4 9208 B10R0.32 CCCC(C)N(C)CC(=O)N 2230a_100000739694_100000766640 [0,2,0,0,0,0|2,0,0]=4 9209 B10R0.32 CCCC(C)N(C)CC(=O)N 270004a_100000739694_100000211909 [0,2,0,0,0,0|2,0,0]=4 9210 B10R0.32 CCCC(C)N(C)CC(=O)O 269956a_100000746989_100000766640 [0,2,0,0,0,0|1,0,0]=3 9211 B10R0.32 CCC[C@H](O)C(=O)CC(=O)N 1458a_100009822183_100000187820 [0,2,0,0,0,0|1,0,1]=4 9212 B10R0.32 CCC[C@H](O)C(=O)CC(=O)[O-] 1458a_100009822183_100020667443 [0,2,0,0,0,0|0,0,2]=4 9213 B10R0.32 COCC(C)N(C)CC(=O)O 269956a_100000746989_100000765312 [0,2,0,0,0,0|2,0,0]=4 9214 B10R0.81 CC(C(=O)O)N(C)CCCF 269956a_100000749554_100011934791 [0,2,0,0,0,0|2,0,0]=4 9215 B10R0.81 CC(C(=O)O)N(C)CCCO 269956a_100000749554_100011215043 [0,2,0,0,0,0|2,0,0]=4 9216 B10R0.81 CCCCC(=O)C(C)C(=O)C 1458a_100000210183_100000179758 [0,2,0,0,0,0|1,0,1]=4 9217 B10R0.81 CCCCC(=O)C(C)C(=O)N 1458a_100000210183_100000702099 [0,2,0,0,0,0|1,0,1]=4 9218 B10R0.81 CCCCC(=O)C(F)C(=O)N 1458a_100000210183_100009813875 [0,2,0,0,0,0|1,0,1]=4 9219 B10R0.81 CCCCC(=O)C(F)C(=O)[O-] 1458a_100000210183_100020610796 [0,2,0,0,0,0|0,0,2]=4 9220 B10R0.81 CCCCN(C)C(C)C(=O)C 2230a_100000207549_100009814033 [0,2,0,0,0,0|2,0,0]=4 9221 B10R0.81 CCCCN(C)C(C)C(=O)C 269982a_100000207549_100009814033 [0,2,0,0,0,0|2,0,0]=4 9222 B10R0.81 CCCCN(C)C(C)C(=O)N 2230a_100000207549_100000702099 [0,2,0,0,0,0|2,0,0]=4 9223 B10R0.81 CCCCN(C)C(C)C(=O)N 269982a_100000207549_100000184083 [0,2,0,0,0,0|2,0,0]=4 9224 B10R0.81 CCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210211 [0,2,0,0,0,0|1,0,0]=3 9225 B10R0.81 CCCCN(C)C(F)C(=O)N 2230a_100000207549_100009813875 [0,2,0,0,0,0|2,0,0]=4 9226 B10R0.81 CCCCN(C)C(F)C(=O)N 269982a_100000207549_100009813875 [0,2,0,0,0,0|2,0,0]=4 9227 B10R0.81 CCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210303 [0,2,0,0,0,0|2,0,0]=4 9228 B10R0.81 CCOCN(C)C(C)C(=O)O 269956a_100000749554_100000739092 [0,2,0,0,0,0|2,0,0]=4 9229 B10R0.81 COCCN(C)C(C)C(=O)O 269956a_100000749554_100000233755 [0,2,0,0,0,0|2,0,0]=4 9230 B10R0.81 CSCCN(C)C(C)C(=O)O 269956a_100000749554_100000212216 [0,2,0,0,0,0|2,0,0]=4 9231 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,2,0,0,0,0|1,0,0]=3 9232 B10R0.87 CCCCN(CC)CC(=O)N 2230a_100000207695_100000747473 [0,2,0,0,0,0|2,0,0]=4 9233 B10R0.87 CCCCN(CC)CC(=O)N 269982a_100000207695_100000187820 [0,2,0,0,0,0|2,0,0]=4 9234 B10R0.87 CCCCN(CC)CC(=O)O 269956a_100000746405_100000210211 [0,2,0,0,0,0|1,0,0]=3 9235 B10R0.87 CCCCN(CC)CC(=O)[O-] 269982a_100000207695_100020667443 [0,2,0,0,0,0|1,0,1]=4 9236 B10R0.87 CCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210211 [0,2,0,0,0,0|1,0,1]=4 9237 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [0,2,0,0,0,0|2,0,0]=4 9238 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [0,2,0,0,0,0|2,0,0]=4 9239 B10R0.87 CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210207 [0,2,0,0,0,0|1,0,0]=3 9240 B10R0.87 CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210207 [0,2,0,0,0,0|1,0,0]=3 9241 B10R0.87 CCN(CCCF)CC(=O)O 269956a_100000746405_100011934791 [0,2,0,0,0,0|2,0,0]=4 9242 B10R0.87 CCN(CCCO)CC(=O)O 269956a_100000746405_100011215043 [0,2,0,0,0,0|2,0,0]=4 9243 B10R0.87 CCN(CCOC)CC(=O)O 269956a_100000746405_100000233755 [0,2,0,0,0,0|2,0,0]=4 9244 B10R0.87 CCN(CCSC)CC(=O)O 269956a_100000746405_100000212216 [0,2,0,0,0,0|2,0,0]=4 9245 B10R0.87 CCOCN(CC)CC(=O)O 269956a_100000746405_100000739092 [0,2,0,0,0,0|2,0,0]=4 9246 B10R0.87 CC[C@H](CC(=O)O)NCCF 269956a_100016995926_100011217306 [0,2,0,0,0,0|2,0,0]=4 9247 B10R0.87 CC[C@H](CC(=O)O)NCCO 269956a_100016995926_100000211926 [0,2,0,0,0,0|2,0,0]=4 9248 B10R0.87 CC[C@H](CC(=O)O)NCOC 269956a_100016995926_100000766300 [0,2,0,0,0,0|2,0,0]=4 9249 B10R0.87 CC[C@H](CC(=O)O)NCSC 269956a_100016995926_100011218213 [0,2,0,0,0,0|2,0,0]=4 9250 B10R0.87 COCN[C@H](CO)CC(=O)O 269956a_100009816507_100000766300 [0,2,0,0,0,0|2,0,0]=4 9251 B10R0.87 CSCN[C@H](CO)CC(=O)O 269956a_100009816507_100011218213 [0,2,0,0,0,0|2,0,0]=4 9252 B10R0.87 O=C(O)C[C@@H](CO)NCCF 269956a_100009816507_100011217306 [0,2,0,0,0,0|2,0,0]=4 9253 B10R0.87 O=C(O)C[C@@H](CO)NCCO 269956a_100009816507_100000211926 [0,2,0,0,0,0|2,0,0]=4 9254 B10R0.96 C=C(C)CCN(C)CC(=O)O 269956a_100000746989_100000730704 [0,2,0,0,0,0|1,0,1]=4 9255 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,2,0,0,0,0|1,0,1]=4 9256 B10R0.96 CC(=O)CCN(C)CC(C)C 269982a_100000747067_100000053229 [0,2,0,0,0,0|2,0,0]=4 9257 B10R0.96 CC(=O)CCN(C)CC(C)O 269982a_100000227577_100000053229 [0,2,0,0,0,0|2,0,0]=4 9258 B10R0.96 CC(=O)COC(C)CC(C)C 34a_100000211253_100000731052 [0,2,0,0,0,0|2,0,0]=4 9259 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,2,0,0,0,0|2,0,0]=4 9260 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,2,0,0,0,0|2,0,0]=4 9261 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,2,0,0,0,0|2,0,0]=4 9262 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,2,0,0,0,0|2,0,0]=4 9263 B10R0.96 CC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000210624 [0,2,0,0,0,0|1,0,1]=4 9264 B10R0.96 CC(C)CC(C)NCC(=O)N 2230a_100000692259_100000747473 [0,2,0,0,0,0|2,0,0]=4 9265 B10R0.96 CC(C)CC(C)NCC(=O)N 2230a_100000711301_100000731052 [0,2,0,0,0,0|2,0,0]=4 9266 B10R0.96 CC(C)CC(C)NCC(=O)O 269956a_100016091260_100000731052 [0,2,0,0,0,0|1,0,0]=3 9267 B10R0.96 CC(C)CC(C)OCC(=O)N 34a_100000211805_100000187820 [0,2,0,0,0,0|2,0,0]=4 9268 B10R0.96 CC(C)CC(C)OCC(=O)N 7a_100000211805_100000187820 [0,2,0,0,0,0|2,0,0]=4 9269 B10R0.96 CC(C)CC(C)OCC(=O)[O-] 34a_100000211805_100020667443 [0,2,0,0,0,0|1,0,1]=4 9270 B10R0.96 CC(C)CC(C)SCC(=O)N 62a_100000731052_100000747473 [0,2,0,0,0,0|2,0,0]=4 9271 B10R0.96 CC(C)CC(C)SCC(=O)N 62a_100000747473_100000731052 [0,2,0,0,0,0|2,0,0]=4 9272 B10R0.96 CC(C)CC(C)SCC(=O)[O-] 62a_100000731052_100020667443 [0,2,0,0,0,0|1,0,1]=4 9273 B10R0.96 CC(C)CC(C)SCC(=O)[O-] 62a_100020667443_100000731052 [0,2,0,0,0,0|1,0,1]=4 9274 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100000181311_100000187820 [0,2,0,0,0,0|1,0,1]=4 9275 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100134613110_100000210312 [0,2,0,0,0,0|1,0,1]=4 9276 B10R0.96 CC(C)CCC(=O)CC(=O)[O-] 1458a_100000181311_100020667443 [0,2,0,0,0,0|0,0,2]=4 9277 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000739694_100000210312 [0,2,0,0,0,0|2,0,0]=4 9278 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000742789_100000747473 [0,2,0,0,0,0|2,0,0]=4 9279 B10R0.96 CC(C)CCN(C)CC(=O)N 269982a_100000742789_100000187820 [0,2,0,0,0,0|2,0,0]=4 9280 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,2,0,0,0,0|1,0,0]=3 9281 B10R0.96 CC(C)CCN(C)CC(=O)[O-] 269982a_100000742789_100020667443 [0,2,0,0,0,0|1,0,1]=4 9282 B10R0.96 CC(C)CN(C)CCC(=O)N 2230a_100000730477_100000210760 [0,2,0,0,0,0|2,0,0]=4 9283 B10R0.96 CC(C)CN(C)CCC(=O)N 2230a_100000747067_100000744528 [0,2,0,0,0,0|2,0,0]=4 9284 B10R0.96 CC(C)CN(C)CCC(=O)N 269982a_100000747067_100000744528 [0,2,0,0,0,0|2,0,0]=4 9285 B10R0.96 CC(C)CN(C)CCC(=O)N 270004a_100000730477_100000210432 [0,2,0,0,0,0|2,0,0]=4 9286 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [0,2,0,0,0,0|1,0,0]=3 9287 B10R0.96 CC(C)OCN(C)CC(=O)O 269956a_100000746989_100000709892 [0,2,0,0,0,0|2,0,0]=4 9288 B10R0.96 CC(CN(C)C)NCC(=O)O 269956a_100016091260_100020606517 [0,2,0,0,0,0|2,0,0]=4 9289 B10R0.96 CC(O)CC(=O)CCC(=O)N 1458a_100011215257_100011218427 [0,2,0,0,0,0|1,0,1]=4 9290 B10R0.96 CC(O)CCC(=O)CC(=O)N 1458a_100134613110_100012276601 [0,2,0,0,0,0|1,0,1]=4 9291 B10R0.96 CC(O)CCN(C)CC(=O)N 2230a_100000739694_100012276601 [0,2,0,0,0,0|2,0,0]=4 9292 B10R0.96 CC(O)CCN(C)CC(=O)O 269956a_100000746989_100012276601 [0,2,0,0,0,0|1,0,0]=3 9293 B10R0.96 CC(O)CN(C)CCC(=O)N 2230a_100000227577_100000744528 [0,2,0,0,0,0|2,0,0]=4 9294 B10R0.96 CC(O)CN(C)CCC(=O)N 2230a_100000730477_100011218427 [0,2,0,0,0,0|2,0,0]=4 9295 B10R0.96 CC(O)CN(C)CCC(=O)N 269982a_100000227577_100000744528 [0,2,0,0,0,0|2,0,0]=4 9296 B10R0.96 CN(C)CCN(C)CC(=O)O 269956a_100000746989_100000755713 [0,2,0,0,0,0|2,0,0]=4 9297 B10R0.96 C[C@@H](O)CN(C)CCC(=O)N 2230a_100000730477_100009817552 [0,2,0,0,0,0|2,0,0]=4 9298 B10R0.122 CC(C)(CC(=O)O)NCCF 269956a_100000755897_100011217306 [0,2,0,0,0,0|2,0,0]=4 9299 B10R0.122 CC(C)(CC(=O)O)NCCO 269956a_100000755897_100000211926 [0,2,0,0,0,0|2,0,0]=4 9300 B10R0.122 CCCC[Si](C)(C)CC(=O)C 1458a_100000070787_200000073895 [0,2,0,0,0,0|1,1,0]=4 9301 B10R0.122 CCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210303 [0,2,0,0,0,0|2,0,0]=4 9302 B10R0.122 CCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210207 [0,2,0,0,0,0|1,0,0]=3 9303 B10R0.122 CCCOC(C)(C)CC(=O)C 7a_100000210262_100000210303 [0,2,0,0,0,0|2,0,0]=4 9304 B10R0.122 COCNC(C)(C)CC(=O)O 269956a_100000755897_100000766300 [0,2,0,0,0,0|2,0,0]=4 9305 B10R0.122 CSCNC(C)(C)CC(=O)O 269956a_100000755897_100011218213 [0,2,0,0,0,0|2,0,0]=4 9306 B10R0.15 CC(=O)CCCCC(F)(F)F 1458a_100000070787_100000692467 [0,2,0,0,0,0|2,0,0]=4 9307 B10R0.15 CC(=O)CCCOC(C)(C)C 34a_100000759063_100000210625 [0,2,0,0,0,0|2,0,0]=4 9308 B10R0.15 CC(=O)CCCOC(C)(C)C 34a_100015890283_100000685027 [0,2,0,0,0,0|2,0,0]=4 9309 B10R0.15 CC(=O)CCCOC(C)(C)C 7a_100015890283_100011215641 [0,2,0,0,0,0|2,0,0]=4 9310 B10R0.15 CC(=O)CCCSC(C)(C)C 62a_100000211941_100011215641 [0,2,0,0,0,0|2,0,0]=4 9311 B10R0.15 CC(=O)CCCSC(C)(C)C 62a_100011215641_100000211941 [0,2,0,0,0,0|2,0,0]=4 9312 B10R0.15 CC(=O)CCOCC(C)(C)C 34a_100000759926_100011219605 [0,2,0,0,0,0|2,0,0]=4 9313 B10R0.15 CC(=O)CCOCC(C)(C)F 34a_100000759926_100011997219 [0,2,0,0,0,0|2,0,0]=4 9314 B10R0.15 CC(=O)CCOCC(C)(C)O 34a_100000759926_100000764493 [0,2,0,0,0,0|2,0,0]=4 9315 B10R0.15 CC(=O)CCOCC(C)(C)O 7a_100000759926_100000764493 [0,2,0,0,0,0|2,0,0]=4 9316 B10R0.15 CC(=O)CCSCC(C)(C)C 62a_100000053229_100011219605 [0,2,0,0,0,0|2,0,0]=4 9317 B10R0.15 CC(=O)CCSCC(C)(C)C 62a_100011219605_100000053229 [0,2,0,0,0,0|2,0,0]=4 9318 B10R0.15 CC(=O)CCSCC(C)(C)F 62a_100000053229_100011997219 [0,2,0,0,0,0|2,0,0]=4 9319 B10R0.15 CC(=O)CCSCC(C)(C)F 62a_100011997219_100000053229 [0,2,0,0,0,0|2,0,0]=4 9320 B10R0.15 CC(=O)CCSCC(C)(C)O 62a_100000053229_100000764493 [0,2,0,0,0,0|2,0,0]=4 9321 B10R0.15 CC(=O)CCSCC(C)(C)O 62a_100000764493_100000053229 [0,2,0,0,0,0|2,0,0]=4 9322 B10R0.15 CC(=O)COCCC(C)(C)C 34a_100000211253_100000755188 [0,2,0,0,0,0|2,0,0]=4 9323 B10R0.15 CC(=O)COCCC(C)(C)O 34a_100000211253_100000702414 [0,2,0,0,0,0|2,0,0]=4 9324 B10R0.15 CC(C)(C)CCNCC(=O)N 2230a_100000711301_100000755188 [0,2,0,0,0,0|2,0,0]=4 9325 B10R0.15 CC(C)(C)CCNCC(=O)N 2230a_100000738805_100000747473 [0,2,0,0,0,0|2,0,0]=4 9326 B10R0.15 CC(C)(C)CCNCC(=O)O 269956a_100016091260_100000755188 [0,2,0,0,0,0|1,0,0]=3 9327 B10R0.15 CC(C)(C)CCOCC(=O)N 7a_100000765024_100000187820 [0,2,0,0,0,0|2,0,0]=4 9328 B10R0.15 CC(C)(C)CCSCC(=O)N 62a_100000747473_100000755188 [0,2,0,0,0,0|2,0,0]=4 9329 B10R0.15 CC(C)(C)CCSCC(=O)N 62a_100000755188_100000747473 [0,2,0,0,0,0|2,0,0]=4 9330 B10R0.15 CC(C)(C)CCSCC(=O)[O-] 62a_100000755188_100020667443 [0,2,0,0,0,0|1,0,1]=4 9331 B10R0.15 CC(C)(C)CCSCC(=O)[O-] 62a_100020667443_100000755188 [0,2,0,0,0,0|1,0,1]=4 9332 B10R0.15 CC(C)(C)CNCCC(=O)N 2230a_100000743828_100000744528 [0,2,0,0,0,0|2,0,0]=4 9333 B10R0.15 CC(C)(C)CNOCC(=O)O 269956a_100000106656_100011219605 [0,2,0,0,0,0|2,0,0]=4 9334 B10R0.15 CC(C)(C)COCCC(=O)N 34a_100000757172_100011219605 [0,2,0,0,0,0|2,0,0]=4 9335 B10R0.15 CC(C)(C)CSCCC(=O)N 62a_100000744528_100011219605 [0,2,0,0,0,0|2,0,0]=4 9336 B10R0.15 CC(C)(C)CSCCC(=O)N 62a_100011219605_100000744528 [0,2,0,0,0,0|2,0,0]=4 9337 B10R0.15 CC(C)(C)NCCCC(=O)N 34a_100000739312_100000210625 [0,2,0,0,0,0|2,0,0]=4 9338 B10R0.15 CC(C)(C)OCCCC(=O)N 34a_100015890283_100102525003 [0,2,0,0,0,0|2,0,0]=4 9339 B10R0.15 CC(C)(C)OCCCC(=O)N 7a_100015890283_100102525003 [0,2,0,0,0,0|2,0,0]=4 9340 B10R0.15 CC(C)(C)SCCCC(=O)N 62a_100000211941_100102525003 [0,2,0,0,0,0|2,0,0]=4 9341 B10R0.15 CC(C)(C)SCCCC(=O)N 62a_100102525003_100000211941 [0,2,0,0,0,0|2,0,0]=4 9342 B10R0.15 CC(C)(F)CCNCC(=O)N 2230a_100016253952_100000747473 [0,2,0,0,0,0|2,0,0]=4 9343 B10R0.15 CC(C)(F)CNCCC(=O)N 2230a_100020643315_100000744528 [0,2,0,0,0,0|2,0,0]=4 9344 B10R0.15 CC(C)(F)CNOCC(=O)O 269956a_100000106656_100011997219 [0,2,0,0,0,0|2,0,0]=4 9345 B10R0.15 CC(C)(F)COCCC(=O)N 34a_100000716592_100000731001 [0,2,0,0,0,0|2,0,0]=4 9346 B10R0.15 CC(C)(F)COCCC(=O)N 34a_100000757172_100011997219 [0,2,0,0,0,0|2,0,0]=4 9347 B10R0.15 CC(C)(F)CSCCC(=O)N 62a_100000744528_100011997219 [0,2,0,0,0,0|2,0,0]=4 9348 B10R0.15 CC(C)(F)CSCCC(=O)N 62a_100011997219_100000744528 [0,2,0,0,0,0|2,0,0]=4 9349 B10R0.15 CC(C)(O)CCNCC(=O)N 2230a_100000711301_100000702414 [0,2,0,0,0,0|2,0,0]=4 9350 B10R0.15 CC(C)(O)CCNCC(=O)O 269956a_100016091260_100000702414 [0,2,0,0,0,0|1,0,0]=3 9351 B10R0.15 CC(C)(O)CCSCC(=O)N 62a_100000702414_100000747473 [0,2,0,0,0,0|2,0,0]=4 9352 B10R0.15 CC(C)(O)CCSCC(=O)N 62a_100000747473_100000702414 [0,2,0,0,0,0|2,0,0]=4 9353 B10R0.15 CC(C)(O)CCSCC(=O)[O-] 62a_100000702414_100020667443 [0,2,0,0,0,0|1,0,1]=4 9354 B10R0.15 CC(C)(O)CCSCC(=O)[O-] 62a_100020667443_100000702414 [0,2,0,0,0,0|1,0,1]=4 9355 B10R0.15 CC(C)(O)CNCCC(=O)N 2230a_100000751335_100000744528 [0,2,0,0,0,0|2,0,0]=4 9356 B10R0.15 CC(C)(O)CNOCC(=O)O 269956a_100000106656_100000764493 [0,2,0,0,0,0|2,0,0]=4 9357 B10R0.15 CC(C)(O)COCCC(=O)N 34a_100000757172_100000764493 [0,2,0,0,0,0|2,0,0]=4 9358 B10R0.15 CC(C)(O)COCCC(=O)N 7a_100000757172_100000764493 [0,2,0,0,0,0|2,0,0]=4 9359 B10R0.15 CC(C)(O)CSCCC(=O)N 62a_100000744528_100000764493 [0,2,0,0,0,0|2,0,0]=4 9360 B10R0.15 CC(C)(O)CSCCC(=O)N 62a_100000764493_100000744528 [0,2,0,0,0,0|2,0,0]=4 9361 B10R0.15 CC(F)(F)COCCC(=O)N 34a_100000068830_100000731001 [0,2,0,0,0,0|2,0,0]=4 9362 B10R0.15 CS(=O)(=O)CCNCC(=O)O 269956a_100016091260_100000731031 [0,2,0,0,0,0|2,0,0]=4 9363 B10R0.15 C[N+](C)(C)CCNCC(=O)O 269956a_100016091260_100000085578 [0,2,0,0,0,0|2,0,0]=4 9364 B10R0.15 C[Si](C)(C)CCNCC(=O)O 269956a_100016091260_200000733723 [0,2,0,0,0,0|1,1,0]=4 9365 B10R0.15 O=C(O)CNCCC(F)(F)F 269956a_100016091260_100011219754 [0,2,0,0,0,0|2,0,0]=4 9366 B10R0.62 CCCCCCC(C)(C)OC 7a_200011995690_200000210301 [0,2,0,0,0,0|1,0,1]=4 9367 B10R0.62 CCCCCCC(C)(C)O[13CH3] 7a_200011995690_200025704644 [0,2,0,0,0,0|1,0,1]=4 9368 B10R0.62 CCCCCCS(=O)(=O)NC 270084a_100102657272_100011361803 [0,2,0,0,0,0|1,0,1]=4 9369 B10R0.62 CCCCCCS(=O)(=O)NC 274078a_100102657272_100011361803 [0,2,0,0,0,0|1,0,1]=4 9370 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,2,0,0,0,0|1,0,0]=3 9371 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,2,0,0,0,0|1,0,0]=3 9372 B10R0.1 C#CCC(=O)CCCCCF 1458a_100011220946_100000729378 [0,2,0,0,0,0|2,0,0]=4 9373 B10R0.1 C#CCC(=O)CCCCCO 1458a_100011220946_100000746330 [0,2,0,0,0,0|2,0,0]=4 9374 B10R0.1 C#CCC(=O)CCCCCO 1458a_100102619762_100000184674 [0,2,0,0,0,0|2,0,0]=4 9375 B10R0.1 C#CCC(=O)CCCCOC 1458a_100011220946_100000755781 [0,2,0,0,0,0|2,0,0]=4 9376 B10R0.1 C#CCC(=O)CCCOCC 1458a_100011220946_100012232248 [0,2,0,0,0,0|2,0,0]=4 9377 B10R0.1 C#CCC(=O)CCOCCC 1458a_100011220946_100011215938 [0,2,0,0,0,0|2,0,0]=4 9378 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [0,2,0,0,0,0|2,0,0]=4 9379 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [0,2,0,0,0,0|2,0,0]=4 9380 B10R0.1 C#CCC(=O)CSCCCC 1458a_100000191162_100000184674 [0,2,0,0,0,0|2,0,0]=4 9381 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [0,2,0,0,0,0|2,0,0]=4 9382 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [0,2,0,0,0,0|2,0,0]=4 9383 B10R0.1 C#CCCCCC(=O)CCO 1458a_100000696528_100000211926 [0,2,0,0,0,0|0,0,2]=4 9384 B10R0.1 C#CCCCCC(=O)CCO 1458a_100011216618_100010269958 [0,2,0,0,0,0|0,0,2]=4 9385 B10R0.1 C#CCCCCC(=O)COC 1458a_100000210968_100010269958 [0,2,0,0,0,0|0,0,2]=4 9386 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,2,0,0,0,0|1,0,0]=3 9387 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,2,0,0,0,0|1,0,0]=3 9388 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [0,2,0,0,0,0|2,0,0]=4 9389 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,2,0,0,0,0|2,0,0]=4 9390 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,2,0,0,0,0|2,0,0]=4 9391 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [0,2,0,0,0,0|2,0,0]=4 9392 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [0,2,0,0,0,0|2,0,0]=4 9393 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [0,2,0,0,0,0|2,0,0]=4 9394 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,2,0,0,0,0|2,0,0]=4 9395 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,2,0,0,0,0|2,0,0]=4 9396 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [0,2,0,0,0,0|2,0,0]=4 9397 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,2,0,0,0,0|2,0,0]=4 9398 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,2,0,0,0,0|2,0,0]=4 9399 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,2,0,0,0,0|2,0,0]=4 9400 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,2,0,0,0,0|2,0,0]=4 9401 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,2,0,0,0,0|0,0,2]=4 9402 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,2,0,0,0,0|0,0,2]=4 9403 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,2,0,0,0,0|0,0,2]=4 9404 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [0,2,0,0,0,0|1,0,0]=3 9405 B10R0.1 C=COC(=O)CNCCCF 2230a_100015189416_100000036128 [0,2,0,0,0,0|2,0,0]=4 9406 B10R0.1 C=COC(=O)CNCCCF 34a_100015189416_100000036128 [0,2,0,0,0,0|2,0,0]=4 9407 B10R0.1 C=COC(=O)CNCCOC 2230a_100000209980_100000036128 [0,2,0,0,0,0|2,0,0]=4 9408 B10R0.1 C=COC(=O)CNCCSC 2230a_100020590264_100000036128 [0,2,0,0,0,0|2,0,0]=4 9409 B10R0.1 C=COC(=O)COCCCBr 34a_100011217188_100000036128 [0,2,0,0,0,0|2,0,0]=4 9410 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [0,2,0,0,0,0|1,0,0]=3 9411 B10R0.1 C=COC(=O)COCCCCl 34a_100000230001_100000036128 [0,2,0,0,0,0|2,0,0]=4 9412 B10R0.1 C=COC(=O)COCCCF 34a_100000759539_100000036128 [0,2,0,0,0,0|2,0,0]=4 9413 B10R0.1 C=COC(=O)COCCCN 34a_100000182051_100000036128 [0,2,0,0,0,0|2,0,0]=4 9414 B10R0.1 C=COC(=O)COCCOC 34a_100000210237_100000036128 [0,2,0,0,0,0|2,0,0]=4 9415 B10R0.1 C=COC(=O)COCCSC 34a_100000230434_100000036128 [0,2,0,0,0,0|2,0,0]=4 9416 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [0,2,0,0,0,0|1,0,0]=3 9417 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [0,2,0,0,0,0|1,0,0]=3 9418 B10R0.1 C=COC(=O)CSCCCF 62a_100000036128_100011934791 [0,2,0,0,0,0|2,0,0]=4 9419 B10R0.1 C=COC(=O)CSCCCF 62a_100011934791_100000036128 [0,2,0,0,0,0|2,0,0]=4 9420 B10R0.1 C=COC(=O)CSCCCO 62a_100000036128_100011215043 [0,2,0,0,0,0|2,0,0]=4 9421 B10R0.1 C=COC(=O)CSCCCO 62a_100011215043_100000036128 [0,2,0,0,0,0|2,0,0]=4 9422 B10R0.1 C=COC(=O)CSCCOC 62a_100000036128_100000233755 [0,2,0,0,0,0|2,0,0]=4 9423 B10R0.1 C=COC(=O)CSCCOC 62a_100000233755_100000036128 [0,2,0,0,0,0|2,0,0]=4 9424 B10R0.1 C=COC(=O)CSCCSC 62a_100000036128_100000751147 [0,2,0,0,0,0|2,0,0]=4 9425 B10R0.1 C=COC(=O)CSCCSC 62a_100000212216_100000036128 [0,2,0,0,0,0|2,0,0]=4 9426 B10R0.1 C=COC(=O)CSCOCC 62a_100000036128_100000739092 [0,2,0,0,0,0|2,0,0]=4 9427 B10R0.1 C=COC(=O)CSCOCC 62a_100000739092_100000036128 [0,2,0,0,0,0|2,0,0]=4 9428 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,2,0,0,0,0|1,0,0]=3 9429 B10R0.1 CC#CC(=O)CCCCCF 1458a_100000763181_100000729378 [0,2,0,0,0,0|2,0,0]=4 9430 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [0,2,0,0,0,0|2,0,0]=4 9431 B10R0.1 CC#CC(=O)CCCCOC 1458a_100000763181_100000755781 [0,2,0,0,0,0|2,0,0]=4 9432 B10R0.1 CC#CC(=O)CCCOCC 1458a_100000763181_100012232248 [0,2,0,0,0,0|2,0,0]=4 9433 B10R0.1 CC#CC(=O)CCOCCC 1458a_100000763181_100011215938 [0,2,0,0,0,0|2,0,0]=4 9434 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [0,2,0,0,0,0|2,0,0]=4 9435 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,2,0,0,0,0|0,0,2]=4 9436 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,2,0,0,0,0|0,0,2]=4 9437 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,2,0,0,0,0|1,0,0]=3 9438 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,2,0,0,0,0|2,0,0]=4 9439 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,2,0,0,0,0|2,0,0]=4 9440 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,2,0,0,0,0|2,0,0]=4 9441 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [0,2,0,0,0,0|2,0,0]=4 9442 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [0,2,0,0,0,0|2,0,0]=4 9443 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,2,0,0,0,0|2,0,0]=4 9444 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,2,0,0,0,0|2,0,0]=4 9445 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,2,0,0,0,0|2,0,0]=4 9446 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,2,0,0,0,0|2,0,0]=4 9447 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,2,0,0,0,0|0,0,2]=4 9448 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,2,0,0,0,0|2,0,0]=4 9449 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,2,0,0,0,0|2,0,0]=4 9450 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,2,0,0,0,0|2,0,0]=4 9451 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,2,0,0,0,0|2,0,0]=4 9452 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,2,0,0,0,0|2,0,0]=4 9453 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,2,0,0,0,0|0,0,2]=4 9454 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,2,0,0,0,0|1,0,0]=3 9455 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,2,0,0,0,0|1,0,0]=3 9456 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,2,0,0,0,0|1,0,0]=3 9457 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,2,0,0,0,0|1,0,0]=3 9458 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,2,0,0,0,0|1,0,0]=3 9459 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,2,0,0,0,0|1,0,0]=3 9460 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,2,0,0,0,0|1,0,0]=3 9461 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,2,0,0,0,0|1,0,0]=3 9462 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,2,0,0,0,0|0,0,0]=2 9463 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,2,0,0,0,0|0,0,0]=2 9464 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,2,0,0,0,0|0,0,0]=2 9465 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,2,0,0,0,0|0,1,0]=3 9466 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,2,0,0,0,0|1,0,0]=3 9467 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,2,0,0,0,0|1,0,0]=3 9468 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,2,0,0,0,0|1,0,0]=3 9469 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,2,0,0,0,0|1,0,0]=3 9470 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,2,0,0,0,0|1,0,1]=4 9471 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,2,0,0,0,0|1,0,1]=4 9472 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,2,0,0,0,0|1,0,1]=4 9473 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,2,0,0,0,0|1,0,1]=4 9474 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,2,0,0,0,0|1,0,1]=4 9475 B10R0.1 CCCCCCN(C)CC=O 2230a_106256046315_200015260668 [0,2,0,0,0,0|2,0,0]=4 9476 B10R0.1 CCCCCCN(C)CC=O 269982a_106256046315_200015260668 [0,2,0,0,0,0|2,0,0]=4 9477 B10R0.1 CCCCCCN(C)CCO 2230a_100000210263_100000210314 [0,2,0,0,0,0|2,0,0]=4 9478 B10R0.1 CCCCCCN(C)CCO 2230a_106256046315_100000211926 [0,2,0,0,0,0|2,0,0]=4 9479 B10R0.1 CCCCCCN(C)CCO 269982a_100000210263_100000210757 [0,2,0,0,0,0|2,0,0]=4 9480 B10R0.1 CCCCCCN(C)CCO 269982a_106256046315_100000211926 [0,2,0,0,0,0|2,0,0]=4 9481 B10R0.1 CCCCCCN(C)COC 2230a_106256046315_100000766300 [0,2,0,0,0,0|2,0,0]=4 9482 B10R0.1 CCCCCCN(C)COC 269982a_106256046315_100000766300 [0,2,0,0,0,0|2,0,0]=4 9483 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [0,2,0,0,0,0|2,0,0]=4 9484 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [0,2,0,0,0,0|2,0,0]=4 9485 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [0,2,0,0,0,0|2,0,0]=4 9486 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [0,2,0,0,0,0|2,0,0]=4 9487 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [0,2,0,0,0,0|2,0,0]=4 9488 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [0,2,0,0,0,0|2,0,0]=4 9489 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [0,2,0,0,0,0|2,0,0]=4 9490 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [0,2,0,0,0,0|2,0,0]=4 9491 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,2,0,0,0,0|2,0,0]=4 9492 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,2,0,0,0,0|2,0,0]=4 9493 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,2,0,0,0,0|2,0,0]=4 9494 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,2,0,0,0,0|2,0,0]=4 9495 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,2,0,0,0,0|1,0,0]=3 9496 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,2,0,0,0,0|2,0,0]=4 9497 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,2,0,0,0,0|2,0,0]=4 9498 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,2,0,0,0,0|2,0,0]=4 9499 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,2,0,0,0,0|1,0,0]=3 9500 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,2,0,0,0,0|1,0,0]=3 9501 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,2,0,0,0,0|1,0,0]=3 9502 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,2,0,0,0,0|1,0,0]=3 9503 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,2,0,0,0,0|1,0,0]=3 9504 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,2,0,0,0,0|1,1,0]=4 9505 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,2,0,0,0,0|1,1,0]=4 9506 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,2,0,0,0,0|1,1,0]=4 9507 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,2,0,0,0,0|1,1,0]=4 9508 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,2,0,0,0,0|1,1,0]=4 9509 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,2,0,0,0,0|1,1,0]=4 9510 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,2,0,0,0,0|1,1,0]=4 9511 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,2,0,0,0,0|1,1,0]=4 9512 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 9513 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 9514 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 9515 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 9516 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,2,0,0,0,0|2,0,0]=4 9517 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,2,0,0,0,0|2,0,0]=4 9518 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [0,2,0,0,0,0|2,0,0]=4 9519 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [0,2,0,0,0,0|2,0,0]=4 9520 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [0,2,0,0,0,0|2,0,0]=4 9521 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,2,0,0,0,0|2,0,0]=4 9522 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,2,0,0,0,0|2,0,0]=4 9523 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,2,0,0,0,0|2,0,0]=4 9524 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,2,0,0,0,0|2,0,0]=4 9525 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,2,0,0,0,0|2,0,0]=4 9526 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,2,0,0,0,0|1,0,0]=3 9527 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,2,0,0,0,0|1,0,0]=3 9528 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,2,0,0,0,0|1,0,0]=3 9529 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,2,0,0,0,0|1,0,0]=3 9530 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,2,0,0,0,0|2,0,0]=4 9531 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,2,0,0,0,0|2,0,0]=4 9532 B10R0.1 CCCCOCC(=O)C=CBr 1458a_100016273825_100011995733 [0,2,0,0,0,0|2,0,0]=4 9533 B10R0.1 CCCCOCC(=O)C=CCl 1458a_200016279998_100011995733 [0,2,0,0,0,0|2,0,0]=4 9534 B10R0.1 CCCCOCC(=O)C=CI 1458a_100016256311_100011995733 [0,2,0,0,0,0|2,0,0]=4 9535 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [0,2,0,0,0,0|2,0,0]=4 9536 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [0,2,0,0,0,0|2,0,0]=4 9537 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,2,0,0,0,0|2,0,0]=4 9538 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,2,0,0,0,0|2,0,0]=4 9539 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,2,0,0,0,0|2,0,0]=4 9540 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,2,0,0,0,0|2,0,0]=4 9541 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,2,0,0,0,0|1,0,0]=3 9542 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,2,0,0,0,0|1,0,0]=3 9543 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,2,0,0,0,0|1,0,0]=3 9544 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,2,0,0,0,0|1,1,0]=4 9545 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,2,0,0,0,0|2,0,0]=4 9546 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,2,0,0,0,0|2,0,0]=4 9547 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,2,0,0,0,0|2,0,0]=4 9548 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,2,0,0,0,0|2,0,0]=4 9549 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,2,0,0,0,0|2,0,0]=4 9550 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,2,0,0,0,0|1,0,0]=3 9551 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,2,0,0,0,0|1,0,0]=3 9552 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [0,2,0,0,0,0|2,0,0]=4 9553 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,2,0,0,0,0|1,0,0]=3 9554 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,2,0,0,0,0|1,0,0]=3 9555 B10R0.1 CCCCSCC(=O)CC#N 1458a_100000191162_100011214920 [0,2,0,0,0,0|2,0,0]=4 9556 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,2,0,0,0,0|2,0,0]=4 9557 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,2,0,0,0,0|2,0,0]=4 9558 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,2,0,0,0,0|2,0,0]=4 9559 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,2,0,0,0,0|2,0,0]=4 9560 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,2,0,0,0,0|1,0,0]=3 9561 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,2,0,0,0,0|2,0,0]=4 9562 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,2,0,0,0,0|2,0,0]=4 9563 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,2,0,0,0,0|2,0,0]=4 9564 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,2,0,0,0,0|2,0,0]=4 9565 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,2,0,0,0,0|2,0,0]=4 9566 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,2,0,0,0,0|1,0,0]=3 9567 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,2,0,0,0,0|1,0,0]=3 9568 B10R0.1 CCCCSCC(=O)NNC 22a_100016993582_100000191162 [0,2,0,0,0,0|2,0,0]=4 9569 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,2,0,0,0,0|1,0,0]=3 9570 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,2,0,0,0,0|1,0,0]=3 9571 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,2,0,0,0,0|2,0,0]=4 9572 B10R0.1 CCCOCCC(=O)C=CBr 1458a_100016273825_100011215938 [0,2,0,0,0,0|2,0,0]=4 9573 B10R0.1 CCCOCCC(=O)C=CCl 1458a_200016279998_100011215938 [0,2,0,0,0,0|2,0,0]=4 9574 B10R0.1 CCCOCCC(=O)C=CI 1458a_100016256311_100011215938 [0,2,0,0,0,0|2,0,0]=4 9575 B10R0.1 CCCOCCC(=O)CC#N 1458a_100051588842_100011215938 [0,2,0,0,0,0|2,0,0]=4 9576 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,2,0,0,0,0|2,0,0]=4 9577 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,2,0,0,0,0|1,0,0]=3 9578 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,2,0,0,0,0|1,0,0]=3 9579 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [0,2,0,0,0,0|1,1,0]=4 9580 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,2,0,0,0,0|1,0,0]=3 9581 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,2,0,0,0,0|2,0,0]=4 9582 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,2,0,0,0,0|2,0,0]=4 9583 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,2,0,0,0,0|1,0,0]=3 9584 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,2,0,0,0,0|1,0,0]=3 9585 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,2,0,0,0,0|2,0,0]=4 9586 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,2,0,0,0,0|2,0,0]=4 9587 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,2,0,0,0,0|1,0,0]=3 9588 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,2,0,0,0,0|1,0,0]=3 9589 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,2,0,0,0,0|1,0,0]=3 9590 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,2,0,0,0,0|1,0,0]=3 9591 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,2,0,0,0,0|1,0,0]=3 9592 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,2,0,0,0,0|1,0,0]=3 9593 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,2,0,0,0,0|1,0,0]=3 9594 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,2,0,0,0,0|1,0,0]=3 9595 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,2,0,0,0,0|1,0,0]=3 9596 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,2,0,0,0,0|2,0,0]=4 9597 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,2,0,0,0,0|1,0,0]=3 9598 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,2,0,0,0,0|1,0,0]=3 9599 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,2,0,0,0,0|2,0,0]=4 9600 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,2,0,0,0,0|2,0,0]=4 9601 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,2,0,0,0,0|2,0,0]=4 9602 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,2,0,0,0,0|2,0,0]=4 9603 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,2,0,0,0,0|2,0,0]=4 9604 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,2,0,0,0,0|2,0,0]=4 9605 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,2,0,0,0,0|2,0,0]=4 9606 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,2,0,0,0,0|2,0,0]=4 9607 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,2,0,0,0,0|2,0,0]=4 9608 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,2,0,0,0,0|2,0,0]=4 9609 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,2,0,0,0,0|2,0,0]=4 9610 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [0,2,0,0,0,0|2,0,0]=4 9611 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [0,2,0,0,0,0|2,0,0]=4 9612 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,2,0,0,0,0|2,0,0]=4 9613 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,2,0,0,0,0|2,0,0]=4 9614 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,2,0,0,0,0|2,0,0]=4 9615 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,2,0,0,0,0|2,0,0]=4 9616 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,2,0,0,0,0|2,0,0]=4 9617 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,2,0,0,0,0|2,0,0]=4 9618 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,2,0,0,0,0|2,0,0]=4 9619 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,2,0,0,0,0|2,0,0]=4 9620 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,2,0,0,0,0|2,0,0]=4 9621 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,2,0,0,0,0|2,0,0]=4 9622 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,2,0,0,0,0|2,0,0]=4 9623 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,2,0,0,0,0|2,0,0]=4 9624 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,2,0,0,0,0|2,0,0]=4 9625 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,2,0,0,0,0|2,0,0]=4 9626 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,2,0,0,0,0|2,0,0]=4 9627 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,2,0,0,0,0|2,0,0]=4 9628 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,2,0,0,0,0|2,0,0]=4 9629 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,2,0,0,0,0|2,0,0]=4 9630 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,2,0,0,0,0|2,0,0]=4 9631 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,2,0,0,0,0|2,0,0]=4 9632 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,2,0,0,0,0|2,0,0]=4 9633 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,2,0,0,0,0|2,0,0]=4 9634 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,2,0,0,0,0|2,0,0]=4 9635 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,2,0,0,0,0|2,0,0]=4 9636 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,2,0,0,0,0|2,0,0]=4 9637 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,2,0,0,0,0|2,0,0]=4 9638 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,2,0,0,0,0|2,0,0]=4 9639 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,2,0,0,0,0|2,0,0]=4 9640 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,2,0,0,0,0|2,0,0]=4 9641 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,2,0,0,0,0|2,0,0]=4 9642 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,2,0,0,0,0|2,0,0]=4 9643 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,2,0,0,0,0|2,0,0]=4 9644 B10R0.1 CCOCCCC(=O)C=CBr 1458a_100016273825_100012232248 [0,2,0,0,0,0|2,0,0]=4 9645 B10R0.1 CCOCCCC(=O)C=CCl 1458a_200016279998_100012232248 [0,2,0,0,0,0|2,0,0]=4 9646 B10R0.1 CCOCCCC(=O)C=CI 1458a_100016256311_100012232248 [0,2,0,0,0,0|2,0,0]=4 9647 B10R0.1 CCOCCCC(=O)CC#N 1458a_100051588842_100012232248 [0,2,0,0,0,0|2,0,0]=4 9648 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,2,0,0,0,0|1,0,0]=3 9649 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,2,0,0,0,0|1,0,0]=3 9650 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [0,2,0,0,0,0|1,1,0]=4 9651 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,2,0,0,0,0|1,0,0]=3 9652 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,2,0,0,0,0|1,0,0]=3 9653 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [0,2,0,0,0,0|2,0,0]=4 9654 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,2,0,0,0,0|2,0,0]=4 9655 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,2,0,0,0,0|2,0,0]=4 9656 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,2,0,0,0,0|2,0,0]=4 9657 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,2,0,0,0,0|2,0,0]=4 9658 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,2,0,0,0,0|2,0,0]=4 9659 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,2,0,0,0,0|2,0,0]=4 9660 B10R0.1 CCOCSCC(=O)NCO 62a_100000185155_100000739092 [0,2,0,0,0,0|2,0,0]=4 9661 B10R0.1 CCOCSCC(=O)NCO 62a_100000739092_100000185155 [0,2,0,0,0,0|2,0,0]=4 9662 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [0,2,0,0,0,0|2,0,0]=4 9663 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [0,2,0,0,0,0|2,0,0]=4 9664 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,2,0,0,0,0|2,0,0]=4 9665 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 9666 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 9667 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 9668 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,2,0,0,0,0|2,0,0]=4 9669 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [0,2,0,0,0,0|2,0,0]=4 9670 B10R0.1 COCC(=O)CCCCC#N 1458a_100000210968_100000211819 [0,2,0,0,0,0|1,0,1]=4 9671 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,2,0,0,0,0|1,0,0]=3 9672 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,2,0,0,0,0|1,0,0]=3 9673 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [0,2,0,0,0,0|2,0,0]=4 9674 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,2,0,0,0,0|2,0,0]=4 9675 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,2,0,0,0,0|2,0,0]=4 9676 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 9677 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 9678 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 9679 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,2,0,0,0,0|2,0,0]=4 9680 B10R0.1 COCCCCC(=O)C=CBr 1458a_100016273825_100000755781 [0,2,0,0,0,0|2,0,0]=4 9681 B10R0.1 COCCCCC(=O)C=CCl 1458a_200016279998_100000755781 [0,2,0,0,0,0|2,0,0]=4 9682 B10R0.1 COCCCCC(=O)C=CI 1458a_100016256311_100000755781 [0,2,0,0,0,0|2,0,0]=4 9683 B10R0.1 COCCCCC(=O)CC#N 1458a_100051588842_100000755781 [0,2,0,0,0,0|2,0,0]=4 9684 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,2,0,0,0,0|1,0,0]=3 9685 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,2,0,0,0,0|1,0,0]=3 9686 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,2,0,0,0,0|1,1,0]=4 9687 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,2,0,0,0,0|2,0,0]=4 9688 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,2,0,0,0,0|2,0,0]=4 9689 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,2,0,0,0,0|2,0,0]=4 9690 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,2,0,0,0,0|2,0,0]=4 9691 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,2,0,0,0,0|2,0,0]=4 9692 B10R0.1 COCCNCC(=O)NCO 2230a_100000209980_100000185155 [0,2,0,0,0,0|2,0,0]=4 9693 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,2,0,0,0,0|2,0,0]=4 9694 B10R0.1 COCCOCC(=O)NCO 34a_100000210237_100000185155 [0,2,0,0,0,0|2,0,0]=4 9695 B10R0.1 COCCSCC(=O)NCO 62a_100000185155_100000233755 [0,2,0,0,0,0|2,0,0]=4 9696 B10R0.1 COCCSCC(=O)NCO 62a_100000233755_100000185155 [0,2,0,0,0,0|2,0,0]=4 9697 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,2,0,0,0,0|1,1,0]=4 9698 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,2,0,0,0,0|1,1,0]=4 9699 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,2,0,0,0,0|2,0,0]=4 9700 B10R0.1 CSCCNCC(=O)NCO 2230a_100020590264_100000185155 [0,2,0,0,0,0|2,0,0]=4 9701 B10R0.1 CSCCOCC(=O)NCO 34a_100000230434_100000185155 [0,2,0,0,0,0|2,0,0]=4 9702 B10R0.1 CSCCOCC(=O)NCO 7a_100000230434_100000185155 [0,2,0,0,0,0|2,0,0]=4 9703 B10R0.1 CSCCSCC(=O)NCO 62a_100000185155_100000751147 [0,2,0,0,0,0|2,0,0]=4 9704 B10R0.1 CSCCSCC(=O)NCO 62a_100000212216_100000185155 [0,2,0,0,0,0|2,0,0]=4 9705 B10R0.1 N#CCC(=O)CCCCCF 1458a_100051588842_100000729378 [0,2,0,0,0,0|2,0,0]=4 9706 B10R0.1 N#CCC(=O)CCCCCO 1458a_100051588842_100000746330 [0,2,0,0,0,0|2,0,0]=4 9707 B10R0.1 N#CCC(=O)CCCCCO 1458a_100102619762_100011214920 [0,2,0,0,0,0|2,0,0]=4 9708 B10R0.1 N#CCCCCC(=O)CCO 1458a_100011216618_100000211819 [0,2,0,0,0,0|1,0,1]=4 9709 B10R0.1 NCCCOCC(=O)NCO 34a_100000182051_100000185155 [0,2,0,0,0,0|2,0,0]=4 9710 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [0,2,0,0,0,0|2,0,0]=4 9711 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [0,2,0,0,0,0|2,0,0]=4 9712 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [0,2,0,0,0,0|2,0,0]=4 9713 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [0,2,0,0,0,0|2,0,0]=4 9714 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [0,2,0,0,0,0|2,0,0]=4 9715 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [0,2,0,0,0,0|2,0,0]=4 9716 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,2,0,0,0,0|2,0,0]=4 9717 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,2,0,0,0,0|1,0,0]=3 9718 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,2,0,0,0,0|1,0,0]=3 9719 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,2,0,0,0,0|1,0,0]=3 9720 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [0,2,0,0,0,0|2,0,0]=4 9721 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [0,2,0,0,0,0|2,0,0]=4 9722 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,2,0,0,0,0|2,0,0]=4 9723 B10R0.1 O=C(CNCCCF)NCO 2230a_100015189416_100000185155 [0,2,0,0,0,0|2,0,0]=4 9724 B10R0.1 O=C(CNCCCF)NCO 34a_100015189416_100000185155 [0,2,0,0,0,0|2,0,0]=4 9725 B10R0.1 O=C(COCCCBr)NCO 34a_100011217188_100000185155 [0,2,0,0,0,0|2,0,0]=4 9726 B10R0.1 O=C(COCCCCl)NCO 34a_100000230001_100000185155 [0,2,0,0,0,0|2,0,0]=4 9727 B10R0.1 O=C(COCCCF)NCO 34a_100000759539_100000185155 [0,2,0,0,0,0|2,0,0]=4 9728 B10R0.1 O=C(CSCCCF)NCO 62a_100000185155_100011934791 [0,2,0,0,0,0|2,0,0]=4 9729 B10R0.1 O=C(CSCCCF)NCO 62a_100011934791_100000185155 [0,2,0,0,0,0|2,0,0]=4 9730 B10R0.1 O=C(CSCCCO)NCO 62a_100000185155_100011215043 [0,2,0,0,0,0|2,0,0]=4 9731 B10R0.1 O=C(CSCCCO)NCO 62a_100011215043_100000185155 [0,2,0,0,0,0|2,0,0]=4 9732 B10R0.41 C=CC(CCCCCC)OC 34a_200011215977_200000210301 [0,2,0,0,0,0|1,0,1]=4 9733 B10R0.41 C=CC(CCCCCC)OC 7a_200011215977_200000210301 [0,2,0,0,0,0|1,0,1]=4 9734 B10R0.41 C=CC(CCCCCC)O[13CH3] 34a_200011215977_200025704644 [0,2,0,0,0,0|1,0,1]=4 9735 B10R0.41 C=CC(CCCCCC)O[13CH3] 7a_200011215977_200025704644 [0,2,0,0,0,0|1,0,1]=4 9736 B10R0.41 CCCCCCC(CC)OC 34a_100011215785_200000210301 [0,2,0,0,0,0|1,0,1]=4 9737 B10R0.41 CCCCCCC(CC)OC 7a_100011215785_200000210301 [0,2,0,0,0,0|1,0,1]=4 9738 B10R0.41 CCCCCCC(CC)O[13CH3] 34a_100011215785_200025704644 [0,2,0,0,0,0|1,0,1]=4 9739 B10R0.41 CCCCCCC(CC)O[13CH3] 7a_100011215785_200025704644 [0,2,0,0,0,0|1,0,1]=4 9740 B10R0.83 C#CC(=O)C(C)CCCCC 1458a_100000211873_200011218191 [0,2,0,0,0,0|1,0,0]=3 9741 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [0,2,0,0,0,0|1,0,1]=4 9742 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [0,2,0,0,0,0|1,0,1]=4 9743 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [0,2,0,0,0,0|1,0,1]=4 9744 B10R0.83 C=CC(=O)C(C)CCCCC 1458a_100000185746_200011218191 [0,2,0,0,0,0|1,0,0]=3 9745 B10R0.83 C=CC(=O)N(C)CCCCC 1626a_100000223495_100000185746 [0,2,0,0,0,0|2,0,0]=4 9746 B10R0.83 C=CC(=O)N(C)CCCCC 240690a_100000223495_200121576911 [0,2,0,0,0,0|2,0,0]=4 9747 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,2,0,0,0,0|1,0,1]=4 9748 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|1,0,0]=3 9749 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|1,0,0]=3 9750 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,2,0,0,0,0|1,0,0]=3 9751 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|0,0,0]=2 9752 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,2,0,0,0,0|1,0,0]=3 9753 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,2,0,0,0,0|1,0,0]=3 9754 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,2,0,0,0,0|1,0,0]=3 9755 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,2,0,0,0,0|1,0,0]=3 9756 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 9757 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 9758 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 9759 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 9760 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,2,0,0,0,0|1,0,0]=3 9761 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,2,0,0,0,0|1,0,0]=3 9762 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [0,2,0,0,0,0|2,0,0]=4 9763 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [0,2,0,0,0,0|2,0,0]=4 9764 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 9765 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 9766 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 9767 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,2,0,0,0,0|1,0,1]=4 9768 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [0,2,0,0,0,0|2,0,0]=4 9769 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [0,2,0,0,0,0|2,0,0]=4 9770 B10R0.83 CCCCNC(C)C(=O)NC 2230a_100000102301_100000731044 [0,2,0,0,0,0|2,0,0]=4 9771 B10R0.83 CCCCNC(C)C(=O)NC 7a_106832991798_100000209862 [0,2,0,0,0,0|2,0,0]=4 9772 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,2,0,0,0,0|1,0,0]=3 9773 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,2,0,0,0,0|1,0,0]=3 9774 B10R0.83 CCCCNC(F)C(=O)NC 2230a_100000102301_100009813575 [0,2,0,0,0,0|2,0,0]=4 9775 B10R0.83 CCCCNC(F)C(=O)NC 7a_106832991798_100009813575 [0,2,0,0,0,0|2,0,0]=4 9776 B10R0.83 CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210211 [0,2,0,0,0,0|2,0,0]=4 9777 B10R0.83 CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210210 [0,2,0,0,0,0|2,0,0]=4 9778 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [0,2,0,0,0,0|2,0,0]=4 9779 B10R0.83 CCCCOC(C)C(=O)NC 34a_100000210227_100000731044 [0,2,0,0,0,0|2,0,0]=4 9780 B10R0.83 CCCCOC(C)C(=O)NC 7a_100000210227_100000209862 [0,2,0,0,0,0|2,0,0]=4 9781 B10R0.83 CCCCOC(C)C(=O)NN 34a_100000725659_100000210210 [0,2,0,0,0,0|2,0,0]=4 9782 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,2,0,0,0,0|1,0,0]=3 9783 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,2,0,0,0,0|1,0,0]=3 9784 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,2,0,0,0,0|1,0,0]=3 9785 B10R0.83 CCCCOC(F)C(=O)NC 34a_100000210227_100009813575 [0,2,0,0,0,0|2,0,0]=4 9786 B10R0.83 CCCCOC(F)C(=O)NC 7a_100000210227_100009813575 [0,2,0,0,0,0|2,0,0]=4 9787 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [0,2,0,0,0,0|2,0,0]=4 9788 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [0,2,0,0,0,0|2,0,0]=4 9789 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [0,2,0,0,0,0|2,0,0]=4 9790 B10R0.83 CCCCSC(C)C(=O)CF 1458a_100000191163_100015361967 [0,2,0,0,0,0|2,0,0]=4 9791 B10R0.83 CCCCSC(C)C(=O)NC 11a_106832991635_100000191163 [0,2,0,0,0,0|2,0,0]=4 9792 B10R0.83 CCCCSC(C)C(=O)NC 1626a_100102657272_100000191163 [0,2,0,0,0,0|2,0,0]=4 9793 B10R0.83 CCCCSC(C)C(=O)NC 240690a_100102657272_100000191163 [0,2,0,0,0,0|2,0,0]=4 9794 B10R0.83 CCCCSC(C)C(=O)NC 527a_100102657272_100000191163 [0,2,0,0,0,0|2,0,0]=4 9795 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000209862_100000210210 [0,2,0,0,0,0|2,0,0]=4 9796 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000210211_100000731044 [0,2,0,0,0,0|2,0,0]=4 9797 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,2,0,0,0,0|1,0,0]=3 9798 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,2,0,0,0,0|1,0,0]=3 9799 B10R0.83 CCCCSC(F)C(=O)NC 62a_100000210211_100009813575 [0,2,0,0,0,0|2,0,0]=4 9800 B10R0.83 CCCCSC(F)C(=O)NC 62a_100009813575_100000210210 [0,2,0,0,0,0|2,0,0]=4 9801 B10R0.83 CCCNCC(C)C(=O)NC 2230a_100015187722_100000210303 [0,2,0,0,0,0|2,0,0]=4 9802 B10R0.83 CCCNCC(C)C(=O)NC 34a_100015187722_100000210303 [0,2,0,0,0,0|2,0,0]=4 9803 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,2,0,0,0,0|1,0,1]=4 9804 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,2,0,0,0,0|1,0,0]=3 9805 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,2,0,0,0,0|1,0,0]=3 9806 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,2,0,0,0,0|1,0,0]=3 9807 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,2,0,0,0,0|1,0,0]=3 9808 B10R0.83 CCCOCC(N)C(=O)NN 34a_100016989258_100000210303 [0,2,0,0,0,0|2,0,0]=4 9809 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,2,0,0,0,0|1,0,0]=3 9810 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,2,0,0,0,0|1,0,1]=4 9811 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,2,0,0,0,0|1,0,1]=4 9812 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,2,0,0,0,0|1,0,0]=3 9813 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,2,0,0,0,0|1,0,0]=3 9814 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,2,0,0,0,0|1,0,0]=3 9815 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,2,0,0,0,0|1,0,0]=3 9816 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000211248_100000739092 [0,2,0,0,0,0|2,0,0]=4 9817 B10R0.83 CCOCSC(C)C(=O)OC 62a_100000739092_100000211248 [0,2,0,0,0,0|2,0,0]=4 9818 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,2,0,0,0,0|1,0,0]=3 9819 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,2,0,0,0,0|1,0,0]=3 9820 B10R0.83 CN(CCCCO)C(=O)CO 240690a_100000717598_100000210174 [0,2,0,0,0,0|2,0,0]=4 9821 B10R0.83 COC(=O)C(C)CCSCF 62a_100000034942_100015361967 [0,2,0,0,0,0|2,0,0]=4 9822 B10R0.83 COC(=O)C(C)CCSCF 62a_100015361967_100000034942 [0,2,0,0,0,0|2,0,0]=4 9823 B10R0.83 COC(=O)C(C)CNCCF 34a_100000724931_100000698445 [0,2,0,0,0,0|2,0,0]=4 9824 B10R0.83 COC(=O)C(C)CNCCO 34a_100016990907_100000698445 [0,2,0,0,0,0|2,0,0]=4 9825 B10R0.83 COC(=O)C(C)COCCBr 34a_100000211926_100000698445 [0,2,0,0,0,0|2,0,0]=4 9826 B10R0.83 COC(=O)C(C)COCCF 34a_100000749362_100011217306 [0,2,0,0,0,0|2,0,0]=4 9827 B10R0.83 COC(=O)C(C)COCCF 7a_100000749362_100011217306 [0,2,0,0,0,0|2,0,0]=4 9828 B10R0.83 COC(=O)C(C)COCCN 34a_100000210304_100000698445 [0,2,0,0,0,0|2,0,0]=4 9829 B10R0.83 COC(=O)C(C)COCCO 34a_100000749362_100000211926 [0,2,0,0,0,0|2,0,0]=4 9830 B10R0.83 COC(=O)C(C)COCCO 7a_100000749362_100000211926 [0,2,0,0,0,0|2,0,0]=4 9831 B10R0.83 COC(=O)C(C)COCSC 34a_100000749362_100011218213 [0,2,0,0,0,0|2,0,0]=4 9832 B10R0.83 COC(=O)C(C)CSCCF 62a_100000698445_100011217306 [0,2,0,0,0,0|2,0,0]=4 9833 B10R0.83 COC(=O)C(C)CSCCF 62a_100011217306_100000698445 [0,2,0,0,0,0|2,0,0]=4 9834 B10R0.83 COC(=O)C(C)CSCCO 62a_100000211926_100000698445 [0,2,0,0,0,0|2,0,0]=4 9835 B10R0.83 COC(=O)C(C)CSCCO 62a_100000698445_100000211926 [0,2,0,0,0,0|2,0,0]=4 9836 B10R0.83 COC(=O)C(C)CSCSC 62a_100000698445_100011218213 [0,2,0,0,0,0|2,0,0]=4 9837 B10R0.83 COC(=O)C(C)CSCSC 62a_100011218213_100000698445 [0,2,0,0,0,0|2,0,0]=4 9838 B10R0.83 COC(=O)C(C)NCCCF 2230a_100015189416_100000211248 [0,2,0,0,0,0|2,0,0]=4 9839 B10R0.83 COC(=O)C(C)NCCCF 34a_100015189416_100000211248 [0,2,0,0,0,0|2,0,0]=4 9840 B10R0.83 COC(=O)C(C)NCCSC 2230a_100020590264_100000211248 [0,2,0,0,0,0|2,0,0]=4 9841 B10R0.83 COC(=O)C(C)OCCCBr 34a_100011217188_100000211248 [0,2,0,0,0,0|2,0,0]=4 9842 B10R0.83 COC(=O)C(C)OCCCCl 34a_100000230001_100000211248 [0,2,0,0,0,0|2,0,0]=4 9843 B10R0.83 COC(=O)C(C)OCCCF 34a_100000759539_100000211248 [0,2,0,0,0,0|2,0,0]=4 9844 B10R0.83 COC(=O)C(C)OCCCF 34a_100011215400_100011934791 [0,2,0,0,0,0|2,0,0]=4 9845 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [0,2,0,0,0,0|2,0,0]=4 9846 B10R0.83 COC(=O)C(C)OCCCO 34a_100011215400_100000230001 [0,2,0,0,0,0|2,0,0]=4 9847 B10R0.83 COC(=O)C(C)OCCSC 34a_100000230434_100000211248 [0,2,0,0,0,0|2,0,0]=4 9848 B10R0.83 COC(=O)C(C)OCCSC 34a_100011215400_100000212216 [0,2,0,0,0,0|2,0,0]=4 9849 B10R0.83 COC(=O)C(C)OCCSC 7a_100000230434_100000211248 [0,2,0,0,0,0|2,0,0]=4 9850 B10R0.83 COC(=O)C(C)SCCCF 62a_100000211248_100011934791 [0,2,0,0,0,0|2,0,0]=4 9851 B10R0.83 COC(=O)C(C)SCCCF 62a_100011934791_100000211248 [0,2,0,0,0,0|2,0,0]=4 9852 B10R0.83 COC(=O)C(C)SCCCO 62a_100000211248_100011215043 [0,2,0,0,0,0|2,0,0]=4 9853 B10R0.83 COC(=O)C(C)SCCCO 62a_100011215043_100000211248 [0,2,0,0,0,0|2,0,0]=4 9854 B10R0.83 COC(=O)C(C)SCCSC 62a_100000211248_100000751147 [0,2,0,0,0,0|2,0,0]=4 9855 B10R0.83 COC(=O)C(C)SCCSC 62a_100000212216_100000211248 [0,2,0,0,0,0|2,0,0]=4 9856 B10R0.83 COC(=O)C(F)COCCF 34a_200009849844_100011217306 [0,2,0,0,0,0|2,0,0]=4 9857 B10R0.83 COC(=O)C(F)COCCO 34a_200009849844_100000211926 [0,2,0,0,0,0|2,0,0]=4 9858 B10R0.83 COC(=O)C(F)COCSC 34a_200009849844_100011218213 [0,2,0,0,0,0|2,0,0]=4 9859 B10R0.83 COC(=O)[C@H](N)COCCF 34a_100000003586_100011217306 [0,2,0,0,0,0|2,0,0]=4 9860 B10R0.83 COC(=O)[C@H](N)COCCO 34a_100000003586_100000211926 [0,2,0,0,0,0|2,0,0]=4 9861 B10R0.83 COC(=O)[C@H](N)COCSC 34a_100000003586_100011218213 [0,2,0,0,0,0|2,0,0]=4 9862 B10R0.83 COCCCN(C)C(=O)CO 240690a_100000224831_100000210174 [0,2,0,0,0,0|2,0,0]=4 9863 B10R0.83 COCCCN(C)C(=O)CO 527a_100000224831_100000210174 [0,2,0,0,0,0|2,0,0]=4 9864 B10R0.83 COCCNC(C)C(=O)OC 2230a_100000209980_100000211248 [0,2,0,0,0,0|2,0,0]=4 9865 B10R0.83 COCCOC(C)C(=O)OC 34a_100000210237_100000211248 [0,2,0,0,0,0|2,0,0]=4 9866 B10R0.83 COCCOC(C)C(=O)OC 34a_100011215400_100011201679 [0,2,0,0,0,0|2,0,0]=4 9867 B10R0.83 COCCSC(C)C(=O)OC 62a_100000211248_100000233755 [0,2,0,0,0,0|2,0,0]=4 9868 B10R0.83 COCCSC(C)C(=O)OC 62a_100000233755_100000211248 [0,2,0,0,0,0|2,0,0]=4 9869 B10R0.83 COCSCC(C)C(=O)OC 62a_100000698445_100000766300 [0,2,0,0,0,0|2,0,0]=4 9870 B10R0.83 COCSCC(C)C(=O)OC 62a_100000766300_100000698445 [0,2,0,0,0,0|2,0,0]=4 9871 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,2,0,0,0,0|1,0,1]=4 9872 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,2,0,0,0,0|0,0,1]=3 9873 B10R0.108 CCCC(=O)CNC(=O)OC 1458a_100000215747_100000210303 [0,2,0,0,0,0|1,0,1]=4 9874 B10R0.108 CCCC(=O)NCC(=O)OC 188690a_100000185156_100000211992 [0,2,0,0,0,0|1,0,1]=4 9875 B10R0.108 CCCC(=O)OCC(=O)CO 1458a_100000210174_100000034017 [0,2,0,0,0,0|1,0,1]=4 9876 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000693194_100000766640 [0,2,0,0,0,0|2,0,0]=4 9877 B10R0.108 CCCC(C)NCC(=O)NC 2230a_100000741246_100000183359 [0,2,0,0,0,0|2,0,0]=4 9878 B10R0.108 CCCC(C)NCC(=O)NC 270004a_100000693194_100000211909 [0,2,0,0,0,0|2,0,0]=4 9879 B10R0.108 CCCC(C)NCC(=O)OC 2230a_100000741246_100000747449 [0,2,0,0,0,0|1,0,0]=3 9880 B10R0.108 CCCC(C)OCC(=O)CC 34a_100000725409_100000766640 [0,2,0,0,0,0|2,0,0]=4 9881 B10R0.108 CCCC(C)OCC(=O)CC 7a_100000764384_100000747405 [0,2,0,0,0,0|2,0,0]=4 9882 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000750040_100000766640 [0,2,0,0,0,0|2,0,0]=4 9883 B10R0.108 CCCC(C)OCC(=O)NC 34a_100000764384_100000183359 [0,2,0,0,0,0|2,0,0]=4 9884 B10R0.108 CCCC(C)OCC(=O)NC 7a_100000764384_100000183359 [0,2,0,0,0,0|2,0,0]=4 9885 B10R0.108 CCCC(C)OCC(=O)OC 34a_100000764384_100000747449 [0,2,0,0,0,0|1,0,0]=3 9886 B10R0.108 CCCC(C)OCC(=O)OC 7a_100000764384_100000747449 [0,2,0,0,0,0|1,0,0]=3 9887 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000747405_100000766640 [0,2,0,0,0,0|2,0,0]=4 9888 B10R0.108 CCCC(C)SCC(=O)CC 62a_100000766640_100000747405 [0,2,0,0,0,0|2,0,0]=4 9889 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000183359_100000766640 [0,2,0,0,0,0|2,0,0]=4 9890 B10R0.108 CCCC(C)SCC(=O)NC 62a_100000766640_100000183359 [0,2,0,0,0,0|2,0,0]=4 9891 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000747449_100000766640 [0,2,0,0,0,0|1,0,0]=3 9892 B10R0.108 CCCC(C)SCC(=O)OC 62a_100000766640_100000747449 [0,2,0,0,0,0|1,0,0]=3 9893 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000747261_100000737683 [0,2,0,0,0,0|2,0,0]=4 9894 B10R0.108 CCCN(C)CCC(=O)NC 2230a_100000750875_100000210303 [0,2,0,0,0,0|2,0,0]=4 9895 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000747261_100000737683 [0,2,0,0,0,0|2,0,0]=4 9896 B10R0.108 CCCN(C)CCC(=O)NC 269982a_100000750875_100000210303 [0,2,0,0,0,0|2,0,0]=4 9897 B10R0.108 CCCN(C)CCC(=O)OC 2230a_100000747261_100000204255 [0,2,0,0,0,0|1,0,0]=3 9898 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100000747261_100000204255 [0,2,0,0,0,0|1,0,0]=3 9899 B10R0.108 CCCN(C)CCC(=O)OC 269982a_100025711912_100000210303 [0,2,0,0,0,0|1,0,0]=3 9900 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 9901 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 9902 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,2,0,0,0,0|1,0,1]=4 9903 B10R0.108 CNCC(=O)CCC(=O)OC 2230a_106832991635_100000691467 [0,2,0,0,0,0|1,0,1]=4 9904 B10R0.108 CNCC(=O)CCC(=O)OC 34a_100102657272_100000691467 [0,2,0,0,0,0|1,0,1]=4 9905 B10R0.108 CNCC(=O)CCC(=O)OC 7a_106832991635_100000691467 [0,2,0,0,0,0|1,0,1]=4 9906 B10R0.108 COC(=O)CCC(=O)CCF 1458a_100000187943_100011217306 [0,2,0,0,0,0|1,0,1]=4 9907 B10R0.108 COC(=O)CCC(=O)CCO 1458a_100000187943_100000211926 [0,2,0,0,0,0|1,0,1]=4 9908 B10R0.108 COC(=O)CCC(=O)CSC 62a_100000691467_200000210301 [0,2,0,0,0,0|1,0,1]=4 9909 B10R0.108 COC(=O)CCC(=O)CSC 62a_200000210301_100000691467 [0,2,0,0,0,0|1,0,1]=4 9910 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_100000691467_200025704644 [0,2,0,0,0,0|1,0,1]=4 9911 B10R0.108 COC(=O)CCC(=O)CS[13CH3] 62a_200025704644_100000691467 [0,2,0,0,0,0|1,0,1]=4 9912 B10R0.108 COC(=O)CCN(C)CCF 269982a_100025711912_100011217306 [0,2,0,0,0,0|2,0,0]=4 9913 B10R0.108 COC(=O)CCN(C)CCO 2230a_100000210263_100000204255 [0,2,0,0,0,0|2,0,0]=4 9914 B10R0.108 COC(=O)CCN(C)CCO 269982a_100000210263_100000204255 [0,2,0,0,0,0|2,0,0]=4 9915 B10R0.108 COC(=O)CCN(C)CCO 269982a_100025711912_100000211926 [0,2,0,0,0,0|2,0,0]=4 9916 B10R0.108 COC(=O)CCN(C)CSC 269982a_100025711912_100011218213 [0,2,0,0,0,0|2,0,0]=4 9917 B10R0.108 COC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747449 [0,2,0,0,0,0|2,0,0]=4 9918 B10R0.108 COC(=O)CN[C@H](C)CCO 34a_100000706166_100000747449 [0,2,0,0,0,0|2,0,0]=4 9919 B10R0.108 COC(=O)COC(C)CCBr 34a_100012276601_100000747449 [0,2,0,0,0,0|2,0,0]=4 9920 B10R0.108 COC(=O)CSC(C)CCO 62a_100000747449_100009893172 [0,2,0,0,0,0|2,0,0]=4 9921 B10R0.108 COC(=O)CSC(C)CCO 62a_100009893172_100000747449 [0,2,0,0,0,0|2,0,0]=4 9922 B10R0.108 COCC(=O)CCC(=O)OC 34a_100138415774_100000691467 [0,2,0,0,0,0|1,0,1]=4 9923 B10R0.108 COCC(C)SCC(=O)OC 62a_100000747449_100000765312 [0,2,0,0,0,0|2,0,0]=4 9924 B10R0.108 COCC(C)SCC(=O)OC 62a_100000765312_100000747449 [0,2,0,0,0,0|2,0,0]=4 9925 B10R0.108 COCC(O)CNC(=O)CO 240690a_100000756049_100000210174 [0,2,0,0,0,0|2,0,0]=4 9926 B10R0.108 COCC(O)CNC(=O)CO 527a_100000756049_100000210174 [0,2,0,0,0,0|2,0,0]=4 9927 B10R0.108 COCN(C)CCC(=O)OC 269982a_100025711912_100000766300 [0,2,0,0,0,0|2,0,0]=4 9928 B10R0.108 COC[C@@H](C)NCC(=O)OC 2230a_100000764878_100000747449 [0,2,0,0,0,0|2,0,0]=4 9929 B10R0.108 COC[C@@H](C)OCC(=O)OC 34a_100011934205_100000747449 [0,2,0,0,0,0|2,0,0]=4 9930 B10R0.26 CC(CCO)N[C@@H](C)C(=O)O 269956a_100000743915_100009893172 [0,2,0,0,0,0|2,0,0]=4 9931 B10R0.26 CCCC(C)NC(C)C(=O)C 2230a_100000741246_100009814033 [0,2,0,0,0,0|2,0,0]=4 9932 B10R0.26 CCCC(C)NC(C)C(=O)N 2230a_100000741246_100000702099 [0,2,0,0,0,0|2,0,0]=4 9933 B10R0.26 CCCC(C)NC(F)C(=O)N 2230a_100000741246_100009813875 [0,2,0,0,0,0|2,0,0]=4 9934 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [0,2,0,0,0,0|1,0,0]=3 9935 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000766640 [0,2,0,0,0,0|2,0,0]=4 9936 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000211909 [0,2,0,0,0,0|2,0,0]=4 9937 B10R0.26 CCCC(C)N[C@H](C)C(=O)N 34a_100000119354_100000766640 [0,2,0,0,0,0|2,0,0]=4 9938 B10R0.26 CCCC(C)OC(C)C(=O)C 34a_100000212229_100000766640 [0,2,0,0,0,0|2,0,0]=4 9939 B10R0.26 CCCC(C)OC(C)C(=O)C 7a_100000764384_100000179758 [0,2,0,0,0,0|2,0,0]=4 9940 B10R0.26 CCCC(C)OC(C)C(=O)N 34a_100000764384_100000702099 [0,2,0,0,0,0|2,0,0]=4 9941 B10R0.26 CCCC(C)OC(C)C(=O)N 7a_100000764384_100000702099 [0,2,0,0,0,0|2,0,0]=4 9942 B10R0.26 CCCC(C)OC(F)C(=O)N 34a_100000764384_100009813875 [0,2,0,0,0,0|2,0,0]=4 9943 B10R0.26 CCCC(C)OC(F)C(=O)N 7a_100000764384_100009813875 [0,2,0,0,0,0|2,0,0]=4 9944 B10R0.26 CCCC(C)OC(F)C(=O)[O-] 34a_100000764384_100020610796 [0,2,0,0,0,0|1,0,1]=4 9945 B10R0.26 CCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000766640 [0,2,0,0,0,0|1,0,1]=4 9946 B10R0.26 CCCC(C)O[C@H](C)C(=O)N 34a_100000731257_100000766640 [0,2,0,0,0,0|2,0,0]=4 9947 B10R0.26 CCCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000766640 [0,2,0,0,0,0|2,0,0]=4 9948 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100000766640_100009814033 [0,2,0,0,0,0|2,0,0]=4 9949 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100009814033_100000766640 [0,2,0,0,0,0|2,0,0]=4 9950 B10R0.26 CCCC(C)SC(C)C(=O)N 62a_100000702099_100000766640 [0,2,0,0,0,0|2,0,0]=4 9951 B10R0.26 CCCC(C)SC(C)C(=O)N 62a_100000766640_100000702099 [0,2,0,0,0,0|2,0,0]=4 9952 B10R0.26 CCCC(C)SC(F)C(=O)N 62a_100000766640_100009813875 [0,2,0,0,0,0|2,0,0]=4 9953 B10R0.26 CCCC(C)SC(F)C(=O)N 62a_100009813875_100000766640 [0,2,0,0,0,0|2,0,0]=4 9954 B10R0.26 CCCC(C)SC(F)C(=O)[O-] 62a_100000766640_100020610796 [0,2,0,0,0,0|1,0,1]=4 9955 B10R0.26 CCCC(C)SC(F)C(=O)[O-] 62a_100020610796_100000766640 [0,2,0,0,0,0|1,0,1]=4 9956 B10R0.26 COCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000765312 [0,2,0,0,0,0|2,0,0]=4 9957 B10R0.42 CC(C)(CNCCF)C(=O)O 269956a_100000693527_100011217306 [0,2,0,0,0,0|2,0,0]=4 9958 B10R0.42 CC(C)(CNCCO)C(=O)O 269956a_100000693527_100000211926 [0,2,0,0,0,0|2,0,0]=4 9959 B10R0.42 CCCCNC(C)(C)C(=O)C 7a_106832991798_100000075568 [0,2,0,0,0,0|2,0,0]=4 9960 B10R0.42 CCCCNC(C)(C)C(=O)N 2230a_100000102301_100000702505 [0,2,0,0,0,0|2,0,0]=4 9961 B10R0.42 CCCCNC(C)(C)C(=O)N 2230a_100000743658_100000210211 [0,2,0,0,0,0|2,0,0]=4 9962 B10R0.42 CCCCNC(C)(C)C(=O)N 34a_100000743658_100000210210 [0,2,0,0,0,0|2,0,0]=4 9963 B10R0.42 CCCCNC(C)(C)C(=O)N 7a_106832991798_100000702505 [0,2,0,0,0,0|2,0,0]=4 9964 B10R0.42 CCCCNC(F)(F)C(=O)N 7a_106832991798_100009811971 [0,2,0,0,0,0|2,0,0]=4 9965 B10R0.42 CCCCOC(C)(C)C(=O)C 34a_100000747739_100000210210 [0,2,0,0,0,0|2,0,0]=4 9966 B10R0.42 CCCCOC(C)(C)C(=O)C 7a_100000210227_100000075568 [0,2,0,0,0,0|2,0,0]=4 9967 B10R0.42 CCCCOC(C)(C)C(=O)C 7a_100000747739_100000210211 [0,2,0,0,0,0|2,0,0]=4 9968 B10R0.42 CCCCOC(C)(C)C(=O)N 34a_100000210227_100000702505 [0,2,0,0,0,0|2,0,0]=4 9969 B10R0.42 CCCCOC(C)(C)C(=O)N 34a_100011626353_100000210210 [0,2,0,0,0,0|2,0,0]=4 9970 B10R0.42 CCCCOC(C)(C)C(=O)N 7a_100000210227_100000702505 [0,2,0,0,0,0|2,0,0]=4 9971 B10R0.42 CCCCOC(C)(C)C(=O)N 7a_100011626353_100000210211 [0,2,0,0,0,0|2,0,0]=4 9972 B10R0.42 CCCCOC(F)(F)C(=O)N 7a_100000210227_100009811971 [0,2,0,0,0,0|2,0,0]=4 9973 B10R0.42 CCCCOC(F)(F)C(=O)[O-] 34a_100000210227_100020612412 [0,2,0,0,0,0|1,0,1]=4 9974 B10R0.42 CCCCSC(C)(C)C(=O)C 62a_100000075568_100000210210 [0,2,0,0,0,0|2,0,0]=4 9975 B10R0.42 CCCCSC(C)(C)C(=O)C 62a_100000210211_100000075568 [0,2,0,0,0,0|2,0,0]=4 9976 B10R0.42 CCCCSC(C)(C)C(=O)N 62a_100000210211_100000702505 [0,2,0,0,0,0|2,0,0]=4 9977 B10R0.42 CCCCSC(C)(C)C(=O)N 62a_100000702505_100000210210 [0,2,0,0,0,0|2,0,0]=4 9978 B10R0.42 CCCCSC(F)(F)C(=O)N 62a_100000210211_100009811971 [0,2,0,0,0,0|2,0,0]=4 9979 B10R0.42 CCCCSC(F)(F)C(=O)N 62a_100009811971_100000210210 [0,2,0,0,0,0|2,0,0]=4 9980 B10R0.42 CCCCSC(F)(F)C(=O)[O-] 62a_100000210211_100000745680 [0,2,0,0,0,0|1,0,1]=4 9981 B10R0.42 CCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210210 [0,2,0,0,0,0|1,0,1]=4 9982 B10R0.42 CCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210303 [0,2,0,0,0,0|2,0,0]=4 9983 B10R0.42 CCCNCC(C)(C)C(=O)N 34a_100000740840_100000210303 [0,2,0,0,0,0|2,0,0]=4 9984 B10R0.42 CCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210207 [0,2,0,0,0,0|1,0,0]=3 9985 B10R0.42 CCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210207 [0,2,0,0,0,0|1,0,0]=3 9986 B10R0.42 CCCNOC(C)(C)C(=O)O 269956a_100016989451_100000210207 [0,2,0,0,0,0|2,0,0]=4 9987 B10R0.42 CCCOCC(C)(C)C(=O)N 34a_100000210258_200009895572 [0,2,0,0,0,0|2,0,0]=4 9988 B10R0.42 CCCSCC(C)(C)C(=O)N 62a_100000210303_200009895572 [0,2,0,0,0,0|2,0,0]=4 9989 B10R0.42 CCCSCC(C)(C)C(=O)N 62a_200009895572_100000210303 [0,2,0,0,0,0|2,0,0]=4 9990 B10R0.42 COCNCC(C)(C)C(=O)O 269956a_100000693527_100000766300 [0,2,0,0,0,0|2,0,0]=4 9991 B10R0.42 COCNCC(F)(F)C(=O)O 269956a_100000734215_100000766300 [0,2,0,0,0,0|2,0,0]=4 9992 B10R0.42 CSCNCC(C)(C)C(=O)O 269956a_100000693527_100011218213 [0,2,0,0,0,0|2,0,0]=4 9993 B10R0.42 CSCNCC(F)(F)C(=O)O 269956a_100000734215_100011218213 [0,2,0,0,0,0|2,0,0]=4 9994 B10R0.42 O=C(O)C(F)(F)CNCCF 269956a_100000734215_100011217306 [0,2,0,0,0,0|2,0,0]=4 9995 B10R0.42 O=C(O)C(F)(F)CNCCO 269956a_100000734215_100000211926 [0,2,0,0,0,0|2,0,0]=4 9996 B10R0.86 C=C[C@H](NCCCC)C(=O)O 269956a_100016992060_100000210211 [0,2,0,0,0,0|1,0,0]=3 9997 B10R0.86 C=C[C@H](NCCCF)C(=O)O 269956a_100016992060_100011934791 [0,2,0,0,0,0|2,0,0]=4 9998 B10R0.86 C=C[C@H](NCCCO)C(=O)O 269956a_100016992060_100011215043 [0,2,0,0,0,0|2,0,0]=4 9999 B10R0.86 C=C[C@H](NCCOC)C(=O)O 269956a_100016992060_100000233755 [0,2,0,0,0,0|2,0,0]=4 10000 B10R0.86 C=C[C@H](NCCSC)C(=O)O 269956a_100016992060_100000212216 [0,2,0,0,0,0|2,0,0]=4 10001 B10R0.86 C=C[C@H](NCOCC)C(=O)O 269956a_100016992060_100000739092 [0,2,0,0,0,0|2,0,0]=4 10002 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,2,0,0,0,0|1,0,0]=3 10003 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,2,0,0,0,0|1,0,0]=3 10004 B10R0.86 CCCCNC(C#N)C(=O)N 2230a_100000039599_100000210211 [0,2,0,0,0,0|2,0,0]=4 10005 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000102301_100000750255 [0,2,0,0,0,0|2,0,0]=4 10006 B10R0.86 CCCCNC(CC)C(=O)N 2230a_100000733705_100000210211 [0,2,0,0,0,0|2,0,0]=4 10007 B10R0.86 CCCCNC(CC)C(=O)N 34a_100000733705_100000210210 [0,2,0,0,0,0|2,0,0]=4 10008 B10R0.86 CCCCNC(CC)C(=O)N 7a_106832991798_100000750255 [0,2,0,0,0,0|2,0,0]=4 10009 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [0,2,0,0,0,0|1,0,0]=3 10010 B10R0.86 CCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210211 [0,2,0,0,0,0|2,0,0]=4 10011 B10R0.86 CCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210210 [0,2,0,0,0,0|2,0,0]=4 10012 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,2,0,0,0,0|1,0,0]=3 10013 B10R0.86 CCCCOC(CC)C(=O)N 34a_100000210227_100000750255 [0,2,0,0,0,0|2,0,0]=4 10014 B10R0.86 CCCCOC(CC)C(=O)N 7a_100000210227_100000750255 [0,2,0,0,0,0|2,0,0]=4 10015 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000210211_100000750255 [0,2,0,0,0,0|2,0,0]=4 10016 B10R0.86 CCCCSC(CC)C(=O)N 62a_100000750255_100000210210 [0,2,0,0,0,0|2,0,0]=4 10017 B10R0.86 CCOCNC(CO)C(=O)O 269956a_100000187304_100000739092 [0,2,0,0,0,0|2,0,0]=4 10018 B10R0.86 CCOCN[C@H](CC)C(=O)O 269956a_100000747097_100000739092 [0,2,0,0,0,0|2,0,0]=4 10019 B10R0.86 CC[C@@H](NCCCF)C(=O)O 269956a_100000747097_100011934791 [0,2,0,0,0,0|2,0,0]=4 10020 B10R0.86 CC[C@@H](NCCCO)C(=O)O 269956a_100000747097_100011215043 [0,2,0,0,0,0|2,0,0]=4 10021 B10R0.86 CC[C@@H](NCCOC)C(=O)O 269956a_100000747097_100000233755 [0,2,0,0,0,0|2,0,0]=4 10022 B10R0.86 CC[C@@H](NCCSC)C(=O)O 269956a_100000747097_100000212216 [0,2,0,0,0,0|2,0,0]=4 10023 B10R0.86 COCCNC(CO)C(=O)O 269956a_100000187304_100000233755 [0,2,0,0,0,0|2,0,0]=4 10024 B10R0.86 CSCCNC(CO)C(=O)O 269956a_100000187304_100000212216 [0,2,0,0,0,0|2,0,0]=4 10025 B10R0.86 O=C(O)C(CO)NCCCF 269956a_100000187304_100011934791 [0,2,0,0,0,0|2,0,0]=4 10026 B10R0.86 O=C(O)C(CO)NCCCO 269956a_100000187304_100011215043 [0,2,0,0,0,0|2,0,0]=4 10027 B10R0.27 C#CC(CCC)OCC(=O)N 34a_200011217317_100000187820 [0,2,0,0,0,0|2,0,0]=4 10028 B10R0.27 C#CC(CCC)OCC(=O)N 7a_200011217317_100000187820 [0,2,0,0,0,0|2,0,0]=4 10029 B10R0.27 C#CC(CCC)OCC(=O)[O-] 34a_200011217317_100020667443 [0,2,0,0,0,0|1,0,1]=4 10030 B10R0.27 C=CC(CCC)OCC(=O)N 34a_100011216692_100000187820 [0,2,0,0,0,0|2,0,0]=4 10031 B10R0.27 C=CC(CCC)OCC(=O)N 7a_100011216692_100000187820 [0,2,0,0,0,0|2,0,0]=4 10032 B10R0.27 C=CC(CCC)OCC(=O)[O-] 34a_100011216692_100020667443 [0,2,0,0,0,0|1,0,1]=4 10033 B10R0.27 CCCC(C#N)OCC(=O)N 34a_100000686963_100000187820 [0,2,0,0,0,0|2,0,0]=4 10034 B10R0.27 CCCC(C#N)OCC(=O)N 7a_100000686963_100000187820 [0,2,0,0,0,0|2,0,0]=4 10035 B10R0.27 CCCC(C#N)OCC(=O)[O-] 34a_100000686963_100020667443 [0,2,0,0,0,0|1,0,1]=4 10036 B10R0.27 CCCC(CC)NCC(=O)N 2230a_100000747048_100000747473 [0,2,0,0,0,0|2,0,0]=4 10037 B10R0.27 CCCC(CC)NCC(=O)O 269956a_100016091260_100011219200 [0,2,0,0,0,0|1,0,0]=3 10038 B10R0.27 CCCC(CC)OCC(=O)N 34a_100000687864_100000187820 [0,2,0,0,0,0|2,0,0]=4 10039 B10R0.27 CCCC(CC)OCC(=O)N 7a_100000687864_100000187820 [0,2,0,0,0,0|2,0,0]=4 10040 B10R0.27 CCCC(CC)OCC(=O)[O-] 34a_100000687864_100020667443 [0,2,0,0,0,0|1,0,1]=4 10041 B10R0.27 CCCC(CC)SCC(=O)N 62a_100000747473_100011219200 [0,2,0,0,0,0|2,0,0]=4 10042 B10R0.27 CCCC(CC)SCC(=O)N 62a_100011219200_100000747473 [0,2,0,0,0,0|2,0,0]=4 10043 B10R0.27 CCCC(CC)SCC(=O)[O-] 62a_100011219200_100020667443 [0,2,0,0,0,0|1,0,1]=4 10044 B10R0.27 CCCC(CC)SCC(=O)[O-] 62a_100020667443_100011219200 [0,2,0,0,0,0|1,0,1]=4 10045 B10R0.27 CCCN(CC)CCC(=O)C 269982a_100000226822_100000053229 [0,2,0,0,0,0|2,0,0]=4 10046 B10R0.27 CCCN(CC)CCC(=O)N 2230a_100000226822_100000744528 [0,2,0,0,0,0|2,0,0]=4 10047 B10R0.27 CCCN(CC)CCC(=O)N 2230a_100020645749_100000210303 [0,2,0,0,0,0|2,0,0]=4 10048 B10R0.27 CCCN(CC)CCC(=O)N 269982a_100000226822_100000744528 [0,2,0,0,0,0|2,0,0]=4 10049 B10R0.27 CCC[C@@H](CO)NCC(=O)N 2230a_100000732646_100000747473 [0,2,0,0,0,0|2,0,0]=4 10050 B10R0.27 CCC[C@@H](CO)NCC(=O)N 34a_100000732646_100000187820 [0,2,0,0,0,0|2,0,0]=4 10051 B10R0.27 CCC[C@@H](CO)NCC(=O)[O-] 34a_100000732646_100020667443 [0,2,0,0,0,0|1,0,1]=4 10052 B10R0.105 CCCC(C)(C)OCC(=O)N 7a_100000748436_100000187820 [0,2,0,0,0,0|2,0,0]=4 10053 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [1,0,0,1,0,0|2,0,0]=4 10054 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [1,0,0,1,0,0|2,0,0]=4 10055 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [1,0,0,1,0,0|2,0,0]=4 10056 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [1,0,0,1,0,0|2,0,0]=4 10057 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [1,0,0,1,0,0|2,0,0]=4 10058 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [1,0,0,1,0,0|2,0,0]=4 10059 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [1,0,0,1,0,0|2,0,0]=4 10060 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [1,0,0,1,0,0|2,0,0]=4 10061 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [1,0,0,1,0,0|2,0,0]=4 10062 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [1,0,0,1,0,0|2,0,0]=4 10063 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [1,0,0,1,0,0|2,0,0]=4 10064 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [1,0,0,1,0,0|1,0,1]=4 10065 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [1,0,0,1,0,0|2,0,0]=4 10066 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [1,0,0,1,0,0|2,0,0]=4 10067 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [1,0,0,1,0,0|2,0,0]=4 10068 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [1,0,0,1,0,0|2,0,0]=4 10069 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [1,0,0,1,0,0|2,0,0]=4 10070 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [1,0,0,1,0,0|2,0,0]=4 10071 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [1,0,0,1,0,0|2,0,0]=4 10072 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [1,0,0,1,0,0|2,0,0]=4 10073 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [1,0,0,1,0,0|2,0,0]=4 10074 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [1,0,0,1,0,0|1,0,1]=4 10075 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [1,0,0,1,0,0|2,0,0]=4 10076 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [1,0,0,1,0,0|2,0,0]=4 10077 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [1,0,0,1,0,0|2,0,0]=4 10078 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [1,0,0,1,0,0|2,0,0]=4 10079 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [1,0,0,1,0,0|2,0,0]=4 10080 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [1,0,0,1,0,0|2,0,0]=4 10081 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [1,0,0,1,0,0|2,0,0]=4 10082 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [1,0,0,1,0,0|2,0,0]=4 10083 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [1,0,0,1,0,0|2,0,0]=4 10084 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [1,0,0,1,0,0|2,0,0]=4 10085 B8R1.8 C=CCN1CCCC1 2230a_100000188435_100000210623 [1,0,0,1,0,0|2,0,0]=4 10086 B8R1.8 C=CCN1CCCC1 269982a_100000188435_100000210623 [1,0,0,1,0,0|2,0,0]=4 10087 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [1,0,0,1,0,0|1,0,1]=4 10088 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [1,0,0,1,0,0|2,0,0]=4 10089 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [1,0,0,1,0,0|2,0,0]=4 10090 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [1,0,0,1,0,0|2,0,0]=4 10091 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [1,0,0,1,0,0|2,0,0]=4 10092 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [1,0,0,1,0,0|2,0,0]=4 10093 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [1,0,0,1,0,0|2,0,0]=4 10094 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [1,0,0,1,0,0|1,0,1]=4 10095 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [1,0,0,1,0,0|1,0,1]=4 10096 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [1,0,0,1,0,0|1,0,1]=4 10097 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [1,0,0,1,0,0|1,0,1]=4 10098 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [1,0,0,1,0,0|2,0,0]=4 10099 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [1,0,0,1,0,0|2,0,0]=4 10100 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [1,0,0,1,0,0|2,0,0]=4 10101 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [1,0,0,1,0,0|1,0,1]=4 10102 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [1,0,0,1,0,0|1,0,1]=4 10103 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [1,0,0,1,0,0|2,0,0]=4 10104 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [1,0,0,1,0,0|2,0,0]=4 10105 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [1,0,0,1,0,0|1,0,1]=4 10106 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [1,0,0,1,0,0|1,0,1]=4 10107 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [1,0,0,1,0,0|1,0,0]=3 10108 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [1,0,0,1,0,0|1,0,0]=3 10109 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [1,0,0,1,0,0|2,0,0]=4 10110 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [1,0,0,1,0,0|2,0,0]=4 10111 B8R1.8 OCCN1CCCC1 2230a_100000188435_100000211926 [1,0,0,1,0,0|1,0,1]=4 10112 B8R1.8 OCCN1CCCC1 269982a_100000188435_100000211926 [1,0,0,1,0,0|1,0,1]=4 10113 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [1,0,0,1,0,0|2,0,0]=4 10114 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [1,0,0,1,0,0|2,0,0]=4 10115 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [1,0,0,1,0,0|1,0,1]=4 10116 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [1,0,0,1,0,0|1,0,1]=4 10117 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [1,0,0,1,0,0|2,0,0]=4 10118 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [1,0,0,1,0,0|2,0,0]=4 10119 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [1,0,0,1,0,0|1,0,1]=4 10120 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [1,0,0,1,0,0|1,0,1]=4 10121 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [1,0,0,1,0,0|2,0,0]=4 10122 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [1,0,0,1,0,0|2,0,0]=4 10123 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [1,0,0,1,0,0|1,0,1]=4 10124 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [1,0,0,1,0,0|1,0,1]=4 10125 B8R1.9 O=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_200015260668 [1,0,0,1,0,0|2,0,0]=4 10126 B8R1.9 O=CCN[C@@H]1C[C@H]1F 2230a_100025746932_200015260668 [1,0,0,1,0,0|2,0,0]=4 10127 B8R1.9 O=CCN[C@@H]1C[C@H]1F 34a_100025746932_200009817547 [1,0,0,1,0,0|2,0,0]=4 10128 B8R1.10 C=CCCN1CCC1 269982a_100000754969_100000754431 [1,0,0,1,0,0|2,0,0]=4 10129 B8R1.10 C=CCNC1CCC1 2230a_100000749019_100000210623 [1,0,0,1,0,0|2,0,0]=4 10130 B8R1.10 C=CCNC1CCC1 270004a_100020586998_100000241760 [1,0,0,1,0,0|2,0,0]=4 10131 B8R1.10 C=CCNC1CCC1 34a_100000749019_100015514636 [1,0,0,1,0,0|2,0,0]=4 10132 B8R1.10 C=CCOC1CCC1 34a_100000748187_100015514636 [1,0,0,1,0,0|2,0,0]=4 10133 B8R1.10 C=CCOC1CCC1 34a_200000210373_100000749161 [1,0,0,1,0,0|2,0,0]=4 10134 B8R1.10 C=CCSC1CCC1 62a_100000210623_100000749161 [1,0,0,1,0,0|2,0,0]=4 10135 B8R1.10 CCNCC1CCO1 2230a_100015525214_100000103362 [1,0,0,1,0,0|1,0,1]=4 10136 B8R1.10 CCNC[C@@H]1CCO1 2230a_100020831831_100000210202 [1,0,0,1,0,0|1,0,1]=4 10137 B8R1.10 CCNC[C@@H]1CCO1 34a_100020831831_100000210202 [1,0,0,1,0,0|1,0,1]=4 10138 B8R1.10 CCOCC1CCO1 34a_100000039022_100000210202 [1,0,0,1,0,0|1,0,1]=4 10139 B8R1.10 CCOCC1CCO1 34a_100121572206_100000103362 [1,0,0,1,0,0|1,0,1]=4 10140 B8R1.10 CCSCC1CCO1 62a_100000103362_100000210202 [1,0,0,1,0,0|1,0,1]=4 10141 B8R1.10 CCSCC1CCO1 62a_100000210202_100000103362 [1,0,0,1,0,0|1,0,1]=4 10142 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [1,0,0,1,0,0|1,0,0]=3 10143 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [1,0,0,1,0,0|1,0,0]=3 10144 B8R1.10 O=CCNC1COC1 2230a_100016991112_200015260668 [1,0,0,1,0,0|2,0,0]=4 10145 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [1,0,0,1,0,0|1,0,0]=3 10146 B8R1.10 O=CCOC1CSC1 7a_100000072292_200015260668 [1,0,0,1,0,0|2,0,0]=4 10147 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [1,0,0,1,0,0|1,0,0]=3 10148 B8R1.10 O=CCSC1COC1 62a_200015260668_100009818527 [1,0,0,1,0,0|2,0,0]=4 10149 B8R1.10 OCCCN1CCC1 269982a_100000754969_100011215043 [1,0,0,1,0,0|1,0,1]=4 10150 B8R1.10 OCCNC1CCC1 2230a_100000749019_100000211926 [1,0,0,1,0,0|1,0,1]=4 10151 B8R1.10 OCCNC1CCC1 270004a_100000210304_100000241760 [1,0,0,1,0,0|1,0,1]=4 10152 B8R1.10 OCCNC1CCC1 34a_100000749019_100000211926 [1,0,0,1,0,0|1,0,1]=4 10153 B8R1.10 OCCNC1CCC1 34a_100016990907_100000749161 [1,0,0,1,0,0|1,0,1]=4 10154 B8R1.10 OCCOC1CCC1 34a_100000748187_100000211926 [1,0,0,1,0,0|1,0,1]=4 10155 B8R1.10 OCCSC1CCC1 62a_100000211926_100000749161 [1,0,0,1,0,0|1,0,1]=4 10156 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [1,0,0,1,0,0|2,0,0]=4 10157 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [1,0,0,1,0,0|2,0,0]=4 10158 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [1,0,0,1,0,0|2,0,0]=4 10159 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [1,0,0,1,0,0|2,0,0]=4 10160 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [1,0,0,1,0,0|2,0,0]=4 10161 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [1,0,0,1,0,0|2,0,0]=4 10162 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [1,0,0,1,0,0|2,0,0]=4 10163 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [1,0,0,1,0,0|2,0,0]=4 10164 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [1,0,0,1,0,0|1,0,1]=4 10165 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [1,0,0,1,0,0|1,0,1]=4 10166 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [1,0,0,1,0,0|1,0,1]=4 10167 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [1,0,0,1,0,0|1,0,0]=3 10168 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [1,0,0,1,0,0|1,0,0]=3 10169 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [1,0,0,1,0,0|1,0,0]=3 10170 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [1,0,0,1,0,0|2,0,0]=4 10171 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 10172 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [1,0,0,1,0,0|2,0,0]=4 10173 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [1,0,0,1,0,0|2,0,0]=4 10174 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [1,0,0,1,0,0|2,0,0]=4 10175 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [1,0,0,1,0,0|2,0,0]=4 10176 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [1,0,0,1,0,0|1,0,0]=3 10177 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [1,0,0,1,0,0|1,0,0]=3 10178 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [1,0,0,1,0,0|2,0,0]=4 10179 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [1,0,0,1,0,0|2,0,0]=4 10180 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [1,0,0,1,0,0|2,0,0]=4 10181 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [1,0,0,1,0,0|2,0,0]=4 10182 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [1,0,0,1,0,0|1,0,0]=3 10183 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [1,0,0,1,0,0|1,0,0]=3 10184 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [1,0,0,1,0,0|2,0,0]=4 10185 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [1,0,0,1,0,0|2,0,0]=4 10186 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [1,0,0,1,0,0|1,0,1]=4 10187 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [1,0,0,1,0,0|1,0,1]=4 10188 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [1,0,0,1,0,0|1,0,1]=4 10189 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [1,0,0,1,0,0|1,0,1]=4 10190 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [1,0,0,1,0,0|1,0,1]=4 10191 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 10192 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [1,0,0,1,0,0|2,0,0]=4 10193 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [1,0,0,1,0,0|1,0,0]=3 10194 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [1,0,0,1,0,0|2,0,0]=4 10195 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [1,0,0,1,0,0|1,0,0]=3 10196 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [1,0,0,1,0,0|1,0,0]=3 10197 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [1,0,0,1,0,0|2,0,0]=4 10198 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [1,0,0,1,0,0|2,0,0]=4 10199 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [1,0,0,1,0,0|1,0,1]=4 10200 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [1,0,0,1,0,0|1,0,1]=4 10201 B8R1.13 C=CCN1CCC1C 269982a_100000755817_100000210623 [1,0,0,1,0,0|2,0,0]=4 10202 B8R1.13 C=CCN1CCC1C 34a_100000755817_100015514636 [1,0,0,1,0,0|2,0,0]=4 10203 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [1,0,0,1,0,0|1,0,0]=3 10204 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [1,0,0,1,0,0|1,0,0]=3 10205 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [1,0,0,1,0,0|1,0,1]=4 10206 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [1,0,0,1,0,0|1,0,1]=4 10207 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [1,0,0,1,0,0|1,0,0]=3 10208 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [1,0,0,1,0,0|1,0,0]=3 10209 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [1,0,0,1,0,0|1,0,0]=3 10210 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [1,0,0,1,0,0|2,0,0]=4 10211 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [1,0,0,1,0,0|2,0,0]=4 10212 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [1,0,0,1,0,0|2,0,0]=4 10213 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [1,0,0,1,0,0|2,0,0]=4 10214 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [1,0,0,1,0,0|2,0,0]=4 10215 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [1,0,0,1,0,0|2,0,0]=4 10216 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [1,0,0,1,0,0|2,0,0]=4 10217 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [1,0,0,1,0,0|2,0,0]=4 10218 B8R1.36 C=CCCNC1CC1 34a_100000212008_100000754431 [1,0,0,1,0,0|2,0,0]=4 10219 B8R1.36 C=CCCOC1CC1 34a_100011205117_100000211595 [1,0,0,1,0,0|2,0,0]=4 10220 B8R1.36 C=CCCSC1CC1 62a_100000754431_100000211595 [1,0,0,1,0,0|2,0,0]=4 10221 B8R1.36 C=CCNCC1CC1 2230a_100000735609_100000210623 [1,0,0,1,0,0|2,0,0]=4 10222 B8R1.36 C=CCNCC1CC1 2230a_100020586998_100000742324 [1,0,0,1,0,0|2,0,0]=4 10223 B8R1.36 C=CCNCC1CC1 34a_100000735609_100015514636 [1,0,0,1,0,0|2,0,0]=4 10224 B8R1.36 C=CCOCC1CC1 34a_100000211283_100015514636 [1,0,0,1,0,0|2,0,0]=4 10225 B8R1.36 C=CCOCC1CC1 34a_200000210373_100000742324 [1,0,0,1,0,0|2,0,0]=4 10226 B8R1.36 C=CCSCC1CC1 62a_100000210623_100000742324 [1,0,0,1,0,0|2,0,0]=4 10227 B8R1.36 C=CCSCC1CC1 62a_100000756562_100000210623 [1,0,0,1,0,0|2,0,0]=4 10228 B8R1.36 CCCOCC1CO1 34a_100000210258_102125554688 [1,0,0,1,0,0|1,0,1]=4 10229 B8R1.36 CCCOC[C@@H]1CO1 34a_100000757423_100000210303 [1,0,0,1,0,0|1,0,1]=4 10230 B8R1.36 CCCSCC1CO1 62a_100000210303_102125554688 [1,0,0,1,0,0|1,0,1]=4 10231 B8R1.36 CCCSCC1CO1 62a_102125554688_100000210303 [1,0,0,1,0,0|1,0,1]=4 10232 B8R1.36 CCCSC[C@@H]1CO1 62a_100000210303_100000745022 [1,0,0,1,0,0|1,0,1]=4 10233 B8R1.36 CCCSC[C@@H]1CO1 62a_100000745022_100000210303 [1,0,0,1,0,0|1,0,1]=4 10234 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [1,0,0,1,0,0|1,0,1]=4 10235 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|1,0,1]=4 10236 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|1,0,1]=4 10237 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [1,0,0,1,0,0|1,0,1]=4 10238 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [1,0,0,1,0,0|1,0,1]=4 10239 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [1,0,0,1,0,0|1,0,1]=4 10240 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [1,0,0,1,0,0|1,0,1]=4 10241 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [1,0,0,1,0,0|1,0,1]=4 10242 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [1,0,0,1,0,0|1,0,1]=4 10243 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [1,0,0,1,0,0|1,0,1]=4 10244 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [1,0,0,1,0,0|1,0,1]=4 10245 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [1,0,0,1,0,0|1,0,0]=3 10246 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [1,0,0,1,0,0|1,0,0]=3 10247 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [1,0,0,1,0,0|1,0,0]=3 10248 B8R1.36 O=CCOC[C@@H]1CO1 34a_100000757423_200009817547 [1,0,0,1,0,0|2,0,0]=4 10249 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [1,0,0,1,0,0|1,0,0]=3 10250 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [1,0,0,1,0,0|1,0,0]=3 10251 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [1,0,0,1,0,0|2,0,0]=4 10252 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [1,0,0,1,0,0|2,0,0]=4 10253 B8R1.36 O=CCSCC1CS1 62a_100000031435_200015260668 [1,0,0,1,0,0|2,0,0]=4 10254 B8R1.36 O=CCSCC1CS1 62a_200015260668_100000031435 [1,0,0,1,0,0|2,0,0]=4 10255 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [1,0,0,1,0,0|2,0,0]=4 10256 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [1,0,0,1,0,0|2,0,0]=4 10257 B8R1.36 OCCCNC1CC1 34a_100000212008_100000230001 [1,0,0,1,0,0|1,0,1]=4 10258 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [1,0,0,1,0,0|1,0,1]=4 10259 B8R1.36 OCCNCC1CC1 2230a_100000735609_100000211926 [1,0,0,1,0,0|1,0,1]=4 10260 B8R1.36 OCCNCC1CC1 2230a_100016997473_100000742324 [1,0,0,1,0,0|1,0,1]=4 10261 B8R1.36 OCCNCC1CC1 269862a_100000210304_100000741477 [1,0,0,1,0,0|1,0,1]=4 10262 B8R1.36 OCCNCC1CC1 34a_100000735609_100000211926 [1,0,0,1,0,0|1,0,1]=4 10263 B8R1.36 OCCNCC1CC1 34a_100016990907_100000742324 [1,0,0,1,0,0|1,0,1]=4 10264 B8R1.36 OCCOCC1CC1 34a_100000211283_100000211926 [1,0,0,1,0,0|1,0,1]=4 10265 B8R1.36 OCCSCC1CC1 62a_100000211926_100000742324 [1,0,0,1,0,0|1,0,1]=4 10266 B8R1.36 OCCSCC1CC1 62a_100000756562_100000211926 [1,0,0,1,0,0|1,0,1]=4 10267 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [1,0,0,1,0,0|1,0,1]=4 10268 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [1,0,0,1,0,0|1,0,1]=4 10269 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,0,0,1,0,0|2,0,0]=4 10270 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|2,0,0]=4 10271 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,1,0,0|2,0,0]=4 10272 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,0,0,1,0,0|2,0,0]=4 10273 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|2,0,0]=4 10274 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,0,0,1,0,0|2,0,0]=4 10275 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|2,0,0]=4 10276 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|2,0,0]=4 10277 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|2,0,0]=4 10278 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|2,0,0]=4 10279 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|2,0,0]=4 10280 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|2,0,0]=4 10281 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|2,0,0]=4 10282 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|2,0,0]=4 10283 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|2,0,0]=4 10284 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|1,0,0]=3 10285 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|1,0,0]=3 10286 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|2,0,0]=4 10287 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|2,0,0]=4 10288 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|2,0,0]=4 10289 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|2,0,0]=4 10290 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|2,0,0]=4 10291 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|2,0,0]=4 10292 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|1,0,0]=3 10293 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|2,0,0]=4 10294 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|2,0,0]=4 10295 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|2,0,0]=4 10296 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 10297 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 10298 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|2,0,0]=4 10299 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|1,0,0]=3 10300 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|1,0,0]=3 10301 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|1,0,0]=3 10302 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|1,0,0]=3 10303 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|2,0,0]=4 10304 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|2,0,0]=4 10305 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|2,0,0]=4 10306 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 10307 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 10308 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 10309 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|2,0,0]=4 10310 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [1,0,0,1,0,0|2,0,0]=4 10311 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [1,0,0,1,0,0|1,0,1]=4 10312 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|1,0,0]=3 10313 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|2,0,0]=4 10314 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|1,0,0]=3 10315 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|1,0,0]=3 10316 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|2,0,0]=4 10317 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|2,0,0]=4 10318 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 10319 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 10320 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 10321 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|2,0,0]=4 10322 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [1,0,0,1,0,0|2,0,0]=4 10323 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [1,0,0,1,0,0|2,0,0]=4 10324 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [1,0,0,1,0,0|1,0,0]=3 10325 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [1,0,0,1,0,0|1,0,1]=4 10326 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [1,0,0,1,0,0|1,0,1]=4 10327 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|1,0,0]=3 10328 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|1,0,0]=3 10329 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|1,0,0]=3 10330 B10R1.13 C=C1CCC(CC1)C(=O)C 1458a_200000138047_200000210301 [0,1,0,1,0,0|1,0,1]=4 10331 B10R1.13 C=C1CCC(CC1)C(=O)[13CH3] 1458a_200000138047_200025704644 [0,1,0,1,0,0|1,0,1]=4 10332 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,1,0,0|1,0,0]=3 10333 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,1,0,0|1,0,0]=3 10334 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [0,1,0,1,0,0|2,0,0]=4 10335 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,1,0,1,0,0|2,0,0]=4 10336 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,1,0,1,0,0|2,0,0]=4 10337 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [0,1,0,1,0,0|2,0,0]=4 10338 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [0,1,0,1,0,0|2,0,0]=4 10339 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [0,1,0,1,0,0|2,0,0]=4 10340 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [0,1,0,1,0,0|2,0,0]=4 10341 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [0,1,0,1,0,0|2,0,0]=4 10342 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [0,1,0,1,0,0|2,0,0]=4 10343 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,1,0,0|1,0,0]=3 10344 B10R1.13 CN1CCC(CC1)C(=O)N 2230a_100000210938_200000210301 [0,1,0,1,0,0|2,0,0]=4 10345 B10R1.13 CN1CCC(CC1)C(=O)N 269982a_100000210938_200000210301 [0,1,0,1,0,0|2,0,0]=4 10346 B10R1.13 CN1CCC(CC1)C(=O)N 34a_100000210938_200000210301 [0,1,0,1,0,0|2,0,0]=4 10347 B10R1.13 CN1CCC(CC1)C(=O)O 269956a_100000210459_200000210301 [0,1,0,1,0,0|1,0,0]=3 10348 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [0,1,0,1,0,0|2,0,0]=4 10349 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,1,0,1,0,0|1,0,0]=3 10350 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,1,0,0|1,0,0]=3 10351 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 2230a_100000210938_200025704644 [0,1,0,1,0,0|2,0,0]=4 10352 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 269982a_100000210938_200025704644 [0,1,0,1,0,0|2,0,0]=4 10353 B10R1.13 [13CH3]N1CCC(CC1)C(=O)N 34a_100000210938_200025704644 [0,1,0,1,0,0|2,0,0]=4 10354 B10R1.13 [13CH3]N1CCC(CC1)C(=O)O 269956a_100000210459_200025704644 [0,1,0,1,0,0|1,0,0]=3 10355 B10R1.14 CCC(=O)C1CCC(=O)N1 1458a_100000210400_100000210202 [0,1,0,1,0,0|1,0,1]=4 10356 B10R1.14 CCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100000210202 [0,1,0,1,0,0|0,0,1]=3 10357 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 11a_106832991635_100009814974 [0,1,0,1,0,0|1,0,1]=4 10358 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 1626a_100102657272_100009814974 [0,1,0,1,0,0|1,0,1]=4 10359 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 240690a_100102657272_100009814974 [0,1,0,1,0,0|1,0,1]=4 10360 B10R1.14 CNC(=O)[C@@H]1CCC(=O)O1 527a_100102657272_100009814974 [0,1,0,1,0,0|1,0,1]=4 10361 B10R1.14 O=C1CC[C@H](O1)C(=O)CF 1458a_100009814974_100015361967 [0,1,0,1,0,0|1,0,1]=4 10362 B10R1.31 CCN1CCC(C1)C(=O)C 1458a_100103286618_200000210301 [0,1,0,1,0,0|2,0,0]=4 10363 B10R1.31 CCN1CCC(C1)C(=O)N 2230a_100000752358_100000210202 [0,1,0,1,0,0|2,0,0]=4 10364 B10R1.31 CCN1CCC(C1)C(=O)N 269982a_100000752358_100000204670 [0,1,0,1,0,0|2,0,0]=4 10365 B10R1.31 CCN1CCC(C1)C(=O)N 34a_100000752358_100000210202 [0,1,0,1,0,0|2,0,0]=4 10366 B10R1.31 CCN1CCC(C1)C(=O)[13CH3] 1458a_100103286618_200025704644 [0,1,0,1,0,0|2,0,0]=4 10367 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,1,0,1,0,0|1,0,0]=3 10368 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,1,0,1,0,0|1,0,0]=3 10369 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,1,0,1,0,0|1,0,1]=4 10370 B10R1.54 CC(=O)CC1CCN(C1)C 1458a_100000070787_200000690779 [0,1,0,1,0,0|2,0,0]=4 10371 B10R1.54 CC(=O)CC1CNC(=O)O1 1458a_100000070787_100000181169 [0,1,0,1,0,0|1,0,1]=4 10372 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,1,0,1,0,0|1,0,1]=4 10373 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,1,0,1,0,0|1,0,1]=4 10374 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [0,1,0,1,0,0|2,0,0]=4 10375 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [0,1,0,1,0,0|2,0,0]=4 10376 B10R1.54 CC(C)NC1COC(=O)O1 34a_100138425928_100000032252 [0,1,0,1,0,0|2,0,0]=4 10377 B10R1.54 CC(C)OC1CCC(=O)C1 34a_100012614533_100000210206 [0,1,0,1,0,0|2,0,0]=4 10378 B10R1.54 CC(C)OC1COC(=O)O1 34a_100000212225_100000032252 [0,1,0,1,0,0|2,0,0]=4 10379 B10R1.54 CC(C)SC1COC(=O)O1 62a_100000210206_100000032252 [0,1,0,1,0,0|2,0,0]=4 10380 B10R1.54 CN(C)CC1CNC(=O)O1 2230a_100102631434_100000181169 [0,1,0,1,0,0|2,0,0]=4 10381 B10R1.54 CN(C)CC1CNC(=O)O1 269982a_100102631434_100000181169 [0,1,0,1,0,0|2,0,0]=4 10382 B10R1.54 CN(C)CC1COC(=O)O1 269982a_100102631434_100000073702 [0,1,0,1,0,0|2,0,0]=4 10383 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 2230a_100102631434_100015189358 [0,1,0,1,0,0|2,0,0]=4 10384 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 269982a_100102631434_100015189358 [0,1,0,1,0,0|2,0,0]=4 10385 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,1,0,1,0,0|1,0,0]=3 10386 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 2230a_100016987628_100000747473 [0,1,0,1,0,0|2,0,0]=4 10387 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 269982a_100016987628_100000187820 [0,1,0,1,0,0|2,0,0]=4 10388 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 34a_100016987628_100000187820 [0,1,0,1,0,0|2,0,0]=4 10389 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 269982a_100016987628_100020667443 [0,1,0,1,0,0|1,0,1]=4 10390 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 34a_100016987628_100020667443 [0,1,0,1,0,0|1,0,1]=4 10391 B10R1.54 NC(=O)CN1CCC(C1)O 2230a_100011215560_100000747473 [0,1,0,1,0,0|2,0,0]=4 10392 B10R1.54 NC(=O)CN1CCC(C1)O 269982a_100011215560_100000187820 [0,1,0,1,0,0|2,0,0]=4 10393 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 2230a_100015203821_100000747473 [0,1,0,1,0,0|2,0,0]=4 10394 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 269982a_100015203821_100000187820 [0,1,0,1,0,0|2,0,0]=4 10395 B10R1.54 NC(=O)CN1CC[C@@H](C1)F 34a_100015203821_100000187820 [0,1,0,1,0,0|2,0,0]=4 10396 B10R1.54 O=C([O-])CN1CCC(C1)O 269982a_100011215560_100020667443 [0,1,0,1,0,0|1,0,1]=4 10397 B10R1.54 O=C([O-])CN1CC[C@@H](C1)F 269982a_100015203821_100020667443 [0,1,0,1,0,0|1,0,1]=4 10398 B10R1.54 O=C([O-])CN1CC[C@@H](C1)F 34a_100015203821_100020667443 [0,1,0,1,0,0|1,0,1]=4 10399 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,1,0,1,0,0|1,0,1]=4 10400 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,1,0,1,0,0|1,0,0]=3 10401 B10R1.73 C=C(C)COCC1CC1C 34a_100000744939_100000748629 [0,1,0,1,0,0|2,0,0]=4 10402 B10R1.73 C=C(C)COCC1CC1C 7a_100000744939_100000748629 [0,1,0,1,0,0|2,0,0]=4 10403 B10R1.73 C=C(F)COCC1CC1C 34a_100000744939_100009893438 [0,1,0,1,0,0|2,0,0]=4 10404 B10R1.73 C=C(F)COCC1CC1C 7a_100000744939_100000042424 [0,1,0,1,0,0|2,0,0]=4 10405 B10R1.73 CC(O)COCC1CC1C 34a_100000744939_100011218427 [0,1,0,1,0,0|1,0,1]=4 10406 B10R1.73 CC(O)COCC1CC1C 7a_100000744939_100011218427 [0,1,0,1,0,0|1,0,1]=4 10407 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [0,1,0,1,0,0|1,0,0]=3 10408 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [0,1,0,1,0,0|1,0,0]=3 10409 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [0,1,0,1,0,0|0,0,1]=3 10410 B10R1.73 CC1CC1COC[C@@H](C)O 34a_100000744939_100009817552 [0,1,0,1,0,0|1,0,1]=4 10411 B10R1.73 CC1CC1COC[C@@H](C)O 7a_100000744939_100009817552 [0,1,0,1,0,0|1,0,1]=4 10412 B10R1.73 CC1CC1COC[N+](=O)[O-] 34a_100000744939_100000761209 [0,1,0,1,0,0|1,0,1]=4 10413 B10R1.73 NC(=O)CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000744528 [0,1,0,1,0,0|2,0,0]=4 10414 B10R1.73 NC(=O)CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000744528 [0,1,0,1,0,0|2,0,0]=4 10415 B10R1.73 NC(=O)CCN[C@@H]1C[C@H]1F 34a_100025746932_100000731001 [0,1,0,1,0,0|2,0,0]=4 10416 B10R1.80 C[C@H]1[C@H](CN1CC(=O)N)O 2230a_206633788156_100000747473 [0,1,0,1,0,0|2,0,0]=4 10417 B10R1.80 C[C@H]1[C@H](CN1CC(=O)N)O 269982a_206633788156_100000187820 [0,1,0,1,0,0|2,0,0]=4 10418 B10R1.80 C[C@H]1[C@H](CN1CC(=O)[O-])O 269982a_206633788156_100020667443 [0,1,0,1,0,0|1,0,1]=4 10419 B10R1.117 C=C(C)CCN1CCC1C 269982a_100000755817_100000730704 [0,1,0,1,0,0|2,0,0]=4 10420 B10R1.117 C=C(C)CCN1CCC1C 34a_100000755817_100000730704 [0,1,0,1,0,0|2,0,0]=4 10421 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,1,0,1,0,0|1,0,1]=4 10422 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,1,0,1,0,0|1,0,0]=3 10423 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [0,1,0,1,0,0|2,0,0]=4 10424 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [0,1,0,1,0,0|2,0,0]=4 10425 B10R1.117 CC(O)CCN1CCC1C 269982a_100000755817_100012276601 [0,1,0,1,0,0|1,0,1]=4 10426 B10R1.117 CC(O)CCN1CCC1C 34a_100000755817_100012276601 [0,1,0,1,0,0|1,0,1]=4 10427 B10R1.117 CC1CCN1CCC(=O)N 269982a_100000755817_100000744528 [0,1,0,1,0,0|1,0,0]=3 10428 B10R1.117 CC1CCN1CCC(=O)N 34a_100000755817_100000731001 [0,1,0,1,0,0|1,0,0]=3 10429 B10R1.117 O=C(O)CNC1CCC1=O 269956a_100016091260_100009892977 [0,1,0,1,0,0|1,0,1]=4 10430 B10R1.127 C=C(Br)CCOC1CCC1 34a_100009813270_100000749161 [0,1,0,1,0,0|2,0,0]=4 10431 B10R1.127 C=C(C)CCNC1CCC1 2230a_100000749019_100000730704 [0,1,0,1,0,0|2,0,0]=4 10432 B10R1.127 C=C(C)CCNC1CCC1 34a_100000749019_100000730704 [0,1,0,1,0,0|2,0,0]=4 10433 B10R1.127 C=C(C)CCOC1CCC1 34a_100000748187_100000730704 [0,1,0,1,0,0|2,0,0]=4 10434 B10R1.127 C=C(C)CCOC1CCC1 34a_100000764851_100000749161 [0,1,0,1,0,0|2,0,0]=4 10435 B10R1.127 C=C(C)CCSC1CCC1 62a_100000730704_100000749161 [0,1,0,1,0,0|2,0,0]=4 10436 B10R1.127 C=C(C)CNCC1CCC1 2230a_100000738700_100000748629 [0,1,0,1,0,0|2,0,0]=4 10437 B10R1.127 C=C(C)CNCC1CCC1 34a_100000738700_100000748629 [0,1,0,1,0,0|2,0,0]=4 10438 B10R1.127 C=C(C)COCC1CCC1 34a_100000210245_100000763275 [0,1,0,1,0,0|2,0,0]=4 10439 B10R1.127 C=C(C)COCC1CCC1 34a_100000760304_100000748629 [0,1,0,1,0,0|2,0,0]=4 10440 B10R1.127 C=C(C)CSCC1CCC1 62a_100000748629_100000763275 [0,1,0,1,0,0|2,0,0]=4 10441 B10R1.127 C=C(C)CSCC1CCC1 62a_100000763275_100000211660 [0,1,0,1,0,0|2,0,0]=4 10442 B10R1.127 C=C(F)CNCC1CCC1 2230a_100000738700_100009893438 [0,1,0,1,0,0|2,0,0]=4 10443 B10R1.127 C=C(F)CNCC1CCC1 34a_100000738700_100009893438 [0,1,0,1,0,0|2,0,0]=4 10444 B10R1.127 C=C(F)COCC1CCC1 34a_100000760304_100009893438 [0,1,0,1,0,0|2,0,0]=4 10445 B10R1.127 C=C(F)COCC1CCC1 34a_200010262243_100000763275 [0,1,0,1,0,0|2,0,0]=4 10446 B10R1.127 C=C(F)CSCC1CCC1 62a_100000042424_100000763275 [0,1,0,1,0,0|2,0,0]=4 10447 B10R1.127 C=C(F)CSCC1CCC1 62a_100000763275_100000042424 [0,1,0,1,0,0|2,0,0]=4 10448 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,1,0,1,0,0|1,0,0]=3 10449 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,1,0,1,0,0|1,0,0]=3 10450 B10R1.127 CC(=O)CCOC1COC1 34a_100000759926_100009818527 [0,1,0,1,0,0|2,0,0]=4 10451 B10R1.127 CC(=O)CCOC1COC1 7a_100000759926_100009818527 [0,1,0,1,0,0|2,0,0]=4 10452 B10R1.127 CC(=O)CCOC1CSC1 7a_100000072292_100000053229 [0,1,0,1,0,0|2,0,0]=4 10453 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,1,0,1,0,0|1,0,0]=3 10454 B10R1.127 CC(=O)CCSC1COC1 62a_100000053229_100009818527 [0,1,0,1,0,0|2,0,0]=4 10455 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,1,0,1,0,0|1,0,0]=3 10456 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [0,1,0,1,0,0|2,0,0]=4 10457 B10R1.127 CC(=O)COCC1COC1 34a_100000211253_100010264016 [0,1,0,1,0,0|2,0,0]=4 10458 B10R1.127 CC(=O)NCCN1CCC1 240690a_100000691440_100015343762 [0,1,0,1,0,0|2,0,0]=4 10459 B10R1.127 CC(=O)NCCN1CCC1 269982a_100000754969_100000189650 [0,1,0,1,0,0|2,0,0]=4 10460 B10R1.127 CC(=O)NNCC1CCC1 22a_200020586977_100000070787 [0,1,0,1,0,0|2,0,0]=4 10461 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [0,1,0,1,0,0|2,0,0]=4 10462 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [0,1,0,1,0,0|2,0,0]=4 10463 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [0,1,0,1,0,0|2,0,0]=4 10464 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [0,1,0,1,0,0|2,0,0]=4 10465 B10R1.127 CC(O)CCCN1CCC1 269982a_100000754969_200000718107 [0,1,0,1,0,0|1,0,1]=4 10466 B10R1.127 CC(O)CCNC1CCC1 2230a_100000749019_100012276601 [0,1,0,1,0,0|1,0,1]=4 10467 B10R1.127 CC(O)CCNC1CCC1 270004a_200000755665_100000241760 [0,1,0,1,0,0|1,0,1]=4 10468 B10R1.127 CC(O)CCNC1CCC1 34a_100000749019_100012276601 [0,1,0,1,0,0|1,0,1]=4 10469 B10R1.127 CC(O)CCOC1CCC1 34a_100000748187_100012276601 [0,1,0,1,0,0|1,0,1]=4 10470 B10R1.127 CC(O)CCSC1CCC1 62a_100012276601_100000749161 [0,1,0,1,0,0|1,0,1]=4 10471 B10R1.127 CC(O)CNCC1CCC1 2230a_100000210904_100000763275 [0,1,0,1,0,0|1,0,1]=4 10472 B10R1.127 CC(O)CNCC1CCC1 2230a_100000738700_100011218427 [0,1,0,1,0,0|1,0,1]=4 10473 B10R1.127 CC(O)CNCC1CCC1 269862a_100000210904_100000753134 [0,1,0,1,0,0|1,0,1]=4 10474 B10R1.127 CC(O)CNCC1CCC1 34a_100000210904_100000763275 [0,1,0,1,0,0|1,0,1]=4 10475 B10R1.127 CC(O)CNCC1CCC1 34a_100000738700_100011218427 [0,1,0,1,0,0|1,0,1]=4 10476 B10R1.127 CC(O)COCC1CCC1 34a_100000760304_100011218427 [0,1,0,1,0,0|1,0,1]=4 10477 B10R1.127 CC(O)CSCC1CCC1 62a_100000763275_100011218427 [0,1,0,1,0,0|1,0,1]=4 10478 B10R1.127 CC(O)CSCC1CCC1 62a_100011218427_100000763275 [0,1,0,1,0,0|1,0,1]=4 10479 B10R1.127 C[C@@H](O)CNCC1CCC1 2230a_100000738700_100009817552 [0,1,0,1,0,0|1,0,1]=4 10480 B10R1.127 C[C@@H](O)CNCC1CCC1 34a_100000738700_100009817552 [0,1,0,1,0,0|1,0,1]=4 10481 B10R1.127 C[C@@H](O)COCC1CCC1 34a_100000760304_100009817552 [0,1,0,1,0,0|1,0,1]=4 10482 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100000763275_100009817552 [0,1,0,1,0,0|1,0,1]=4 10483 B10R1.127 C[C@@H](O)CSCC1CCC1 62a_100009817552_100000763275 [0,1,0,1,0,0|1,0,1]=4 10484 B10R1.127 NC(=O)CCCN1CCC1 269982a_100000754969_100102525003 [0,1,0,1,0,0|1,0,0]=3 10485 B10R1.127 NC(=O)CCNC1CCC1 2230a_100000749019_100000744528 [0,1,0,1,0,0|1,0,0]=3 10486 B10R1.127 NC(=O)CCNC1CCC1 34a_100000749019_100000731001 [0,1,0,1,0,0|1,0,0]=3 10487 B10R1.127 NC(=O)CCNC1COC1 2230a_100016991112_100000744528 [0,1,0,1,0,0|2,0,0]=4 10488 B10R1.127 NC(=O)CCOC1CCC1 34a_100000748187_100000731001 [0,1,0,1,0,0|1,0,0]=3 10489 B10R1.127 NC(=O)CCOC1CCC1 34a_100000757172_100000749161 [0,1,0,1,0,0|1,0,0]=3 10490 B10R1.127 NC(=O)CCOC1COC1 34a_100000757172_100009818527 [0,1,0,1,0,0|2,0,0]=4 10491 B10R1.127 NC(=O)CCOC1COC1 7a_100000757172_100009818527 [0,1,0,1,0,0|2,0,0]=4 10492 B10R1.127 NC(=O)CCOC1CSC1 7a_100000072292_100000744528 [0,1,0,1,0,0|2,0,0]=4 10493 B10R1.127 NC(=O)CCSC1CCC1 62a_100000744528_100000749161 [0,1,0,1,0,0|1,0,0]=3 10494 B10R1.127 NC(=O)CCSC1COC1 62a_100000744528_100009818527 [0,1,0,1,0,0|2,0,0]=4 10495 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000711301_100000763275 [0,1,0,1,0,0|1,0,0]=3 10496 B10R1.127 NC(=O)CNCC1CCC1 2230a_100000738700_100000747473 [0,1,0,1,0,0|1,0,0]=3 10497 B10R1.127 NC(=O)CNCC1CCC1 34a_100000738700_100000187820 [0,1,0,1,0,0|1,0,0]=3 10498 B10R1.127 NC(=O)CNCC1CCO1 2230a_100000711301_100000103362 [0,1,0,1,0,0|2,0,0]=4 10499 B10R1.127 NC(=O)CNCC1COC1 2230a_100000711301_100010264016 [0,1,0,1,0,0|2,0,0]=4 10500 B10R1.127 NC(=O)CNCC1COC1 2230a_100015281925_100000747473 [0,1,0,1,0,0|2,0,0]=4 10501 B10R1.127 NC(=O)CNCC1COC1 34a_100015281925_100000187820 [0,1,0,1,0,0|2,0,0]=4 10502 B10R1.127 NC(=O)CNC[C@@H]1CCO1 2230a_100020831831_100000747473 [0,1,0,1,0,0|2,0,0]=4 10503 B10R1.127 NC(=O)CNC[C@@H]1CCO1 34a_100020831831_100000187820 [0,1,0,1,0,0|2,0,0]=4 10504 B10R1.127 NC(=O)COCC1CCC1 34a_100000760304_100000187820 [0,1,0,1,0,0|1,0,0]=3 10505 B10R1.127 NC(=O)COCC1CCO1 34a_100000039022_100000187820 [0,1,0,1,0,0|2,0,0]=4 10506 B10R1.127 NC(=O)COCC1CNC1 34a_100016987283_100000187820 [0,1,0,1,0,0|2,0,0]=4 10507 B10R1.127 NC(=O)COCC1COC1 34a_100000060846_100000187820 [0,1,0,1,0,0|2,0,0]=4 10508 B10R1.127 NC(=O)CSCC1CCC1 62a_100000747473_100000763275 [0,1,0,1,0,0|1,0,0]=3 10509 B10R1.127 NC(=O)CSCC1CCC1 62a_100000763275_100000747473 [0,1,0,1,0,0|1,0,0]=3 10510 B10R1.127 NC(=O)CSCC1CCO1 62a_100000103362_100000747473 [0,1,0,1,0,0|2,0,0]=4 10511 B10R1.127 NC(=O)CSCC1CCO1 62a_100000747473_100000103362 [0,1,0,1,0,0|2,0,0]=4 10512 B10R1.127 NC(=O)CSCC1COC1 62a_100000747473_100010264016 [0,1,0,1,0,0|2,0,0]=4 10513 B10R1.127 NC(=O)CSCC1COC1 62a_100010264016_100000747473 [0,1,0,1,0,0|2,0,0]=4 10514 B10R1.127 NC(=O)NCCN1CCC1 269982a_100000754969_200000034859 [0,1,0,1,0,0|2,0,0]=4 10515 B10R1.127 NC(=O)OCCN1CCC1 269982a_100000754969_200011214921 [0,1,0,1,0,0|2,0,0]=4 10516 B10R1.127 O=C(O)CNCC1CCC1 269956a_100016091260_100000763275 [0,1,0,1,0,0|0,0,0]=2 10517 B10R1.127 O=C(O)CNCC1CCO1 269956a_100016091260_100000103362 [0,1,0,1,0,0|1,0,0]=3 10518 B10R1.127 O=C(O)CNCC1COC1 269956a_100016091260_100010264016 [0,1,0,1,0,0|1,0,0]=3 10519 B10R1.127 O=C(O)CONC1CCC1 269956a_100000106656_100000749161 [0,1,0,1,0,0|1,0,0]=3 10520 B10R1.127 O=C(O)CONC1COC1 269956a_100000106656_100009818527 [0,1,0,1,0,0|2,0,0]=4 10521 B10R1.127 O=C([O-])CNCC1CCC1 34a_100000738700_100020667443 [0,1,0,1,0,0|0,0,1]=3 10522 B10R1.127 O=C([O-])CNCC1COC1 34a_100015281925_100020667443 [0,1,0,1,0,0|1,0,1]=4 10523 B10R1.127 O=C([O-])CNC[C@@H]1CCO1 34a_100020831831_100020667443 [0,1,0,1,0,0|1,0,1]=4 10524 B10R1.127 O=C([O-])COCC1CCC1 34a_100000760304_100020667443 [0,1,0,1,0,0|0,0,1]=3 10525 B10R1.127 O=C([O-])COCC1CCO1 34a_100000039022_100020667443 [0,1,0,1,0,0|1,0,1]=4 10526 B10R1.127 O=C([O-])COCC1CNC1 34a_100016987283_100020667443 [0,1,0,1,0,0|1,0,1]=4 10527 B10R1.127 O=C([O-])COCC1COC1 34a_100000060846_100020667443 [0,1,0,1,0,0|1,0,1]=4 10528 B10R1.127 O=C([O-])CSCC1CCC1 62a_100000763275_100020667443 [0,1,0,1,0,0|0,0,1]=3 10529 B10R1.127 O=C([O-])CSCC1CCC1 62a_100020667443_100000763275 [0,1,0,1,0,0|0,0,1]=3 10530 B10R1.127 O=C([O-])CSCC1CCO1 62a_100000103362_100020667443 [0,1,0,1,0,0|1,0,1]=4 10531 B10R1.127 O=C([O-])CSCC1CCO1 62a_100020667443_100000103362 [0,1,0,1,0,0|1,0,1]=4 10532 B10R1.127 O=C([O-])CSCC1COC1 62a_100010264016_100020667443 [0,1,0,1,0,0|1,0,1]=4 10533 B10R1.127 O=C([O-])CSCC1COC1 62a_100020667443_100010264016 [0,1,0,1,0,0|1,0,1]=4 10534 B10R1.127 O=[N+]([O-])CNCC1CCC1 34a_100000738700_100000761209 [0,1,0,1,0,0|1,0,1]=4 10535 B10R1.127 O=[N+]([O-])COCC1CCC1 34a_100000760304_100000761209 [0,1,0,1,0,0|1,0,1]=4 10536 B10R1.127 O=[N+]([O-])CSCC1CCC1 62a_100000763275_100000761209 [0,1,0,1,0,0|1,0,1]=4 10537 B10R1.150 CCC(=O)CC1CC(=O)C1 1458a_100000210414_100009874392 [0,1,0,1,0,0|1,0,1]=4 10538 B10R1.150 CCC(C)SC1CC(=O)C1 62a_100009894365_100000758301 [0,1,0,1,0,0|2,0,0]=4 10539 B10R1.150 CCN(C)CC1CC(=O)C1 2230a_100000225621_100009874392 [0,1,0,1,0,0|2,0,0]=4 10540 B10R1.150 CCN(C)CC1CC(=O)C1 269982a_100000225621_100009874392 [0,1,0,1,0,0|2,0,0]=4 10541 B10R1.153 C#CC(=O)CCCC1CO1 1458a_100000211873_100000733510 [0,1,0,1,0,0|2,0,0]=4 10542 B10R1.153 C=CC(=O)CCCC1CO1 1458a_100000185746_100000733510 [0,1,0,1,0,0|2,0,0]=4 10543 B10R1.153 C=CC(=O)NCCC1CC1 1626a_100000764129_100000185746 [0,1,0,1,0,0|2,0,0]=4 10544 B10R1.153 C=CC(=O)NCCC1CC1 240690a_100000764129_200121576911 [0,1,0,1,0,0|2,0,0]=4 10545 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,1,0,1,0,0|2,0,0]=4 10546 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [0,1,0,1,0,0|2,0,0]=4 10547 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [0,1,0,1,0,0|2,0,0]=4 10548 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [0,1,0,1,0,0|2,0,0]=4 10549 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [0,1,0,1,0,0|2,0,0]=4 10550 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [0,1,0,1,0,0|2,0,0]=4 10551 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [0,1,0,1,0,0|2,0,0]=4 10552 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [0,1,0,1,0,0|2,0,0]=4 10553 B10R1.153 CNC(=O)CCNC1CC1 34a_100000212008_100012179268 [0,1,0,1,0,0|2,0,0]=4 10554 B10R1.153 CNC(=O)CCNC1CC1 34a_100000738227_100000211595 [0,1,0,1,0,0|2,0,0]=4 10555 B10R1.153 CNC(=O)CCOC1CC1 34a_100000754576_100000211595 [0,1,0,1,0,0|2,0,0]=4 10556 B10R1.153 CNC(=O)CCSC1CC1 62a_100000737683_100000211595 [0,1,0,1,0,0|2,0,0]=4 10557 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000693194_100000742324 [0,1,0,1,0,0|2,0,0]=4 10558 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000735609_100000183359 [0,1,0,1,0,0|2,0,0]=4 10559 B10R1.153 CNC(=O)CNCC1CC1 269862a_100000693194_100000741477 [0,1,0,1,0,0|2,0,0]=4 10560 B10R1.153 CNC(=O)CNCC1CC1 34a_100000735609_100000183359 [0,1,0,1,0,0|2,0,0]=4 10561 B10R1.153 CNC(=O)COCC1CC1 34a_100000211283_100000183359 [0,1,0,1,0,0|2,0,0]=4 10562 B10R1.153 CNC(=O)COCC1CC1 34a_100000750040_100000742324 [0,1,0,1,0,0|2,0,0]=4 10563 B10R1.153 CNC(=O)CSCC1CC1 11a_106832991635_200011316215 [0,1,0,1,0,0|2,0,0]=4 10564 B10R1.153 CNC(=O)CSCC1CC1 1626a_100102657272_200011316215 [0,1,0,1,0,0|2,0,0]=4 10565 B10R1.153 CNC(=O)CSCC1CC1 240690a_100102657272_200011316215 [0,1,0,1,0,0|2,0,0]=4 10566 B10R1.153 CNC(=O)CSCC1CC1 527a_100102657272_200011316215 [0,1,0,1,0,0|2,0,0]=4 10567 B10R1.153 CNC(=O)CSCC1CC1 62a_100000183359_100000742324 [0,1,0,1,0,0|2,0,0]=4 10568 B10R1.153 CNC(=O)CSCC1CC1 62a_100000756562_100000183359 [0,1,0,1,0,0|2,0,0]=4 10569 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [0,1,0,1,0,0|2,0,0]=4 10570 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [0,1,0,1,0,0|2,0,0]=4 10571 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [0,1,0,1,0,0|2,0,0]=4 10572 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [0,1,0,1,0,0|2,0,0]=4 10573 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [0,1,0,1,0,0|2,0,0]=4 10574 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [0,1,0,1,0,0|2,0,0]=4 10575 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [0,1,0,1,0,0|1,0,0]=3 10576 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [0,1,0,1,0,0|1,0,0]=3 10577 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [0,1,0,1,0,0|1,0,0]=3 10578 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [0,1,0,1,0,0|1,0,0]=3 10579 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [0,1,0,1,0,0|1,0,0]=3 10580 B10R1.153 COC(=O)COC[C@@H]1CO1 34a_100000757423_100000747449 [0,1,0,1,0,0|2,0,0]=4 10581 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [0,1,0,1,0,0|1,0,0]=3 10582 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [0,1,0,1,0,0|1,0,0]=3 10583 B10R1.153 COC(=O)CSCC1CO1 62a_100000747449_102125554688 [0,1,0,1,0,0|2,0,0]=4 10584 B10R1.153 COC(=O)CSCC1CO1 62a_102125554688_100000747449 [0,1,0,1,0,0|2,0,0]=4 10585 B10R1.153 COC(=O)CSCC1CS1 62a_100000031435_100000747449 [0,1,0,1,0,0|2,0,0]=4 10586 B10R1.153 COC(=O)CSCC1CS1 62a_100000747449_100000031435 [0,1,0,1,0,0|2,0,0]=4 10587 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747449 [0,1,0,1,0,0|2,0,0]=4 10588 B10R1.153 COC(=O)CSC[C@@H]1CO1 62a_100000747449_100000745022 [0,1,0,1,0,0|2,0,0]=4 10589 B10R1.153 NC(=NO)CCOC1CC1 34a_100000749954_100000211595 [0,1,0,1,0,0|2,0,0]=4 10590 B10R1.153 O=C(CF)CSCC1CC1 1458a_200011316215_100015361967 [0,1,0,1,0,0|2,0,0]=4 10591 B10R1.153 O=C(CO)CC#CC1CC1 1458a_100000210174_100009895102 [0,1,0,1,0,0|0,0,2]=4 10592 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [0,1,0,1,0,0|1,0,0]=3 10593 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [0,1,0,1,0,0|1,0,0]=3 10594 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [0,1,0,1,0,0|1,0,0]=3 10595 B10R1.153 O=C(CO)NNCC1CC1 22a_100000736359_100000210174 [0,1,0,1,0,0|2,0,0]=4 10596 B10R1.168 CCC1CN(C1)CC(=O)N 2230a_100015205115_100000747473 [0,1,0,1,0,0|2,0,0]=4 10597 B10R1.168 CCC1CN(C1)CC(=O)N 269982a_100015205115_100000187820 [0,1,0,1,0,0|2,0,0]=4 10598 B10R1.168 CCC1CN(C1)CC(=O)[O-] 269982a_100015205115_100020667443 [0,1,0,1,0,0|1,0,1]=4 10599 B10R1.168 CCN1CC(C1)CC(=O)O 269956a_100016993960_100000210202 [0,1,0,1,0,0|1,0,0]=3 10600 B10R1.168 O=C(O)CC1CN(C1)CF 269956a_100016993960_100015361967 [0,1,0,1,0,0|2,0,0]=4 10601 B10R1.206 COC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747449 [0,1,0,1,0,0|2,0,0]=4 10602 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747449 [0,1,0,1,0,0|2,0,0]=4 10603 B10R1.206 COC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000747449 [0,1,0,1,0,0|2,0,0]=4 10604 B10R1.350 CC(=O)CCOC1(CC1)C 7a_100011725673_100000053229 [0,1,0,1,0,0|2,0,0]=4 10605 B10R1.350 CC1(CC1)CNCC(=O)N 2230a_100000766693_100000747473 [0,1,0,1,0,0|2,0,0]=4 10606 B10R1.350 CC1(CC1)COCC(=O)N 7a_100000698024_100000187820 [0,1,0,1,0,0|2,0,0]=4 10607 B10R1.350 CC1(CC1)NCCC(=O)N 2230a_100000757604_100000744528 [0,1,0,1,0,0|2,0,0]=4 10608 B10R1.350 CC1(CC1)OCCC(=O)N 7a_100011725673_100000744528 [0,1,0,1,0,0|2,0,0]=4 10609 B10R1.350 CC1(CO1)CNCC(=O)O 269956a_100016091260_100000760498 [0,1,0,1,0,0|2,0,0]=4 10610 B10R1.350 NC(=O)CNCC1(CC1)O 2230a_100011936951_100000747473 [0,1,0,1,0,0|2,0,0]=4 10611 B10R1.350 NC(=O)COCC1(CC1)F 34a_200000703853_100000187820 [0,1,0,1,0,0|2,0,0]=4 10612 B10R1.350 NC(=O)COCC1(CC1)F 7a_200000703853_100000187820 [0,1,0,1,0,0|2,0,0]=4 10613 B10R1.350 O=C([O-])COCC1(CC1)F 34a_200000703853_100020667443 [0,1,0,1,0,0|1,0,1]=4 10614 B10R1.10 CCCN1CCCC(C1)O 2230a_100000211013_100000210303 [0,1,0,1,0,0|1,0,1]=4 10615 B10R1.10 CCCN1CCCC(C1)O 269982a_100000211013_100000210303 [0,1,0,1,0,0|1,0,1]=4 10616 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,1,0,1,0,0|2,0,0]=4 10617 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,1,0,1,0,0|2,0,0]=4 10618 B10R1.10 CCNC1CCCC(C1)O 2230a_100015190357_100000210202 [0,1,0,1,0,0|1,0,1]=4 10619 B10R1.10 CCNC1CCCC(C1)O 270004a_100015525214_100012613340 [0,1,0,1,0,0|1,0,1]=4 10620 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,1,0,1,0,0|2,0,0]=4 10621 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,1,0,1,0,0|2,0,0]=4 10622 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [0,1,0,1,0,0|2,0,0]=4 10623 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,1,0,1,0,0|1,0,0]=3 10624 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,1,0,1,0,0|2,0,0]=4 10625 B10R1.10 CNCC1CCCC(C1)O 2230a_100011254705_200000210301 [0,1,0,1,0,0|1,0,1]=4 10626 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,1,0,1,0,0|1,0,0]=3 10627 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,1,0,1,0,0|2,0,0]=4 10628 B10R1.10 COCC1COCC(=O)N1 34a_200000101122_200000210301 [0,1,0,1,0,0|2,0,0]=4 10629 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,1,0,1,0,0|2,0,0]=4 10630 B10R1.10 [13CH3]NCC1CCCC(C1)O 2230a_100011254705_200025704644 [0,1,0,1,0,0|1,0,1]=4 10631 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,1,0,1,0,0|1,0,0]=3 10632 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,1,0,1,0,0|2,0,0]=4 10633 B10R1.10 [13CH3]OCC1COCC(=O)N1 34a_200000101122_200025704644 [0,1,0,1,0,0|2,0,0]=4 10634 B10R1.16 CCCCN1CCC(C1)O 2230a_100011215560_100000210211 [0,1,0,1,0,0|1,0,1]=4 10635 B10R1.16 CCCCN1CCC(C1)O 269982a_100011215560_100000210211 [0,1,0,1,0,0|1,0,1]=4 10636 B10R1.16 CCCCN1CNC(=O)C1 2230a_200000708111_100000210211 [0,1,0,1,0,0|2,0,0]=4 10637 B10R1.16 CCCNC1CCC(C1)O 270004a_100020643023_100012614533 [0,1,0,1,0,0|1,0,1]=4 10638 B10R1.16 CCCNC1CNC(=O)C1 2230a_100000697751_100000210303 [0,1,0,1,0,0|2,0,0]=4 10639 B10R1.16 CCCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210303 [0,1,0,1,0,0|1,0,1]=4 10640 B10R1.16 CCCOC1CCC(=O)C1 34a_100012614533_100000210303 [0,1,0,1,0,0|1,0,0]=3 10641 B10R1.16 CCCOC1CNC(=O)C1 34a_100000690082_100000210303 [0,1,0,1,0,0|2,0,0]=4 10642 B10R1.16 CCCOC1COC(=O)O1 34a_100000210258_100000032252 [0,1,0,1,0,0|1,0,0]=3 10643 B10R1.16 CCCSC1COC(=O)O1 62a_100000210303_100000032252 [0,1,0,1,0,0|1,0,0]=3 10644 B10R1.16 CCNCC1CNC(=O)C1 2230a_100016993742_100000210202 [0,1,0,1,0,0|2,0,0]=4 10645 B10R1.16 CCNCC1CNC(=O)C1 34a_100016993742_100000210202 [0,1,0,1,0,0|2,0,0]=4 10646 B10R1.16 CCNCC1CNC(=O)O1 2230a_100015525214_100000181169 [0,1,0,1,0,0|1,0,0]=3 10647 B10R1.16 CCNC[C@@H]1CCC(=O)N1 2230a_100015525214_100015189358 [0,1,0,1,0,0|1,0,0]=3 10648 B10R1.16 CCNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210202 [0,1,0,1,0,0|1,0,0]=3 10649 B10R1.16 CCNC[C@H]1CCC(=O)N1 34a_100015423886_100000210202 [0,1,0,1,0,0|1,0,0]=3 10650 B10R1.16 CCNC[C@H]1COC(=O)N1 2230a_100015525214_100015307671 [0,1,0,1,0,0|2,0,0]=4 10651 B10R1.16 CCOCC1CCC(=O)N1 34a_100000737831_100000210202 [0,1,0,1,0,0|1,0,0]=3 10652 B10R1.16 CCOCC1CNC(=O)C1 34a_100016041077_100000210202 [0,1,0,1,0,0|2,0,0]=4 10653 B10R1.16 CCOCC1CNC(=O)O1 34a_100011315639_100000210202 [0,1,0,1,0,0|1,0,0]=3 10654 B10R1.16 CCOCC1CNC(=O)O1 34a_100121572206_100000181169 [0,1,0,1,0,0|1,0,0]=3 10655 B10R1.16 CCOCC1COC(=O)O1 34a_100121572206_100000073702 [0,1,0,1,0,0|1,0,0]=3 10656 B10R1.16 CCOC[C@H]1COC(=O)N1 34a_100121572206_100015307671 [0,1,0,1,0,0|2,0,0]=4 10657 B10R1.16 CCSCC1CNC(=O)O1 62a_100000181169_100000210202 [0,1,0,1,0,0|1,0,0]=3 10658 B10R1.16 CCSCC1CNC(=O)O1 62a_100000210202_100000181169 [0,1,0,1,0,0|1,0,0]=3 10659 B10R1.16 CCSCC1COC(=O)O1 62a_100000073702_100000210202 [0,1,0,1,0,0|1,0,0]=3 10660 B10R1.16 CCSCC1COC(=O)O1 62a_100000210202_100000073702 [0,1,0,1,0,0|1,0,0]=3 10661 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100000210202_100015189358 [0,1,0,1,0,0|1,0,0]=3 10662 B10R1.16 CCSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210202 [0,1,0,1,0,0|1,0,0]=3 10663 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100000210202_100015307671 [0,1,0,1,0,0|2,0,0]=4 10664 B10R1.16 CCSC[C@H]1COC(=O)N1 62a_100015307671_100000210202 [0,1,0,1,0,0|2,0,0]=4 10665 B10R1.16 CNCCC1COS(=O)O1 7a_106832991635_100009840081 [0,1,0,1,0,0|2,0,0]=4 10666 B10R1.16 COCSC1COC(=O)O1 62a_100000766300_100000032252 [0,1,0,1,0,0|2,0,0]=4 10667 B10R1.16 CSCCC1COS(=O)O1 62a_200000210301_100009840081 [0,1,0,1,0,0|2,0,0]=4 10668 B10R1.16 CSCOC1CCC(=O)C1 34a_100012614533_100011218213 [0,1,0,1,0,0|2,0,0]=4 10669 B10R1.16 CSCSC1COC(=O)O1 62a_100011218213_100000032252 [0,1,0,1,0,0|2,0,0]=4 10670 B10R1.16 NCCOC1COC(=O)O1 34a_100000210304_100000032252 [0,1,0,1,0,0|2,0,0]=4 10671 B10R1.16 O=C1CCC(C1)OCCF 34a_100012614533_100011217306 [0,1,0,1,0,0|2,0,0]=4 10672 B10R1.16 O=C1CCC(C1)OCCO 34a_100012614533_100000211926 [0,1,0,1,0,0|2,0,0]=4 10673 B10R1.16 O=C1CCC(N1)COCF 34a_100000737831_100015361967 [0,1,0,1,0,0|2,0,0]=4 10674 B10R1.16 O=C1CC[C@@H](N1)CNCF 34a_100015423886_100015361967 [0,1,0,1,0,0|2,0,0]=4 10675 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015189358_100015361967 [0,1,0,1,0,0|2,0,0]=4 10676 B10R1.16 O=C1CC[C@H](N1)CSCF 62a_100015361967_100015189358 [0,1,0,1,0,0|2,0,0]=4 10677 B10R1.16 O=C1NCC(O1)COCF 34a_100011315639_100015361967 [0,1,0,1,0,0|2,0,0]=4 10678 B10R1.16 O=C1NCC(O1)CSCF 62a_100000181169_100015361967 [0,1,0,1,0,0|2,0,0]=4 10679 B10R1.16 O=C1NCC(O1)CSCF 62a_100015361967_100000181169 [0,1,0,1,0,0|2,0,0]=4 10680 B10R1.16 O=C1OCC(O1)CSCF 62a_100000073702_100015361967 [0,1,0,1,0,0|2,0,0]=4 10681 B10R1.16 O=C1OCC(O1)CSCF 62a_100015361967_100000073702 [0,1,0,1,0,0|2,0,0]=4 10682 B10R1.16 O=C1OCC(O1)NCCF 34a_100000724931_100000032252 [0,1,0,1,0,0|2,0,0]=4 10683 B10R1.16 O=C1OCC(O1)NCCO 34a_100016990907_100000032252 [0,1,0,1,0,0|2,0,0]=4 10684 B10R1.16 O=C1OCC(O1)OCCBr 34a_100000211926_100000032252 [0,1,0,1,0,0|2,0,0]=4 10685 B10R1.16 O=C1OCC(O1)SCCF 62a_100011217306_100000032252 [0,1,0,1,0,0|2,0,0]=4 10686 B10R1.16 O=C1OCC(O1)SCCO 62a_100000211926_100000032252 [0,1,0,1,0,0|2,0,0]=4 10687 B10R1.16 [13CH3]SCCC1COS(=O)O1 62a_200025704644_100009840081 [0,1,0,1,0,0|2,0,0]=4 10688 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,1,0,1,0,0|1,0,1]=4 10689 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,1,0,1,0,0|1,0,1]=4 10690 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,1,0,1,0,0|1,0,0]=3 10691 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,1,0,1,0,0|1,0,0]=3 10692 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,1,0,1,0,0|1,0,0]=3 10693 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,1,0,1,0,0|1,0,0]=3 10694 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [0,1,0,1,0,0|1,0,0]=3 10695 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [0,1,0,1,0,0|1,0,0]=3 10696 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [0,1,0,1,0,0|1,0,0]=3 10697 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [0,1,0,1,0,0|1,0,0]=3 10698 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,1,0,1,0,0|1,0,0]=3 10699 B10R1.18 CC(=O)CN1CCOCC1 1458a_100000740321_200000210301 [0,1,0,1,0,0|2,0,0]=4 10700 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,1,0,1,0,0|1,0,0]=3 10701 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,1,0,1,0,0|1,0,0]=3 10702 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,1,0,1,0,0|1,0,0]=3 10703 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,1,0,1,0,0|1,0,0]=3 10704 B10R1.18 CC(=O)NC1CCCOC1 11a_100000719290_100015343762 [0,1,0,1,0,0|2,0,0]=4 10705 B10R1.18 CC(=O)NC1CCCOC1 1626a_100000719290_100015343762 [0,1,0,1,0,0|2,0,0]=4 10706 B10R1.18 CC(=O)NC1CCCOC1 240690a_100000719290_100015343762 [0,1,0,1,0,0|2,0,0]=4 10707 B10R1.18 CC(=O)NC1CCCOC1 527a_100000719290_100103153847 [0,1,0,1,0,0|2,0,0]=4 10708 B10R1.18 CC(=O)NC1CCOCC1 11a_100000741149_100015343762 [0,1,0,1,0,0|2,0,0]=4 10709 B10R1.18 CC(=O)NC1CCOCC1 1626a_100000741149_100015343762 [0,1,0,1,0,0|2,0,0]=4 10710 B10R1.18 CC(=O)NC1CCOCC1 240690a_100000741149_100015343762 [0,1,0,1,0,0|2,0,0]=4 10711 B10R1.18 CC(=O)NC1CCOCC1 527a_100000741149_100103153847 [0,1,0,1,0,0|2,0,0]=4 10712 B10R1.18 CC(=O)NC1CCSCC1 11a_100000748639_100015343762 [0,1,0,1,0,0|2,0,0]=4 10713 B10R1.18 CC(=O)NC1CCSCC1 1626a_100000748639_100015343762 [0,1,0,1,0,0|2,0,0]=4 10714 B10R1.18 CC(=O)NC1CCSCC1 240690a_100000748639_100015343762 [0,1,0,1,0,0|2,0,0]=4 10715 B10R1.18 CC(=O)NC1CCSCC1 527a_100000748639_100103153847 [0,1,0,1,0,0|2,0,0]=4 10716 B10R1.18 NC(=O)CN1CCCOC1 2230a_100000131196_100000747473 [0,1,0,1,0,0|2,0,0]=4 10717 B10R1.18 NC(=O)CN1CCCOC1 269982a_100000131196_100000187820 [0,1,0,1,0,0|2,0,0]=4 10718 B10R1.18 NC(=O)CN1CCCOC1 34a_100000131196_100000187820 [0,1,0,1,0,0|2,0,0]=4 10719 B10R1.18 NC(=O)CN1CCOCC1 2230a_100015191051_100000747473 [0,1,0,1,0,0|2,0,0]=4 10720 B10R1.18 NC(=O)CN1CCOCC1 269982a_100015191051_100000187820 [0,1,0,1,0,0|2,0,0]=4 10721 B10R1.18 NC(=O)CN1CCOCC1 34a_100015191051_100000187820 [0,1,0,1,0,0|2,0,0]=4 10722 B10R1.18 NC(=O)CN1CCSCC1 2230a_100000737611_100000747473 [0,1,0,1,0,0|2,0,0]=4 10723 B10R1.18 NC(=O)CN1CCSCC1 269982a_100000737611_100000187820 [0,1,0,1,0,0|2,0,0]=4 10724 B10R1.18 O=C([O-])CN1CCCOC1 269982a_100000131196_100020667443 [0,1,0,1,0,0|1,0,1]=4 10725 B10R1.18 O=C([O-])CN1CCCOC1 34a_100000131196_100020667443 [0,1,0,1,0,0|1,0,1]=4 10726 B10R1.18 O=C([O-])CN1CCOCC1 269982a_100015191051_100020667443 [0,1,0,1,0,0|1,0,1]=4 10727 B10R1.18 O=C([O-])CN1CCOCC1 34a_100015191051_100020667443 [0,1,0,1,0,0|1,0,1]=4 10728 B10R1.18 O=C([O-])CN1CCSCC1 269982a_100000737611_100020667443 [0,1,0,1,0,0|1,0,1]=4 10729 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,1,0,1,0,0|1,0,1]=4 10730 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,1,0,1,0,0|1,0,1]=4 10731 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,1,0,1,0,0|1,0,0]=3 10732 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,1,0,1,0,0|1,0,0]=3 10733 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [0,1,0,1,0,0|1,0,0]=3 10734 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [0,1,0,1,0,0|1,0,0]=3 10735 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,1,0,1,0,0|1,0,0]=3 10736 B10R1.18 [13CH3]C(=O)CN1CCOCC1 1458a_100000740321_200025704644 [0,1,0,1,0,0|2,0,0]=4 10737 B10R1.24 C=C1CC(C1)CNCCC 2230a_100102567296_100000210303 [0,1,0,1,0,0|2,0,0]=4 10738 B10R1.24 C=C1CC(C1)CNCCC 34a_100102567296_100000210303 [0,1,0,1,0,0|2,0,0]=4 10739 B10R1.24 C=C1CC(C1)COCCC 34a_100011011225_100000210303 [0,1,0,1,0,0|2,0,0]=4 10740 B10R1.24 C=C1CC(C1)NCCCC 2230a_100132301982_100000210211 [0,1,0,1,0,0|2,0,0]=4 10741 B10R1.24 CCCCCN1CC(C1)O 269982a_100000749847_100000210215 [0,1,0,1,0,0|1,0,1]=4 10742 B10R1.24 CCCCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210211 [0,1,0,1,0,0|1,0,1]=4 10743 B10R1.24 CCCCSC1CC(=O)C1 62a_100009894365_100000210210 [0,1,0,1,0,0|1,0,0]=3 10744 B10R1.24 CCCNCC1CC(C1)O 2230a_100016992100_100000210303 [0,1,0,1,0,0|1,0,1]=4 10745 B10R1.24 CCCOCC1CC(=O)C1 34a_100000101936_100000210303 [0,1,0,1,0,0|1,0,0]=3 10746 B10R1.24 CCCSCC1CC(=O)C1 62a_100000210303_100009874392 [0,1,0,1,0,0|1,0,0]=3 10747 B10R1.24 CCCSCC1CC(=O)C1 62a_100009874392_100000210303 [0,1,0,1,0,0|1,0,0]=3 10748 B10R1.24 CCOCSC1CC(=O)C1 62a_100009894365_100000739092 [0,1,0,1,0,0|2,0,0]=4 10749 B10R1.24 COCCSC1CC(=O)C1 62a_100009894365_100000233755 [0,1,0,1,0,0|2,0,0]=4 10750 B10R1.24 COCSCC1CC(=O)C1 62a_100000766300_100009874392 [0,1,0,1,0,0|2,0,0]=4 10751 B10R1.24 COCSCC1CC(=O)C1 62a_100009874392_100000766300 [0,1,0,1,0,0|2,0,0]=4 10752 B10R1.24 CSCCSC1CC(=O)C1 62a_100009894365_100000751147 [0,1,0,1,0,0|2,0,0]=4 10753 B10R1.24 CSCOCC1CC(=O)C1 34a_100000101936_100011218213 [0,1,0,1,0,0|2,0,0]=4 10754 B10R1.24 CSCSCC1CC(=O)C1 62a_100009874392_100011218213 [0,1,0,1,0,0|2,0,0]=4 10755 B10R1.24 CSCSCC1CC(=O)C1 62a_100011218213_100009874392 [0,1,0,1,0,0|2,0,0]=4 10756 B10R1.24 O=C1CC(C1)CNCCO 2230a_100016997473_100009874392 [0,1,0,1,0,0|2,0,0]=4 10757 B10R1.24 O=C1CC(C1)COCCF 34a_100000101936_100011217306 [0,1,0,1,0,0|2,0,0]=4 10758 B10R1.24 O=C1CC(C1)COCCO 34a_100000101936_100000211926 [0,1,0,1,0,0|2,0,0]=4 10759 B10R1.24 O=C1CC(C1)CSCCF 62a_100009874392_100011217306 [0,1,0,1,0,0|2,0,0]=4 10760 B10R1.24 O=C1CC(C1)CSCCF 62a_100011217306_100009874392 [0,1,0,1,0,0|2,0,0]=4 10761 B10R1.24 O=C1CC(C1)CSCCO 62a_100000211926_100009874392 [0,1,0,1,0,0|2,0,0]=4 10762 B10R1.24 O=C1CC(C1)CSCCO 62a_100009874392_100000211926 [0,1,0,1,0,0|2,0,0]=4 10763 B10R1.24 O=C1CC(C1)SCCCF 62a_100009894365_100011934791 [0,1,0,1,0,0|2,0,0]=4 10764 B10R1.24 O=C1CC(C1)SCCCO 62a_100009894365_100011215043 [0,1,0,1,0,0|2,0,0]=4 10765 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [0,1,0,1,0,0|2,0,0]=4 10766 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [0,1,0,1,0,0|2,0,0]=4 10767 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,1,0,1,0,0|1,0,0]=3 10768 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,1,0,1,0,0|1,0,0]=3 10769 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,1,0,1,0,0|1,0,0]=3 10770 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,1,0,1,0,0|1,0,0]=3 10771 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [0,1,0,1,0,0|0,0,2]=4 10772 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,1,0,1,0,0|1,0,0]=3 10773 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,1,0,1,0,0|1,0,0]=3 10774 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [0,1,0,1,0,0|1,0,0]=3 10775 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,1,0,1,0,0|0,0,0]=2 10776 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [0,1,0,1,0,0|1,0,0]=3 10777 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [0,1,0,1,0,0|1,0,0]=3 10778 B10R1.39 O=C(O)C1SCCN1CF 269956a_100000035718_100015361967 [0,1,0,1,0,0|2,0,0]=4 10779 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [0,1,0,1,0,0|1,0,0]=3 10780 B10R1.39 O=C(O)[C@@H]1CSCN1CF 269956a_100000743924_100015361967 [0,1,0,1,0,0|2,0,0]=4 10781 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,1,0,0|1,0,1]=4 10782 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,1,0,1,0,0|1,0,0]=3 10783 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,1,0,1,0,0|1,0,0]=3 10784 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,1,0,1,0,0|1,0,0]=3 10785 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,1,0,1,0,0|1,0,0]=3 10786 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,1,0,1,0,0|1,0,0]=3 10787 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,1,0,1,0,0|1,0,0]=3 10788 B10R1.61 CC(=O)N1CCOC[C@@H]1C 11a_100009815349_100015343762 [0,1,0,1,0,0|2,0,0]=4 10789 B10R1.61 CC(=O)N1CCOC[C@@H]1C 240690a_100009815349_100015343762 [0,1,0,1,0,0|2,0,0]=4 10790 B10R1.61 CC(=O)N1CCOC[C@@H]1C 527a_100009815349_100103153847 [0,1,0,1,0,0|2,0,0]=4 10791 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,1,0,1,0,0|1,0,0]=3 10792 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,1,0,1,0,0|1,0,0]=3 10793 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,1,0,1,0,0|1,0,0]=3 10794 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,1,0,1,0,0|1,0,0]=3 10795 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,1,0,1,0,0|1,0,0]=3 10796 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,1,0,1,0,0|0,0,0]=2 10797 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,1,0,1,0,0|1,0,0]=3 10798 B10R1.61 CN1CCOC[C@@H]1C(=O)O 269956a_100016993156_200000210301 [0,1,0,1,0,0|1,0,0]=3 10799 B10R1.61 CN1CCSCC1C(=O)O 269956a_100011346106_200000210301 [0,1,0,1,0,0|1,0,0]=3 10800 B10R1.61 CN1CSCCC1C(=O)O 269956a_100015185162_200000210301 [0,1,0,1,0,0|1,0,0]=3 10801 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,1,0,1,0,0|1,0,0]=3 10802 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,1,0,1,0,0|1,0,0]=3 10803 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,1,0,1,0,0|1,0,0]=3 10804 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,1,0,1,0,0|1,0,0]=3 10805 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,1,0,1,0,0|0,0,0]=2 10806 B10R1.61 [13CH3]N1CCOC[C@@H]1C(=O)O 269956a_100016993156_200025704644 [0,1,0,1,0,0|1,0,0]=3 10807 B10R1.61 [13CH3]N1CCSCC1C(=O)O 269956a_100011346106_200025704644 [0,1,0,1,0,0|1,0,0]=3 10808 B10R1.61 [13CH3]N1CSCCC1C(=O)O 269956a_100015185162_200025704644 [0,1,0,1,0,0|1,0,0]=3 10809 B10R1.64 C=C(C)CN1CCC[C@@H]1C 2230a_100020605311_100000748629 [0,1,0,1,0,0|2,0,0]=4 10810 B10R1.64 C=C(C)CN1CCC[C@@H]1C 269982a_100020605311_100000748629 [0,1,0,1,0,0|2,0,0]=4 10811 B10R1.64 C=C(C)CN1CCC[C@H]1C 2230a_100015189458_100000748629 [0,1,0,1,0,0|2,0,0]=4 10812 B10R1.64 C=C(C)CN1CCC[C@H]1C 269982a_100015189458_100000748629 [0,1,0,1,0,0|2,0,0]=4 10813 B10R1.64 C=C(C)CN1CCC[C@H]1C 34a_100015189458_100000748629 [0,1,0,1,0,0|2,0,0]=4 10814 B10R1.64 C=C(F)CN1CCC[C@@H]1C 2230a_100020605311_100009893438 [0,1,0,1,0,0|2,0,0]=4 10815 B10R1.64 C=C(F)CN1CCC[C@@H]1C 269982a_100020605311_100009893438 [0,1,0,1,0,0|2,0,0]=4 10816 B10R1.64 C=C(F)CN1CCC[C@H]1C 2230a_100015189458_100009893438 [0,1,0,1,0,0|2,0,0]=4 10817 B10R1.64 C=C(F)CN1CCC[C@H]1C 269982a_100015189458_100009893438 [0,1,0,1,0,0|2,0,0]=4 10818 B10R1.64 C=C(F)CN1CCC[C@H]1C 34a_100015189458_100009893438 [0,1,0,1,0,0|2,0,0]=4 10819 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 11a_100000748460_100015343762 [0,1,0,1,0,0|2,0,0]=4 10820 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O 240690a_100000748460_100015343762 [0,1,0,1,0,0|2,0,0]=4 10821 B10R1.64 CC(O)CN1CCC[C@@H]1C 2230a_100020605311_100011218427 [0,1,0,1,0,0|1,0,1]=4 10822 B10R1.64 CC(O)CN1CCC[C@@H]1C 269982a_100020605311_100011218427 [0,1,0,1,0,0|1,0,1]=4 10823 B10R1.64 CC(O)CN1CCC[C@H]1C 2230a_100015189458_100011218427 [0,1,0,1,0,0|1,0,1]=4 10824 B10R1.64 CC(O)CN1CCC[C@H]1C 269982a_100015189458_100011218427 [0,1,0,1,0,0|1,0,1]=4 10825 B10R1.64 CC(O)CN1CCC[C@H]1C 34a_100015189458_100011218427 [0,1,0,1,0,0|1,0,1]=4 10826 B10R1.64 CC1SCCN1CC(=O)N 2230a_200011216479_100000747473 [0,1,0,1,0,0|2,0,0]=4 10827 B10R1.64 CC1SCCN1CC(=O)N 269982a_200011216479_100000187820 [0,1,0,1,0,0|2,0,0]=4 10828 B10R1.64 CC1SCCN1CC(=O)N 34a_200011216479_100000187820 [0,1,0,1,0,0|2,0,0]=4 10829 B10R1.64 CC1SCCN1CC(=O)[O-] 269982a_200011216479_100020667443 [0,1,0,1,0,0|1,0,1]=4 10830 B10R1.64 CC1SCCN1CC(=O)[O-] 34a_200011216479_100020667443 [0,1,0,1,0,0|1,0,1]=4 10831 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 2230a_100020605311_100009817552 [0,1,0,1,0,0|1,0,1]=4 10832 B10R1.64 C[C@@H](O)CN1CCC[C@@H]1C 269982a_100020605311_100009817552 [0,1,0,1,0,0|1,0,1]=4 10833 B10R1.64 C[C@@H]1CCCN1CC(=O)N 2230a_100015189458_100000747473 [0,1,0,1,0,0|1,0,0]=3 10834 B10R1.64 C[C@@H]1CCCN1CC(=O)N 269982a_100015189458_100000187820 [0,1,0,1,0,0|1,0,0]=3 10835 B10R1.64 C[C@@H]1CCCN1CC(=O)N 34a_100015189458_100000187820 [0,1,0,1,0,0|1,0,0]=3 10836 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 269982a_100015189458_100020667443 [0,1,0,1,0,0|0,0,1]=3 10837 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 34a_100015189458_100020667443 [0,1,0,1,0,0|0,0,1]=3 10838 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 2230a_100015189458_100009817552 [0,1,0,1,0,0|1,0,1]=4 10839 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 269982a_100015189458_100009817552 [0,1,0,1,0,0|1,0,1]=4 10840 B10R1.64 C[C@@H]1CCCN1C[C@@H](C)O 34a_100015189458_100009817552 [0,1,0,1,0,0|1,0,1]=4 10841 B10R1.64 C[C@@H]1CCCN1C[N+](=O)[O-] 269982a_100015189458_100000761209 [0,1,0,1,0,0|1,0,1]=4 10842 B10R1.64 C[C@@H]1CCCN1C[N+](=O)[O-] 34a_100015189458_100000761209 [0,1,0,1,0,0|1,0,1]=4 10843 B10R1.64 C[C@H]1CCCN1CC(=O)N 2230a_100020605311_100000747473 [0,1,0,1,0,0|1,0,0]=3 10844 B10R1.64 C[C@H]1CCCN1CC(=O)N 269982a_100020605311_100000187820 [0,1,0,1,0,0|1,0,0]=3 10845 B10R1.64 C[C@H]1CCCN1CC(=O)[O-] 269982a_100020605311_100020667443 [0,1,0,1,0,0|0,0,1]=3 10846 B10R1.64 C[C@H]1CCCN1C[N+](=O)[O-] 269982a_100020605311_100000761209 [0,1,0,1,0,0|1,0,1]=4 10847 B10R1.66 C=C(C)CCN1CCCC1 2230a_100000188435_100000730704 [0,1,0,1,0,0|2,0,0]=4 10848 B10R1.66 C=C(C)CCN1CCCC1 269982a_100000188435_100000730704 [0,1,0,1,0,0|2,0,0]=4 10849 B10R1.66 C=C(C)CNC1CCCC1 2230a_100000211070_100000748629 [0,1,0,1,0,0|2,0,0]=4 10850 B10R1.66 C=C(C)CNC1CCCC1 34a_100000211070_100000748629 [0,1,0,1,0,0|2,0,0]=4 10851 B10R1.66 C=C(C)COC1CCCC1 34a_100000210245_100000179811 [0,1,0,1,0,0|2,0,0]=4 10852 B10R1.66 C=C(C)COC1CCCC1 34a_100000210269_100000748629 [0,1,0,1,0,0|2,0,0]=4 10853 B10R1.66 C=C(C)COC1CCCC1 7a_100000210269_100000748629 [0,1,0,1,0,0|2,0,0]=4 10854 B10R1.66 C=C(C)CSC1CCCC1 62a_100000748629_100000179811 [0,1,0,1,0,0|2,0,0]=4 10855 B10R1.66 C=C(C)CSC1CCCC1 62a_100011217020_100000211660 [0,1,0,1,0,0|2,0,0]=4 10856 B10R1.66 C=C(F)CNC1CCCC1 2230a_100000211070_100009893438 [0,1,0,1,0,0|2,0,0]=4 10857 B10R1.66 C=C(F)CNC1CCCC1 34a_100000211070_100009893438 [0,1,0,1,0,0|2,0,0]=4 10858 B10R1.66 C=C(F)COC1CCCC1 34a_100000210269_100009893438 [0,1,0,1,0,0|2,0,0]=4 10859 B10R1.66 C=C(F)COC1CCCC1 34a_200010262243_100000179811 [0,1,0,1,0,0|2,0,0]=4 10860 B10R1.66 C=C(F)COC1CCCC1 7a_100000210269_100000042424 [0,1,0,1,0,0|2,0,0]=4 10861 B10R1.66 C=C(F)CSC1CCCC1 62a_100000042424_100000179811 [0,1,0,1,0,0|2,0,0]=4 10862 B10R1.66 C=C(F)CSC1CCCC1 62a_100011217020_100000042424 [0,1,0,1,0,0|2,0,0]=4 10863 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [0,1,0,1,0,0|1,0,0]=3 10864 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [0,1,0,1,0,0|1,0,0]=3 10865 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [0,1,0,1,0,0|1,0,0]=3 10866 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000070787_100000740749 [0,1,0,1,0,0|2,0,0]=4 10867 B10R1.66 CC(=O)CCC1OCCO1 1458a_100000082924_200000210301 [0,1,0,1,0,0|2,0,0]=4 10868 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [0,1,0,1,0,0|1,0,0]=3 10869 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [0,1,0,1,0,0|1,0,0]=3 10870 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [0,1,0,1,0,0|1,0,0]=3 10871 B10R1.66 CC(=O)CCN1CCCO1 1458a_200015187630_200000210301 [0,1,0,1,0,0|2,0,0]=4 10872 B10R1.66 CC(=O)CCN1CCSC1 269982a_100011215254_100000053229 [0,1,0,1,0,0|2,0,0]=4 10873 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,1,0,1,0,0|1,0,0]=3 10874 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,1,0,1,0,0|1,0,0]=3 10875 B10R1.66 CC(=O)COC1CCOC1 34a_100000211253_100000690089 [0,1,0,1,0,0|2,0,0]=4 10876 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [0,1,0,1,0,0|1,0,0]=3 10877 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [0,1,0,1,0,0|1,0,0]=3 10878 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [0,1,0,1,0,0|1,0,0]=3 10879 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [0,1,0,1,0,0|1,0,0]=3 10880 B10R1.66 CC(=O)NCC1CCOC1 11a_100000737293_100015343762 [0,1,0,1,0,0|2,0,0]=4 10881 B10R1.66 CC(=O)NCC1CCOC1 1626a_100000737293_100015343762 [0,1,0,1,0,0|2,0,0]=4 10882 B10R1.66 CC(=O)NCC1CCOC1 240690a_100000737293_100015343762 [0,1,0,1,0,0|2,0,0]=4 10883 B10R1.66 CC(=O)NCC1CCOC1 527a_100000737293_100103153847 [0,1,0,1,0,0|2,0,0]=4 10884 B10R1.66 CC(=O)NC[C@@H]1CCCO1 11a_100020590478_100015343762 [0,1,0,1,0,0|2,0,0]=4 10885 B10R1.66 CC(=O)NC[C@@H]1CCCO1 1626a_100020590478_100015343762 [0,1,0,1,0,0|2,0,0]=4 10886 B10R1.66 CC(=O)NC[C@@H]1CCCO1 240690a_100020590478_100015343762 [0,1,0,1,0,0|2,0,0]=4 10887 B10R1.66 CC(=O)NC[C@@H]1CCCO1 527a_100020590478_100103153847 [0,1,0,1,0,0|2,0,0]=4 10888 B10R1.66 CC(=O)NNC1CCCC1 22a_100000737850_100000070787 [0,1,0,1,0,0|2,0,0]=4 10889 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [0,1,0,1,0,0|2,0,0]=4 10890 B10R1.66 CC(O)CCN1CCCC1 2230a_100000188435_100012276601 [0,1,0,1,0,0|1,0,1]=4 10891 B10R1.66 CC(O)CCN1CCCC1 269982a_100000188435_100012276601 [0,1,0,1,0,0|1,0,1]=4 10892 B10R1.66 CC(O)CNC1CCCC1 2230a_100000210904_100000179811 [0,1,0,1,0,0|1,0,1]=4 10893 B10R1.66 CC(O)CNC1CCCC1 2230a_100000211070_100011218427 [0,1,0,1,0,0|1,0,1]=4 10894 B10R1.66 CC(O)CNC1CCCC1 270004a_100000210904_100000210133 [0,1,0,1,0,0|1,0,1]=4 10895 B10R1.66 CC(O)CNC1CCCC1 34a_100000210904_100000179811 [0,1,0,1,0,0|1,0,1]=4 10896 B10R1.66 CC(O)CNC1CCCC1 34a_100000211070_100011218427 [0,1,0,1,0,0|1,0,1]=4 10897 B10R1.66 CC(O)COC1CCCC1 34a_100000210269_100011218427 [0,1,0,1,0,0|1,0,1]=4 10898 B10R1.66 CC(O)COC1CCCC1 7a_100000210269_100011218427 [0,1,0,1,0,0|1,0,1]=4 10899 B10R1.66 CC(O)CSC1CCCC1 62a_100011217020_100011218427 [0,1,0,1,0,0|1,0,1]=4 10900 B10R1.66 CC(O)CSC1CCCC1 62a_100011218427_100000179811 [0,1,0,1,0,0|1,0,1]=4 10901 B10R1.66 C[C@@H](O)CNC1CCCC1 2230a_100000211070_100009817552 [0,1,0,1,0,0|1,0,1]=4 10902 B10R1.66 C[C@@H](O)CNC1CCCC1 34a_100000211070_100009817552 [0,1,0,1,0,0|1,0,1]=4 10903 B10R1.66 C[C@@H](O)COC1CCCC1 34a_100000210269_100009817552 [0,1,0,1,0,0|1,0,1]=4 10904 B10R1.66 C[C@@H](O)COC1CCCC1 7a_100000210269_100009817552 [0,1,0,1,0,0|1,0,1]=4 10905 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100009817552_100000179811 [0,1,0,1,0,0|1,0,1]=4 10906 B10R1.66 C[C@@H](O)CSC1CCCC1 62a_100011217020_100009817552 [0,1,0,1,0,0|1,0,1]=4 10907 B10R1.66 NC(=O)CCN1CCCC1 2230a_100000188435_100000744528 [0,1,0,1,0,0|1,0,0]=3 10908 B10R1.66 NC(=O)CCN1CCCC1 269982a_100000188435_100000744528 [0,1,0,1,0,0|1,0,0]=3 10909 B10R1.66 NC(=O)CCN1CCSC1 2230a_100011215254_100000744528 [0,1,0,1,0,0|2,0,0]=4 10910 B10R1.66 NC(=O)CCN1CCSC1 269982a_100011215254_100000744528 [0,1,0,1,0,0|2,0,0]=4 10911 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [0,1,0,1,0,0|1,0,0]=3 10912 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [0,1,0,1,0,0|1,0,0]=3 10913 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [0,1,0,1,0,0|1,0,0]=3 10914 B10R1.66 NC(=O)CNC1CCOC1 2230a_100000711301_100000731011 [0,1,0,1,0,0|2,0,0]=4 10915 B10R1.66 NC(=O)CN[C@@H]1CCOC1 2230a_200015188469_100000747473 [0,1,0,1,0,0|2,0,0]=4 10916 B10R1.66 NC(=O)CN[C@H]1CCOC1 2230a_100015188467_100000747473 [0,1,0,1,0,0|2,0,0]=4 10917 B10R1.66 NC(=O)CN[C@H]1CCOC1 34a_100015188467_100000187820 [0,1,0,1,0,0|2,0,0]=4 10918 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [0,1,0,1,0,0|1,0,0]=3 10919 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [0,1,0,1,0,0|1,0,0]=3 10920 B10R1.66 NC(=O)COC1CCCO1 34a_100000085407_100000187820 [0,1,0,1,0,0|2,0,0]=4 10921 B10R1.66 NC(=O)COC1CCSC1 7a_100011232664_100000187820 [0,1,0,1,0,0|2,0,0]=4 10922 B10R1.66 NC(=O)CO[C@H]1CCOC1 34a_100000717292_100000187820 [0,1,0,1,0,0|2,0,0]=4 10923 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [0,1,0,1,0,0|1,0,0]=3 10924 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [0,1,0,1,0,0|1,0,0]=3 10925 B10R1.66 NC(=O)CSC1CCOC1 62a_100000747473_100000690089 [0,1,0,1,0,0|2,0,0]=4 10926 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [0,1,0,1,0,0|0,0,0]=2 10927 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [0,1,0,1,0,0|1,0,0]=3 10928 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [0,1,0,1,0,0|0,0,1]=3 10929 B10R1.66 O=C([O-])CN[C@H]1CCOC1 34a_100015188467_100020667443 [0,1,0,1,0,0|1,0,1]=4 10930 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [0,1,0,1,0,0|0,0,1]=3 10931 B10R1.66 O=C([O-])COC1CCCO1 34a_100000085407_100020667443 [0,1,0,1,0,0|1,0,1]=4 10932 B10R1.66 O=C([O-])CO[C@H]1CCOC1 34a_100000717292_100020667443 [0,1,0,1,0,0|1,0,1]=4 10933 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [0,1,0,1,0,0|0,0,1]=3 10934 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [0,1,0,1,0,0|0,0,1]=3 10935 B10R1.66 O=C([O-])CSC1CCOC1 62a_100020667443_100000690089 [0,1,0,1,0,0|1,0,1]=4 10936 B10R1.66 O=[N+]([O-])CNC1CCCC1 34a_100000211070_100000761209 [0,1,0,1,0,0|1,0,1]=4 10937 B10R1.66 O=[N+]([O-])COC1CCCC1 34a_100000210269_100000761209 [0,1,0,1,0,0|1,0,1]=4 10938 B10R1.66 O=[N+]([O-])CSC1CCCC1 62a_100011217020_100000761209 [0,1,0,1,0,0|1,0,1]=4 10939 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [0,1,0,1,0,0|1,0,0]=3 10940 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [0,1,0,1,0,0|1,0,0]=3 10941 B10R1.66 [13CH3]C(=O)CCC1OCCO1 1458a_100000082924_200025704644 [0,1,0,1,0,0|2,0,0]=4 10942 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [0,1,0,1,0,0|1,0,0]=3 10943 B10R1.66 [13CH3]C(=O)CCN1CCCO1 1458a_200015187630_200025704644 [0,1,0,1,0,0|2,0,0]=4 10944 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,1,0,1,0,0|1,0,0]=3 10945 B10R1.86 C#CCN1CCC1C(=O)O 269956a_100000021838_100000184674 [0,1,0,1,0,0|0,0,2]=4 10946 B10R1.86 C=CCN1CCC1C(=O)O 269956a_100000021838_100000210623 [0,1,0,1,0,0|0,0,2]=4 10947 B10R1.86 CCCN1CCC1C(=O)O 269956a_100000021838_100000210207 [0,1,0,1,0,0|0,0,0]=2 10948 B10R1.86 COCC1CCN1C(=O)C 11a_100015195929_100015343762 [0,1,0,1,0,0|2,0,0]=4 10949 B10R1.86 COCC1CCN1C(=O)C 1626a_100015195929_100015343762 [0,1,0,1,0,0|2,0,0]=4 10950 B10R1.86 COCC1CCN1C(=O)C 240690a_100015195929_100015343762 [0,1,0,1,0,0|2,0,0]=4 10951 B10R1.86 COCC1CCN1C(=O)C 527a_100015195929_100103153847 [0,1,0,1,0,0|2,0,0]=4 10952 B10R1.86 COCN1CCC1C(=O)O 269956a_100000021838_100000766300 [0,1,0,1,0,0|1,0,0]=3 10953 B10R1.86 CSCN1CCC1C(=O)O 269956a_100000021838_100011218213 [0,1,0,1,0,0|1,0,0]=3 10954 B10R1.86 N#CCN1CCC1C(=O)O 269956a_100000021838_100011215382 [0,1,0,1,0,0|1,0,1]=4 10955 B10R1.86 O=C(O)C1CCN1CCF 269956a_100000021838_100011217306 [0,1,0,1,0,0|1,0,0]=3 10956 B10R1.86 O=C(O)C1CCN1CCO 269956a_100000021838_100000211926 [0,1,0,1,0,0|1,0,0]=3 10957 B10R1.86 O=CCN1CCC1C(=O)O 269956a_100000021838_200015260668 [0,1,0,1,0,0|1,0,1]=4 10958 B10R1.126 C=C(Br)CCOCC1CC1 34a_100009813270_100000742324 [0,1,0,1,0,0|2,0,0]=4 10959 B10R1.126 C=C(C)CCNCC1CC1 2230a_100000735609_100000730704 [0,1,0,1,0,0|2,0,0]=4 10960 B10R1.126 C=C(C)CCNCC1CC1 34a_100000735609_100000730704 [0,1,0,1,0,0|2,0,0]=4 10961 B10R1.126 C=C(C)CCOCC1CC1 34a_100000211283_100000730704 [0,1,0,1,0,0|2,0,0]=4 10962 B10R1.126 C=C(C)CCOCC1CC1 34a_100000764851_100000742324 [0,1,0,1,0,0|2,0,0]=4 10963 B10R1.126 C=C(C)CCSCC1CC1 62a_100000730704_100000742324 [0,1,0,1,0,0|2,0,0]=4 10964 B10R1.126 C=C(C)CCSCC1CC1 62a_100000756562_100000730704 [0,1,0,1,0,0|2,0,0]=4 10965 B10R1.126 C=C(C)CNCCC1CC1 34a_100000764129_100000748629 [0,1,0,1,0,0|2,0,0]=4 10966 B10R1.126 C=C(C)COCCC1CC1 34a_100000210245_100000694398 [0,1,0,1,0,0|2,0,0]=4 10967 B10R1.126 C=C(C)COCCC1CC1 34a_100000754188_100000748629 [0,1,0,1,0,0|2,0,0]=4 10968 B10R1.126 C=C(C)COCCC1CC1 7a_100000754188_100000748629 [0,1,0,1,0,0|2,0,0]=4 10969 B10R1.126 C=C(C)CSCCC1CC1 62a_100000748629_100000764125 [0,1,0,1,0,0|2,0,0]=4 10970 B10R1.126 C=C(C)CSCCC1CC1 62a_100000764125_100000211660 [0,1,0,1,0,0|2,0,0]=4 10971 B10R1.126 C=C(F)CNCCC1CC1 34a_100000764129_100009893438 [0,1,0,1,0,0|2,0,0]=4 10972 B10R1.126 C=C(F)COCCC1CC1 34a_100000754188_100009893438 [0,1,0,1,0,0|2,0,0]=4 10973 B10R1.126 C=C(F)COCCC1CC1 34a_200010262243_100000694398 [0,1,0,1,0,0|2,0,0]=4 10974 B10R1.126 C=C(F)COCCC1CC1 7a_100000754188_100000042424 [0,1,0,1,0,0|2,0,0]=4 10975 B10R1.126 C=C(F)CSCCC1CC1 62a_100000042424_100000764125 [0,1,0,1,0,0|2,0,0]=4 10976 B10R1.126 C=C(F)CSCCC1CC1 62a_100000764125_100000042424 [0,1,0,1,0,0|2,0,0]=4 10977 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,1,0,1,0,0|1,0,0]=3 10978 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,1,0,1,0,0|1,0,0]=3 10979 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,1,0,1,0,0|1,0,0]=3 10980 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,1,0,1,0,0|1,0,0]=3 10981 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,1,0,1,0,0|1,0,0]=3 10982 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [0,1,0,1,0,0|2,0,0]=4 10983 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [0,1,0,1,0,0|2,0,0]=4 10984 B10R1.126 CC(=O)CCOCC1CS1 7a_100000759926_100000031435 [0,1,0,1,0,0|2,0,0]=4 10985 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [0,1,0,1,0,0|2,0,0]=4 10986 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [0,1,0,1,0,0|1,0,0]=3 10987 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [0,1,0,1,0,0|1,0,0]=3 10988 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [0,1,0,1,0,0|2,0,0]=4 10989 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [0,1,0,1,0,0|2,0,0]=4 10990 B10R1.126 CC(=O)CCSCC1CS1 62a_100000031435_100000053229 [0,1,0,1,0,0|2,0,0]=4 10991 B10R1.126 CC(=O)CCSCC1CS1 62a_100000053229_100000031435 [0,1,0,1,0,0|2,0,0]=4 10992 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [0,1,0,1,0,0|2,0,0]=4 10993 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [0,1,0,1,0,0|2,0,0]=4 10994 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,1,0,1,0,0|1,0,0]=3 10995 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [0,1,0,1,0,0|2,0,0]=4 10996 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [0,1,0,1,0,0|2,0,0]=4 10997 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [0,1,0,1,0,0|2,0,0]=4 10998 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [0,1,0,1,0,0|2,0,0]=4 10999 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [0,1,0,1,0,0|2,0,0]=4 11000 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [0,1,0,1,0,0|2,0,0]=4 11001 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [0,1,0,1,0,0|2,0,0]=4 11002 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [0,1,0,1,0,0|2,0,0]=4 11003 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [0,1,0,1,0,0|2,0,0]=4 11004 B10R1.126 CC(O)CCCNC1CC1 34a_100000212008_200000718107 [0,1,0,1,0,0|1,0,1]=4 11005 B10R1.126 CC(O)CCCSC1CC1 62a_200000718107_100000211595 [0,1,0,1,0,0|1,0,1]=4 11006 B10R1.126 CC(O)CCNCC1CC1 2230a_100000735609_100012276601 [0,1,0,1,0,0|1,0,1]=4 11007 B10R1.126 CC(O)CCNCC1CC1 2230a_200000755665_100000742324 [0,1,0,1,0,0|1,0,1]=4 11008 B10R1.126 CC(O)CCNCC1CC1 269862a_200000755665_100000741477 [0,1,0,1,0,0|1,0,1]=4 11009 B10R1.126 CC(O)CCNCC1CC1 34a_100000735609_100012276601 [0,1,0,1,0,0|1,0,1]=4 11010 B10R1.126 CC(O)CCOCC1CC1 34a_100000211283_100012276601 [0,1,0,1,0,0|1,0,1]=4 11011 B10R1.126 CC(O)CCSCC1CC1 62a_100000756562_100012276601 [0,1,0,1,0,0|1,0,1]=4 11012 B10R1.126 CC(O)CCSCC1CC1 62a_100012276601_100000742324 [0,1,0,1,0,0|1,0,1]=4 11013 B10R1.126 CC(O)CNCCC1CC1 2230a_100000210904_100000694398 [0,1,0,1,0,0|1,0,1]=4 11014 B10R1.126 CC(O)CNCCC1CC1 34a_100000210904_100000694398 [0,1,0,1,0,0|1,0,1]=4 11015 B10R1.126 CC(O)CNCCC1CC1 34a_100000764129_100011218427 [0,1,0,1,0,0|1,0,1]=4 11016 B10R1.126 CC(O)COCCC1CC1 34a_100000754188_100011218427 [0,1,0,1,0,0|1,0,1]=4 11017 B10R1.126 CC(O)COCCC1CC1 7a_100000754188_100011218427 [0,1,0,1,0,0|1,0,1]=4 11018 B10R1.126 CC(O)CSCCC1CC1 62a_100000764125_100011218427 [0,1,0,1,0,0|1,0,1]=4 11019 B10R1.126 CC(O)CSCCC1CC1 62a_100011218427_100000764125 [0,1,0,1,0,0|1,0,1]=4 11020 B10R1.126 C[C@@H](O)CNCCC1CC1 34a_100000764129_100009817552 [0,1,0,1,0,0|1,0,1]=4 11021 B10R1.126 C[C@@H](O)COCCC1CC1 34a_100000754188_100009817552 [0,1,0,1,0,0|1,0,1]=4 11022 B10R1.126 C[C@@H](O)COCCC1CC1 7a_100000754188_100009817552 [0,1,0,1,0,0|1,0,1]=4 11023 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100000764125_100009817552 [0,1,0,1,0,0|1,0,1]=4 11024 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100009817552_100000764125 [0,1,0,1,0,0|1,0,1]=4 11025 B10R1.126 NC(=O)CCCNC1CC1 34a_100000212008_100102525003 [0,1,0,1,0,0|1,0,0]=3 11026 B10R1.126 NC(=O)CCCNC1CC1 34a_100000739312_100000211595 [0,1,0,1,0,0|1,0,0]=3 11027 B10R1.126 NC(=O)CCCSC1CC1 62a_100102525003_100000211595 [0,1,0,1,0,0|1,0,0]=3 11028 B10R1.126 NC(=O)CCNCC1CC1 2230a_100000735609_100000744528 [0,1,0,1,0,0|1,0,0]=3 11029 B10R1.126 NC(=O)CCNCC1CC1 269862a_100000740010_100000741477 [0,1,0,1,0,0|1,0,0]=3 11030 B10R1.126 NC(=O)CCNCC1CC1 34a_100000735609_100000731001 [0,1,0,1,0,0|1,0,0]=3 11031 B10R1.126 NC(=O)CCOCC1CC1 34a_100000211283_100000731001 [0,1,0,1,0,0|1,0,0]=3 11032 B10R1.126 NC(=O)CCOCC1CC1 34a_100000757172_100000742324 [0,1,0,1,0,0|1,0,0]=3 11033 B10R1.126 NC(=O)CCOCC1CC1 7a_100000757172_100000742324 [0,1,0,1,0,0|1,0,0]=3 11034 B10R1.126 NC(=O)CCOCC1CO1 34a_100000757172_102125554688 [0,1,0,1,0,0|2,0,0]=4 11035 B10R1.126 NC(=O)CCOCC1CO1 7a_100000757172_102125554688 [0,1,0,1,0,0|2,0,0]=4 11036 B10R1.126 NC(=O)CCOCC1CS1 7a_100000757172_100000031435 [0,1,0,1,0,0|2,0,0]=4 11037 B10R1.126 NC(=O)CCOC[C@@H]1CO1 34a_100000757423_100000731001 [0,1,0,1,0,0|2,0,0]=4 11038 B10R1.126 NC(=O)CCOC[C@@H]1CO1 7a_100000757172_100000745022 [0,1,0,1,0,0|2,0,0]=4 11039 B10R1.126 NC(=O)CCSCC1CC1 62a_100000744528_100000742324 [0,1,0,1,0,0|1,0,0]=3 11040 B10R1.126 NC(=O)CCSCC1CC1 62a_100000756562_100000744528 [0,1,0,1,0,0|1,0,0]=3 11041 B10R1.126 NC(=O)CCSCC1CO1 62a_100000744528_102125554688 [0,1,0,1,0,0|2,0,0]=4 11042 B10R1.126 NC(=O)CCSCC1CO1 62a_102125554688_100000744528 [0,1,0,1,0,0|2,0,0]=4 11043 B10R1.126 NC(=O)CCSCC1CS1 62a_100000031435_100000744528 [0,1,0,1,0,0|2,0,0]=4 11044 B10R1.126 NC(=O)CCSCC1CS1 62a_100000744528_100000031435 [0,1,0,1,0,0|2,0,0]=4 11045 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000744528_100000745022 [0,1,0,1,0,0|2,0,0]=4 11046 B10R1.126 NC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000744528 [0,1,0,1,0,0|2,0,0]=4 11047 B10R1.126 NC(=O)CNCCC1CC1 2230a_100000711301_100000694398 [0,1,0,1,0,0|1,0,0]=3 11048 B10R1.126 NC(=O)CNCCC1CC1 34a_100000764129_100000187820 [0,1,0,1,0,0|1,0,0]=3 11049 B10R1.126 NC(=O)CNCCC1CO1 2230a_100000711301_100000732470 [0,1,0,1,0,0|2,0,0]=4 11050 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [0,1,0,1,0,0|1,0,0]=3 11051 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [0,1,0,1,0,0|1,0,0]=3 11052 B10R1.126 NC(=O)COCC[C@@H]1CO1 34a_100009820653_100000187820 [0,1,0,1,0,0|2,0,0]=4 11053 B10R1.126 NC(=O)CSCCC1CC1 62a_100000747473_100000764125 [0,1,0,1,0,0|1,0,0]=3 11054 B10R1.126 NC(=O)CSCCC1CC1 62a_100000764125_100000747473 [0,1,0,1,0,0|1,0,0]=3 11055 B10R1.126 NC(=O)CSCCC1CO1 62a_100000732470_100000747473 [0,1,0,1,0,0|2,0,0]=4 11056 B10R1.126 NC(=O)CSCCC1CO1 62a_100000747473_100000732470 [0,1,0,1,0,0|2,0,0]=4 11057 B10R1.126 NC(=O)NCCNC1CC1 34a_100020590234_100000211595 [0,1,0,1,0,0|2,0,0]=4 11058 B10R1.126 NC(=O)NCCOC1CC1 34a_100000181757_100000211595 [0,1,0,1,0,0|2,0,0]=4 11059 B10R1.126 NC(=O)NCCSC1CC1 62a_200000034859_100000211595 [0,1,0,1,0,0|2,0,0]=4 11060 B10R1.126 NC(=O)OCCNC1CC1 34a_100000212008_200011214921 [0,1,0,1,0,0|2,0,0]=4 11061 B10R1.126 NC(=O)OCCSC1CC1 62a_200011214921_100000211595 [0,1,0,1,0,0|2,0,0]=4 11062 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [0,1,0,1,0,0|0,0,0]=2 11063 B10R1.126 O=C(O)CNCCC1CO1 269956a_100016091260_100000732470 [0,1,0,1,0,0|1,0,0]=3 11064 B10R1.126 O=C(O)CONCC1CC1 269956a_100000106656_100000742324 [0,1,0,1,0,0|1,0,0]=3 11065 B10R1.126 O=C(O)CONCC1CO1 269956a_100000106656_102125554688 [0,1,0,1,0,0|2,0,0]=4 11066 B10R1.126 O=C(O)CONCC1CS1 269956a_100000106656_100000031435 [0,1,0,1,0,0|2,0,0]=4 11067 B10R1.126 O=C(O)CONC[C@@H]1CO1 269956a_100000106656_100000745022 [0,1,0,1,0,0|2,0,0]=4 11068 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [0,1,0,1,0,0|0,0,1]=3 11069 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [0,1,0,1,0,0|0,0,1]=3 11070 B10R1.126 O=C([O-])COCC[C@@H]1CO1 34a_100009820653_100020667443 [0,1,0,1,0,0|1,0,1]=4 11071 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [0,1,0,1,0,0|0,0,1]=3 11072 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [0,1,0,1,0,0|0,0,1]=3 11073 B10R1.126 O=C([O-])CSCCC1CO1 62a_100000732470_100020667443 [0,1,0,1,0,0|1,0,1]=4 11074 B10R1.126 O=C([O-])CSCCC1CO1 62a_100020667443_100000732470 [0,1,0,1,0,0|1,0,1]=4 11075 B10R1.126 O=[N+]([O-])CCCOC1CC1 34a_200000037920_100000211595 [0,1,0,1,0,0|1,0,1]=4 11076 B10R1.126 O=[N+]([O-])CNCCC1CC1 34a_100000764129_100000761209 [0,1,0,1,0,0|1,0,1]=4 11077 B10R1.126 O=[N+]([O-])COCCC1CC1 34a_100000754188_100000761209 [0,1,0,1,0,0|1,0,1]=4 11078 B10R1.126 O=[N+]([O-])CSCCC1CC1 62a_100000764125_100000761209 [0,1,0,1,0,0|1,0,1]=4 11079 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210202 [0,1,0,1,0,0|1,0,1]=4 11080 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210202 [0,1,0,1,0,0|1,0,1]=4 11081 B10R1.162 CCN1CCCCC(C1)O 2230a_100025706797_100000210202 [0,1,0,1,0,0|1,0,1]=4 11082 B10R1.162 CCN1CCCCC(C1)O 269982a_100025706797_100000204670 [0,1,0,1,0,0|1,0,1]=4 11083 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [0,1,0,1,0,0|2,0,0]=4 11084 B10R1.177 CCCCCNCC1CO1 2230a_100000209983_100011216344 [0,1,0,1,0,0|1,0,1]=4 11085 B10R1.177 CCCCCOCC1CO1 34a_100000210253_102125554688 [0,1,0,1,0,0|1,0,1]=4 11086 B10R1.177 CCCCCOCC1CO1 7a_100000210253_102125554688 [0,1,0,1,0,0|1,0,1]=4 11087 B10R1.177 CCCCCOC[C@@H]1CO1 34a_100000757423_100000718602 [0,1,0,1,0,0|1,0,1]=4 11088 B10R1.177 CCCCCOC[C@@H]1CO1 7a_100000210253_100000745022 [0,1,0,1,0,0|1,0,1]=4 11089 B10R1.177 CCCCCSCC1CO1 62a_100000210326_102125554688 [0,1,0,1,0,0|1,0,1]=4 11090 B10R1.177 CCCCCSCC1CO1 62a_102125554688_100000210326 [0,1,0,1,0,0|1,0,1]=4 11091 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000210326_100000745022 [0,1,0,1,0,0|1,0,1]=4 11092 B10R1.177 CCCCCSC[C@@H]1CO1 62a_100000745022_100000210326 [0,1,0,1,0,0|1,0,1]=4 11093 B10R1.177 CCCCNCCC1CO1 2230a_100000102301_100000732470 [0,1,0,1,0,0|1,0,1]=4 11094 B10R1.177 CCCCNCCC1CO1 7a_106832991798_100000732470 [0,1,0,1,0,0|1,0,1]=4 11095 B10R1.177 CCCCOCCC1CO1 34a_100000210227_100000732470 [0,1,0,1,0,0|1,0,1]=4 11096 B10R1.177 CCCCOCCC1CO1 7a_100000210227_100000732470 [0,1,0,1,0,0|1,0,1]=4 11097 B10R1.177 CCCCOCC[C@@H]1CO1 34a_100009820653_100000210210 [0,1,0,1,0,0|1,0,1]=4 11098 B10R1.177 CCCCSCCC1CO1 62a_100000210211_100000732470 [0,1,0,1,0,0|1,0,1]=4 11099 B10R1.177 CCCCSCCC1CO1 62a_100000732470_100000210210 [0,1,0,1,0,0|1,0,1]=4 11100 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [0,1,0,1,0,0|1,0,1]=4 11101 B10R1.177 CCCSCCCC1CO1 62a_100000210303_100000733510 [0,1,0,1,0,0|1,0,1]=4 11102 B10R1.177 CCCSCCCC1CO1 62a_100000733510_100000210303 [0,1,0,1,0,0|1,0,1]=4 11103 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,1,0,1,0,0|1,0,1]=4 11104 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,1,0,1,0,0|1,0,0]=3 11105 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,1,0,1,0,0|1,0,0]=3 11106 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,1,0,1,0,0|1,0,0]=3 11107 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,1,0,1,0,0|1,0,0]=3 11108 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,1,0,1,0,0|1,0,0]=3 11109 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,1,0,1,0,0|1,0,0]=3 11110 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,1,0,1,0,0|2,0,0]=4 11111 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,1,0,1,0,0|2,0,0]=4 11112 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,1,0,1,0,0|2,0,0]=4 11113 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,1,0,1,0,0|2,0,0]=4 11114 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,1,0,1,0,0|1,0,1]=4 11115 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,1,0,1,0,0|1,0,0]=3 11116 B10R1.110 CC1CC1C(=O)CC(=O)N 1458a_100000211227_100000187820 [0,1,0,1,0,0|1,0,1]=4 11117 B10R1.110 CC1CC1C(=O)CC(=O)[O-] 1458a_100000211227_100020667443 [0,1,0,1,0,0|0,0,2]=4 11118 B10R1.192 CC(=O)N1C(CCC1C)C 11a_100000687148_100015343762 [0,1,0,1,0,0|2,0,0]=4 11119 B10R1.192 CC(=O)N1C(CCC1C)C 240690a_100000687148_100015343762 [0,1,0,1,0,0|2,0,0]=4 11120 B10R1.192 CC(=O)N1C(CCC1C)C 527a_100000687148_100103153847 [0,1,0,1,0,0|2,0,0]=4 11121 B10R1.266 CC(=O)CC(=O)C1CCC1 1458a_100000070787_100000686122 [0,1,0,1,0,0|1,0,1]=4 11122 B10R1.266 CC(=O)NC(C)C1CCC1 11a_100016994624_100015343762 [0,1,0,1,0,0|2,0,0]=4 11123 B10R1.266 CC(=O)NC(C)C1CCC1 1626a_100016994624_100015343762 [0,1,0,1,0,0|2,0,0]=4 11124 B10R1.266 CC(=O)NC(C)C1CCC1 240690a_100016994624_100015343762 [0,1,0,1,0,0|2,0,0]=4 11125 B10R1.266 CC(=O)NC(C)C1CCC1 527a_100016994624_100103153847 [0,1,0,1,0,0|2,0,0]=4 11126 B10R1.266 CN(CC(=O)N)C1CCC1 2230a_100000758072_100000747473 [0,1,0,1,0,0|2,0,0]=4 11127 B10R1.266 CN(CC(=O)N)C1CCC1 269982a_100000758072_100000187820 [0,1,0,1,0,0|2,0,0]=4 11128 B10R1.266 CN(CC(=O)N)C1CCC1 270004a_100000739694_100000241760 [0,1,0,1,0,0|2,0,0]=4 11129 B10R1.266 CN(CC(=O)N)C1CCC1 34a_100000758072_100000187820 [0,1,0,1,0,0|2,0,0]=4 11130 B10R1.266 CN(CC(=O)O)C1CCC1 269956a_100000746989_100000749161 [0,1,0,1,0,0|1,0,0]=3 11131 B10R1.266 CN(CC(=O)O)C1COC1 269956a_100000746989_100009818527 [0,1,0,1,0,0|2,0,0]=4 11132 B10R1.266 CN(CC(=O)[O-])C1CCC1 269982a_100000758072_100020667443 [0,1,0,1,0,0|1,0,1]=4 11133 B10R1.266 CN(CC(=O)[O-])C1CCC1 34a_100000758072_100020667443 [0,1,0,1,0,0|1,0,1]=4 11134 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100000209988_100000187820 [0,1,0,1,0,0|1,0,1]=4 11135 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100134613110_100000749161 [0,1,0,1,0,0|1,0,1]=4 11136 B10R1.266 O=C([O-])CC(=O)C1CCC1 1458a_100000209988_100020667443 [0,1,0,1,0,0|0,0,2]=4 11137 B10R1.268 CC(=O)CS(=O)CC1CC1 1458a_100011387478_200000210301 [0,1,0,1,0,0|2,0,0]=4 11138 B10R1.268 CN(CC(=O)N)CC1CC1 2230a_100000739694_100000742324 [0,1,0,1,0,0|2,0,0]=4 11139 B10R1.268 CN(CC(=O)N)CC1CC1 2230a_100000741881_100000747473 [0,1,0,1,0,0|2,0,0]=4 11140 B10R1.268 CN(CC(=O)N)CC1CC1 269982a_100000741881_100000187820 [0,1,0,1,0,0|2,0,0]=4 11141 B10R1.268 CN(CC(=O)O)CC1CC1 269956a_100000746989_100000742324 [0,1,0,1,0,0|1,0,0]=3 11142 B10R1.268 CN(CC(=O)O)CC1CO1 269956a_100000746989_102125554688 [0,1,0,1,0,0|2,0,0]=4 11143 B10R1.268 CN(CC(=O)O)CC1CS1 269956a_100000746989_100000031435 [0,1,0,1,0,0|2,0,0]=4 11144 B10R1.268 CN(CC(=O)O)C[C@@H]1CO1 269956a_100000746989_100000745022 [0,1,0,1,0,0|2,0,0]=4 11145 B10R1.268 CN(CC(=O)[O-])CC1CC1 269982a_100000741881_100020667443 [0,1,0,1,0,0|1,0,1]=4 11146 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100000738066_100000187820 [0,1,0,1,0,0|1,0,1]=4 11147 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100134613110_100000742324 [0,1,0,1,0,0|1,0,1]=4 11148 B10R1.268 O=C([O-])CC(=O)CC1CC1 1458a_100000738066_100020667443 [0,1,0,1,0,0|0,0,2]=4 11149 B10R1.268 [13CH3]C(=O)CS(=O)CC1CC1 1458a_100011387478_200025704644 [0,1,0,1,0,0|2,0,0]=4 11150 B10R1.1 CCNC1CCC(=O)NC1 2230a_100000748762_100000210202 [0,1,0,1,0,0|2,0,0]=4 11151 B10R1.1 CCNC1CCC(=O)NC1 34a_100000748762_100000210202 [0,1,0,1,0,0|2,0,0]=4 11152 B10R1.1 CCOC1CCC(=O)CC1 34a_100000764474_100000210202 [0,1,0,1,0,0|2,0,0]=4 11153 B10R1.1 CCOC1CCC(=O)CC1 7a_100000764474_100000210202 [0,1,0,1,0,0|2,0,0]=4 11154 B10R1.1 CCOC1CCC(=O)NC1 34a_100000079199_100000210202 [0,1,0,1,0,0|2,0,0]=4 11155 B10R1.1 COCC1CCC(=O)CC1 34a_100000062911_200000210301 [0,1,0,1,0,0|2,0,0]=4 11156 B10R1.1 [13CH3]OCC1CCC(=O)CC1 34a_100000062911_200025704644 [0,1,0,1,0,0|2,0,0]=4 11157 B10R1.15 C#CC(=O)C1CCCCC1 1458a_100000211873_100000210327 [0,1,0,1,0,0|1,0,0]=3 11158 B10R1.15 C#CC(=O)C1CCCOC1 1458a_100000211873_100000693364 [0,1,0,1,0,0|2,0,0]=4 11159 B10R1.15 C#CC(=O)C1CCOCC1 1458a_100000211873_100011324220 [0,1,0,1,0,0|2,0,0]=4 11160 B10R1.15 C=CC(=O)C1CCCCC1 1458a_100000185746_100000210327 [0,1,0,1,0,0|1,0,0]=3 11161 B10R1.15 C=CC(=O)C1CCCOC1 1458a_100000185746_100000693364 [0,1,0,1,0,0|2,0,0]=4 11162 B10R1.15 C=CC(=O)C1CCOCC1 1458a_100000185746_100011324220 [0,1,0,1,0,0|2,0,0]=4 11163 B10R1.15 CC(O[13CH3])C1CCCCC1 34a_100011216961_200025704644 [0,1,0,1,0,0|1,0,1]=4 11164 B10R1.15 CC(O[13CH3])C1CCCCC1 7a_100011216961_200025704644 [0,1,0,1,0,0|1,0,1]=4 11165 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,1,0,0|1,0,0]=3 11166 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,1,0,0|1,0,0]=3 11167 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,1,0,0|2,0,0]=4 11168 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000210414_100000693364 [0,1,0,1,0,0|2,0,0]=4 11169 B10R1.15 CCC(=O)C1CCCOC1 1458a_100000741522_100000210202 [0,1,0,1,0,0|2,0,0]=4 11170 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000195482_100000210202 [0,1,0,1,0,0|2,0,0]=4 11171 B10R1.15 CCC(=O)C1CCOCC1 1458a_100000210414_100011324220 [0,1,0,1,0,0|2,0,0]=4 11172 B10R1.15 CCC(=O)C1CCSCC1 1458a_100000755232_100000210202 [0,1,0,1,0,0|2,0,0]=4 11173 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,1,0,0|1,0,0]=3 11174 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,1,0,0|1,0,0]=3 11175 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,1,0,0|1,0,0]=3 11176 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,1,0,0|1,0,0]=3 11177 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,1,0,1,0,0|2,0,0]=4 11178 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,1,0,1,0,0|2,0,0]=4 11179 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,1,0,1,0,0|2,0,0]=4 11180 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,1,0,1,0,0|2,0,0]=4 11181 B10R1.15 CNC(=O)C1CCCOC1 11a_106832991635_100000741522 [0,1,0,1,0,0|2,0,0]=4 11182 B10R1.15 CNC(=O)C1CCCOC1 1626a_100102657272_100000741522 [0,1,0,1,0,0|2,0,0]=4 11183 B10R1.15 CNC(=O)C1CCCOC1 240690a_100102657272_100000741522 [0,1,0,1,0,0|2,0,0]=4 11184 B10R1.15 CNC(=O)C1CCCOC1 527a_100102657272_100000741522 [0,1,0,1,0,0|2,0,0]=4 11185 B10R1.15 CNC(=O)C1CCOCC1 11a_106832991635_100000195482 [0,1,0,1,0,0|2,0,0]=4 11186 B10R1.15 CNC(=O)C1CCOCC1 1626a_100102657272_100000195482 [0,1,0,1,0,0|2,0,0]=4 11187 B10R1.15 CNC(=O)C1CCOCC1 240690a_100102657272_100000195482 [0,1,0,1,0,0|2,0,0]=4 11188 B10R1.15 CNC(=O)C1CCOCC1 527a_100102657272_100000195482 [0,1,0,1,0,0|2,0,0]=4 11189 B10R1.15 CNC(=O)C1CCSCC1 11a_106832991635_100000755232 [0,1,0,1,0,0|2,0,0]=4 11190 B10R1.15 CNC(=O)C1CCSCC1 1626a_100102657272_100000755232 [0,1,0,1,0,0|2,0,0]=4 11191 B10R1.15 CNC(=O)C1CCSCC1 240690a_100102657272_100000755232 [0,1,0,1,0,0|2,0,0]=4 11192 B10R1.15 CNC(=O)C1CCSCC1 527a_100102657272_100000755232 [0,1,0,1,0,0|2,0,0]=4 11193 B10R1.15 COC(C)C1CCCCC1 34a_100011216961_200000210301 [0,1,0,1,0,0|1,0,1]=4 11194 B10R1.15 COC(C)C1CCCCC1 7a_100011216961_200000210301 [0,1,0,1,0,0|1,0,1]=4 11195 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,1,0,0|1,0,0]=3 11196 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,1,0,1,0,0|2,0,0]=4 11197 B10R1.15 O=C(CF)C1CCCOC1 1458a_100000741522_100015361967 [0,1,0,1,0,0|2,0,0]=4 11198 B10R1.15 O=C(CF)C1CCOCC1 1458a_100000195482_100015361967 [0,1,0,1,0,0|2,0,0]=4 11199 B10R1.15 O=C(CF)C1CCSCC1 1458a_100000755232_100015361967 [0,1,0,1,0,0|2,0,0]=4 11200 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,1,0,0|0,0,2]=4 11201 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,1,0,0|0,0,0]=2 11202 B10R1.15 O=C(CO)C1CCCOC1 1458a_100000210174_100000693364 [0,1,0,1,0,0|1,0,0]=3 11203 B10R1.15 O=C(CO)C1CCOCC1 1458a_100000210174_100011324220 [0,1,0,1,0,0|1,0,0]=3 11204 B10R1.15 O=C(CO)N1CCCOC1 240690a_100000131196_100000210174 [0,1,0,1,0,0|2,0,0]=4 11205 B10R1.15 O=C(CO)N1CCOCC1 240690a_100015191051_100000210174 [0,1,0,1,0,0|2,0,0]=4 11206 B10R1.15 O=C(CO)N1CCOCC1 527a_100015191051_100000210174 [0,1,0,1,0,0|2,0,0]=4 11207 B10R1.15 O=C(CO)N1CCSCC1 240690a_100000737611_100000210174 [0,1,0,1,0,0|2,0,0]=4 11208 B10R1.15 O=C(CO)N1CCSCC1 527a_100000737611_100000210174 [0,1,0,1,0,0|2,0,0]=4 11209 B10R1.27 C#CC(=O)CC1CCCC1 1458a_100000211873_100000740388 [0,1,0,1,0,0|1,0,0]=3 11210 B10R1.27 C#CC(=O)CC1CCCO1 1458a_100000211873_100000203698 [0,1,0,1,0,0|2,0,0]=4 11211 B10R1.27 C#CC(=O)CC1CCOC1 1458a_100000211873_100000702531 [0,1,0,1,0,0|2,0,0]=4 11212 B10R1.27 C=CC(=O)CC1CCCC1 1458a_100000185746_100000740388 [0,1,0,1,0,0|1,0,0]=3 11213 B10R1.27 C=CC(=O)CC1CCCO1 1458a_100000185746_100000203698 [0,1,0,1,0,0|2,0,0]=4 11214 B10R1.27 C=CC(=O)CC1CCOC1 1458a_100000185746_100000702531 [0,1,0,1,0,0|2,0,0]=4 11215 B10R1.27 C=CC(=O)NC1CCCC1 1626a_100000211070_100000185746 [0,1,0,1,0,0|2,0,0]=4 11216 B10R1.27 C=CC(=O)NC1CCCC1 240690a_100000211070_200121576911 [0,1,0,1,0,0|2,0,0]=4 11217 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210414_100000740388 [0,1,0,1,0,0|1,0,0]=3 11218 B10R1.27 CCC(=O)CC1CCCC1 1458a_100000210891_100000210202 [0,1,0,1,0,0|1,0,0]=3 11219 B10R1.27 CCC(=O)CC1CCCO1 1458a_100000210414_100000203698 [0,1,0,1,0,0|2,0,0]=4 11220 B10R1.27 CCC(=O)CC1CCOC1 1458a_100000210414_100000702531 [0,1,0,1,0,0|2,0,0]=4 11221 B10R1.27 CCC(=O)CC1CCOC1 1458a_100011218419_100000210202 [0,1,0,1,0,0|2,0,0]=4 11222 B10R1.27 CCC(=O)CN1CCCC1 1458a_100000740243_100000210202 [0,1,0,1,0,0|2,0,0]=4 11223 B10R1.27 CCC(=O)CN1CCCC1 269982a_100000188435_100000747405 [0,1,0,1,0,0|2,0,0]=4 11224 B10R1.27 CCC(=O)NC1CCCC1 11a_100000211070_100000210414 [0,1,0,1,0,0|2,0,0]=4 11225 B10R1.27 CCC(=O)NC1CCCC1 1626a_100000211070_100000210414 [0,1,0,1,0,0|2,0,0]=4 11226 B10R1.27 CCC(=O)NC1CCCC1 240690a_100000211070_100000210414 [0,1,0,1,0,0|2,0,0]=4 11227 B10R1.27 CCC(=O)NC1CCCC1 527a_100000211070_100000210414 [0,1,0,1,0,0|2,0,0]=4 11228 B10R1.27 CNC(=O)CC1CCCC1 11a_106832991635_100000210891 [0,1,0,1,0,0|1,0,0]=3 11229 B10R1.27 CNC(=O)CC1CCCC1 1626a_100102657272_100000210891 [0,1,0,1,0,0|1,0,0]=3 11230 B10R1.27 CNC(=O)CC1CCCC1 240690a_100102657272_100000210891 [0,1,0,1,0,0|1,0,0]=3 11231 B10R1.27 CNC(=O)CC1CCCC1 527a_100102657272_100000210891 [0,1,0,1,0,0|1,0,0]=3 11232 B10R1.27 CNC(=O)CC1CCOC1 11a_106832991635_100011218419 [0,1,0,1,0,0|2,0,0]=4 11233 B10R1.27 CNC(=O)CC1CCOC1 1626a_100102657272_100011218419 [0,1,0,1,0,0|2,0,0]=4 11234 B10R1.27 CNC(=O)CC1CCOC1 240690a_100102657272_100011218419 [0,1,0,1,0,0|2,0,0]=4 11235 B10R1.27 CNC(=O)CC1CCOC1 527a_100102657272_100011218419 [0,1,0,1,0,0|2,0,0]=4 11236 B10R1.27 CNC(=O)CN1CCCC1 2230a_100000188435_100000183359 [0,1,0,1,0,0|2,0,0]=4 11237 B10R1.27 CNC(=O)CN1CCCC1 240690a_100102657272_100000740243 [0,1,0,1,0,0|2,0,0]=4 11238 B10R1.27 CNC(=O)CN1CCCC1 269982a_100000188435_100000183359 [0,1,0,1,0,0|2,0,0]=4 11239 B10R1.27 CNC(=O)CN1CCCC1 527a_100102657272_100000740243 [0,1,0,1,0,0|2,0,0]=4 11240 B10R1.27 CNC(=O)NC1CCCC1 2708a_100000211070_106832991635 [0,1,0,1,0,0|2,0,0]=4 11241 B10R1.27 CNC(=O)NC1CCCC1 2708a_100102657272_100000211070 [0,1,0,1,0,0|2,0,0]=4 11242 B10R1.27 CNC(=O)NC1CCCC1 273464a_100000211070_100102657272 [0,1,0,1,0,0|2,0,0]=4 11243 B10R1.27 CNC(=O)NC1CCCC1 273464a_100102657272_100000211070 [0,1,0,1,0,0|2,0,0]=4 11244 B10R1.27 CNC(=O)NC1CCCC1 512a_100000211070_100102657272 [0,1,0,1,0,0|2,0,0]=4 11245 B10R1.27 CNC(=O)NC1CCCC1 512a_106832991638_100000211070 [0,1,0,1,0,0|2,0,0]=4 11246 B10R1.27 COC(=O)CN1CCCC1 2230a_100000188435_100000747449 [0,1,0,1,0,0|1,0,0]=3 11247 B10R1.27 COC(=O)CN1CCCC1 269982a_100000188435_100000747449 [0,1,0,1,0,0|1,0,0]=3 11248 B10R1.27 COC(=O)CN1CCSC1 2230a_100011215254_100000747449 [0,1,0,1,0,0|2,0,0]=4 11249 B10R1.27 COC(=O)CN1CCSC1 269982a_100011215254_100000747449 [0,1,0,1,0,0|2,0,0]=4 11250 B10R1.27 O=C(CF)CC1CCCC1 1458a_100000210891_100015361967 [0,1,0,1,0,0|1,0,0]=3 11251 B10R1.27 O=C(CF)CC1CCOC1 1458a_100011218419_100015361967 [0,1,0,1,0,0|2,0,0]=4 11252 B10R1.27 O=C(CF)CN1CCCC1 1458a_100000740243_100015361967 [0,1,0,1,0,0|2,0,0]=4 11253 B10R1.27 O=C(CO)CC1CCCC1 1458a_100000210174_100000740388 [0,1,0,1,0,0|0,0,0]=2 11254 B10R1.27 O=C(CO)CC1CCCO1 1458a_100000210174_100000203698 [0,1,0,1,0,0|1,0,0]=3 11255 B10R1.27 O=C(CO)CC1CCOC1 1458a_100000210174_100000702531 [0,1,0,1,0,0|1,0,0]=3 11256 B10R1.27 O=C(CO)CC1OCCO1 1458a_100000210174_100000755774 [0,1,0,1,0,0|2,0,0]=4 11257 B10R1.27 O=C(CO)NC1CCCC1 240690a_100000211070_100000210174 [0,1,0,1,0,0|1,0,0]=3 11258 B10R1.27 O=C(CO)NC1CCCC1 527a_100000211070_100000210174 [0,1,0,1,0,0|1,0,0]=3 11259 B10R1.27 O=C(CO)N[C@@H]1CCOC1 240690a_200015188469_100000210174 [0,1,0,1,0,0|2,0,0]=4 11260 B10R1.27 O=C(CO)N[C@@H]1CCOC1 527a_200015188469_100000210174 [0,1,0,1,0,0|2,0,0]=4 11261 B10R1.27 O=C(CO)N[C@H]1CCOC1 240690a_100015188467_100000210174 [0,1,0,1,0,0|2,0,0]=4 11262 B10R1.27 O=C(CO)N[C@H]1CCOC1 527a_100015188467_100000210174 [0,1,0,1,0,0|2,0,0]=4 11263 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,0,1,0,0|2,0,0]=4 11264 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,0,1,0,0|2,0,0]=4 11265 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,0,1,0,0|2,0,0]=4 11266 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,0,1,0,0|2,0,0]=4 11267 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,0,1,0,0|2,0,0]=4 11268 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,1,0,1,0,0|2,0,0]=4 11269 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,1,0,1,0,0|2,0,0]=4 11270 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,1,0,1,0,0|2,0,0]=4 11271 B10R1.99 CCCN1CC1C(=O)OC 2230a_200009830135_100000210303 [0,1,0,1,0,0|1,0,0]=3 11272 B10R1.99 COC(=O)C1CN1CCF 2230a_200009830135_100011217306 [0,1,0,1,0,0|2,0,0]=4 11273 B10R1.99 COC(=O)C1CN1CCO 2230a_200009830135_100000211926 [0,1,0,1,0,0|2,0,0]=4 11274 B10R1.99 COC(=O)C1CN1CSC 2230a_200009830135_100011218213 [0,1,0,1,0,0|2,0,0]=4 11275 B10R1.99 COCN1CC1C(=O)OC 2230a_200009830135_100000766300 [0,1,0,1,0,0|2,0,0]=4 11276 B10R1.149 C=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_200121576911 [0,1,0,1,0,0|2,0,0]=4 11277 B10R1.149 C=CC(=O)N1CCC[C@H]1C 240690a_100015189458_200121576911 [0,1,0,1,0,0|2,0,0]=4 11278 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [0,1,0,1,0,0|1,0,0]=3 11279 B10R1.149 CC1SCCN1C(=O)CO 240690a_200011216479_100000210174 [0,1,0,1,0,0|2,0,0]=4 11280 B10R1.149 CC1SCCN1C(=O)CO 527a_200011216479_100000210174 [0,1,0,1,0,0|2,0,0]=4 11281 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [0,1,0,1,0,0|1,0,0]=3 11282 B10R1.149 CCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210414 [0,1,0,1,0,0|2,0,0]=4 11283 B10R1.149 CCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210414 [0,1,0,1,0,0|2,0,0]=4 11284 B10R1.149 CCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210414 [0,1,0,1,0,0|2,0,0]=4 11285 B10R1.149 CCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210414 [0,1,0,1,0,0|2,0,0]=4 11286 B10R1.149 CCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210414 [0,1,0,1,0,0|2,0,0]=4 11287 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [0,1,0,1,0,0|2,0,0]=4 11288 B10R1.149 CN1CCC[C@H]1C(=O)CF 1458a_100009816429_100015361967 [0,1,0,1,0,0|2,0,0]=4 11289 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [0,1,0,1,0,0|1,0,0]=3 11290 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [0,1,0,1,0,0|1,0,0]=3 11291 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [0,1,0,1,0,0|1,0,0]=3 11292 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [0,1,0,1,0,0|1,0,0]=3 11293 B10R1.149 CNC(=O)N1CCC[C@@H]1C 2708a_100102657272_100020605311 [0,1,0,1,0,0|2,0,0]=4 11294 B10R1.149 CNC(=O)N1CCC[C@@H]1C 273464a_100102657272_100020605311 [0,1,0,1,0,0|2,0,0]=4 11295 B10R1.149 CNC(=O)N1CCC[C@H]1C 2708a_100102657272_100015189458 [0,1,0,1,0,0|2,0,0]=4 11296 B10R1.149 CNC(=O)N1CCC[C@H]1C 273464a_100102657272_100015189458 [0,1,0,1,0,0|2,0,0]=4 11297 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [0,1,0,1,0,0|2,0,0]=4 11298 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [0,1,0,1,0,0|2,0,0]=4 11299 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [0,1,0,1,0,0|2,0,0]=4 11300 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [0,1,0,1,0,0|2,0,0]=4 11301 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [0,1,0,1,0,0|2,0,0]=4 11302 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [0,1,0,1,0,0|2,0,0]=4 11303 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [0,1,0,1,0,0|2,0,0]=4 11304 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [0,1,0,1,0,0|2,0,0]=4 11305 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [0,1,0,1,0,0|2,0,0]=4 11306 B10R1.149 COC(=O)C1CSCN1C 269982a_200000724679_200000210301 [0,1,0,1,0,0|2,0,0]=4 11307 B10R1.149 COC(=O)C1CSCN1[13CH3] 269982a_200000724679_200025704644 [0,1,0,1,0,0|2,0,0]=4 11308 B10R1.149 COC(=O)C1SCCN1C 2230a_100015296106_200000210301 [0,1,0,1,0,0|2,0,0]=4 11309 B10R1.149 COC(=O)C1SCCN1C 269982a_100015296106_200000210301 [0,1,0,1,0,0|2,0,0]=4 11310 B10R1.149 COC(=O)C1SCCN1[13CH3] 2230a_100015296106_200025704644 [0,1,0,1,0,0|2,0,0]=4 11311 B10R1.149 COC(=O)C1SCCN1[13CH3] 269982a_100015296106_200025704644 [0,1,0,1,0,0|2,0,0]=4 11312 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [0,1,0,1,0,0|1,0,0]=3 11313 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [0,1,0,1,0,0|1,0,0]=3 11314 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [0,1,0,1,0,0|1,0,0]=3 11315 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [0,1,0,1,0,0|1,0,0]=3 11316 B10R1.149 C[C@@H]1CCCN1C(=O)CO 240690a_100015189458_100000210174 [0,1,0,1,0,0|1,0,0]=3 11317 B10R1.149 C[C@@H]1CCCN1C(=O)CO 527a_100015189458_100000210174 [0,1,0,1,0,0|1,0,0]=3 11318 B10R1.149 C[C@H]1CCCN1C(=O)CO 240690a_100020605311_100000210174 [0,1,0,1,0,0|1,0,0]=3 11319 B10R1.149 C[C@H]1CCCN1C(=O)CO 527a_100020605311_100000210174 [0,1,0,1,0,0|1,0,0]=3 11320 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [0,1,0,1,0,0|1,0,1]=4 11321 B10R1.151 C=CC(=O)NCC1CCC1 1626a_100000738700_100000185746 [0,1,0,1,0,0|2,0,0]=4 11322 B10R1.151 C=CC(=O)NCC1CCC1 240690a_100000738700_200121576911 [0,1,0,1,0,0|2,0,0]=4 11323 B10R1.151 CCC(=O)COC1CCC1 34a_100000725409_100000749161 [0,1,0,1,0,0|2,0,0]=4 11324 B10R1.151 CCC(=O)CSC1CCC1 62a_100000747405_100000749161 [0,1,0,1,0,0|2,0,0]=4 11325 B10R1.151 CCC(=O)NCC1CCC1 11a_100000738700_100000210414 [0,1,0,1,0,0|2,0,0]=4 11326 B10R1.151 CCC(=O)NCC1CCC1 1626a_100000738700_100000210414 [0,1,0,1,0,0|2,0,0]=4 11327 B10R1.151 CCC(=O)NCC1CCC1 240690a_100000738700_100000210414 [0,1,0,1,0,0|2,0,0]=4 11328 B10R1.151 CCC(=O)NCC1CCC1 527a_100000738700_100000210414 [0,1,0,1,0,0|2,0,0]=4 11329 B10R1.151 CNC(=O)CCN1CCC1 269982a_100000754969_100000737683 [0,1,0,1,0,0|2,0,0]=4 11330 B10R1.151 CNC(=O)CNC1CCC1 2230a_100000749019_100000183359 [0,1,0,1,0,0|2,0,0]=4 11331 B10R1.151 CNC(=O)CNC1CCC1 270004a_100000693194_100000241760 [0,1,0,1,0,0|2,0,0]=4 11332 B10R1.151 CNC(=O)CNC1CCC1 34a_100000749019_100000183359 [0,1,0,1,0,0|2,0,0]=4 11333 B10R1.151 CNC(=O)COC1CCC1 34a_100000748187_100000183359 [0,1,0,1,0,0|2,0,0]=4 11334 B10R1.151 CNC(=O)COC1CCC1 34a_100000750040_100000749161 [0,1,0,1,0,0|2,0,0]=4 11335 B10R1.151 CNC(=O)CSC1CCC1 62a_100000183359_100000749161 [0,1,0,1,0,0|2,0,0]=4 11336 B10R1.151 CNC(=O)NCC1CCC1 2708a_100000738700_106832991635 [0,1,0,1,0,0|2,0,0]=4 11337 B10R1.151 CNC(=O)NCC1CCC1 2708a_100102657272_100000738700 [0,1,0,1,0,0|2,0,0]=4 11338 B10R1.151 CNC(=O)NCC1CCC1 273464a_100000738700_100102657272 [0,1,0,1,0,0|2,0,0]=4 11339 B10R1.151 CNC(=O)NCC1CCC1 273464a_100102657272_100000738700 [0,1,0,1,0,0|2,0,0]=4 11340 B10R1.151 CNC(=O)NCC1CCC1 512a_100000738700_100102657272 [0,1,0,1,0,0|2,0,0]=4 11341 B10R1.151 CNC(=O)NCC1CCC1 512a_106832991638_100000738700 [0,1,0,1,0,0|2,0,0]=4 11342 B10R1.151 COC(=O)CCN1CCC1 269982a_100000754969_100000204255 [0,1,0,1,0,0|1,0,0]=3 11343 B10R1.151 COC(=O)CNC1CCC1 2230a_100000749019_100000747449 [0,1,0,1,0,0|1,0,0]=3 11344 B10R1.151 COC(=O)CNC1CCC1 34a_100000749019_100000747449 [0,1,0,1,0,0|1,0,0]=3 11345 B10R1.151 COC(=O)CNC1COC1 2230a_100016991112_100000747449 [0,1,0,1,0,0|2,0,0]=4 11346 B10R1.151 COC(=O)COC1CCC1 34a_100000748187_100000747449 [0,1,0,1,0,0|1,0,0]=3 11347 B10R1.151 COC(=O)COC1CSC1 7a_100000072292_100000747449 [0,1,0,1,0,0|2,0,0]=4 11348 B10R1.151 COC(=O)CSC1CCC1 62a_100000747449_100000749161 [0,1,0,1,0,0|1,0,0]=3 11349 B10R1.151 COC(=O)CSC1COC1 62a_100000747449_100009818527 [0,1,0,1,0,0|2,0,0]=4 11350 B10R1.151 O=C(CO)NCC1CCC1 240690a_100000738700_100000210174 [0,1,0,1,0,0|1,0,0]=3 11351 B10R1.151 O=C(CO)NCC1CCC1 527a_100000738700_100000210174 [0,1,0,1,0,0|1,0,0]=3 11352 B10R1.151 O=C(CO)NCC1COC1 240690a_100015281925_100000210174 [0,1,0,1,0,0|2,0,0]=4 11353 B10R1.151 O=C(CO)NCC1COC1 527a_100015281925_100000210174 [0,1,0,1,0,0|2,0,0]=4 11354 B10R1.151 O=C(CO)NC[C@@H]1CCO1 240690a_100020831831_100000210174 [0,1,0,1,0,0|2,0,0]=4 11355 B10R1.151 O=C(CO)NC[C@@H]1CCO1 527a_100020831831_100000210174 [0,1,0,1,0,0|2,0,0]=4 11356 B10R1.151 O=C(CO)NNC1CCC1 22a_100000736358_100000210174 [0,1,0,1,0,0|2,0,0]=4 11357 B10R1.161 COC1CCCCCCC1 34a_100000210054_200000210301 [0,1,0,1,0,0|1,0,1]=4 11358 B10R1.161 COC1CCCCCCC1 7a_100000210054_200000210301 [0,1,0,1,0,0|1,0,1]=4 11359 B10R1.161 [13CH3]OC1CCCCCCC1 34a_100000210054_200025704644 [0,1,0,1,0,0|1,0,1]=4 11360 B10R1.161 [13CH3]OC1CCCCCCC1 7a_100000210054_200025704644 [0,1,0,1,0,0|1,0,1]=4 11361 B10R1.172 CCC1CCCC(C1)OC 7a_100011985506_200000210301 [0,1,0,1,0,0|1,0,1]=4 11362 B10R1.172 CCC1CCCC(C1)O[13CH3] 7a_100011985506_200025704644 [0,1,0,1,0,0|1,0,1]=4 11363 B10R1.175 CCN1CC[C@H]1C(=O)OC 2230a_102516456887_100000210202 [0,1,0,1,0,0|1,0,0]=3 11364 B10R1.175 CCN1CC[C@H]1C(=O)OC 269982a_102516456887_100000204670 [0,1,0,1,0,0|1,0,0]=3 11365 B10R1.175 COC(=O)[C@@H]1CCN1CF 269982a_102516456887_100015361967 [0,1,0,1,0,0|2,0,0]=4 11366 B10R1.232 CC1(CCCCCC1)O[13CH3] 34a_100000708895_200025704644 [0,1,0,1,0,0|1,0,1]=4 11367 B10R1.232 CC1(CCCCCC1)O[13CH3] 7a_100000708895_200025704644 [0,1,0,1,0,0|1,0,1]=4 11368 B10R1.232 COC1(CCCCCC1)C 34a_100000708895_200000210301 [0,1,0,1,0,0|1,0,1]=4 11369 B10R1.232 COC1(CCCCCC1)C 7a_100000708895_200000210301 [0,1,0,1,0,0|1,0,1]=4 11370 B10R1.463 CCC(=O)CN1CCC1C 269982a_100000755817_100000747405 [0,1,0,1,0,0|2,0,0]=4 11371 B10R1.463 CNC(=O)CN1CCC1C 269982a_100000755817_100000183359 [0,1,0,1,0,0|2,0,0]=4 11372 B10R1.463 CNC(=O)CN1CCC1C 34a_100000755817_100000183359 [0,1,0,1,0,0|2,0,0]=4 11373 B10R1.463 COC(=O)CN1CCC1C 269982a_100000755817_100000747449 [0,1,0,1,0,0|1,0,0]=3 11374 B10R1.463 COC(=O)CN1CCC1C 34a_100000755817_100000747449 [0,1,0,1,0,0|1,0,0]=3 11375 B10R1.23 CC(=O)C(C)N1CCCC1 1458a_100025750167_200000210301 [0,1,0,1,0,0|2,0,0]=4 11376 B10R1.23 CC(=O)C(C)N1CCCC1 2230a_100000188435_100009814033 [0,1,0,1,0,0|2,0,0]=4 11377 B10R1.23 CC(=O)C(C)N1CCCC1 269982a_100000188435_100009814033 [0,1,0,1,0,0|2,0,0]=4 11378 B10R1.23 CC(=O)N(C)C1CCCC1 11a_100000207505_100015343762 [0,1,0,1,0,0|2,0,0]=4 11379 B10R1.23 CC(=O)N(C)C1CCCC1 1626a_100000207505_100015343762 [0,1,0,1,0,0|2,0,0]=4 11380 B10R1.23 CC(=O)N(C)C1CCCC1 240690a_100000207505_100015343762 [0,1,0,1,0,0|2,0,0]=4 11381 B10R1.23 CC(=O)N(C)C1CCCC1 527a_100000207505_100103153847 [0,1,0,1,0,0|2,0,0]=4 11382 B10R1.23 CC(C(=O)N)N1CCCC1 2230a_100000188435_100000702099 [0,1,0,1,0,0|2,0,0]=4 11383 B10R1.23 CC(C(=O)N)N1CCCC1 269982a_100000188435_100000184083 [0,1,0,1,0,0|2,0,0]=4 11384 B10R1.23 CC(C(=O)[13CH3])N1CCCC1 1458a_100025750167_200025704644 [0,1,0,1,0,0|2,0,0]=4 11385 B10R1.23 NC(=O)C(F)N1CCCC1 2230a_100000188435_100009813875 [0,1,0,1,0,0|2,0,0]=4 11386 B10R1.23 NC(=O)C(F)N1CCCC1 269982a_100000188435_100009813875 [0,1,0,1,0,0|2,0,0]=4 11387 B10R1.93 CCCN1CC(C1)C(=O)N 34a_100025753142_100000210303 [0,1,0,1,0,0|2,0,0]=4 11388 B10R1.93 CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210202 [0,1,0,1,0,0|1,0,0]=3 11389 B10R1.93 COCC1CC(C1)C(=O)C 1458a_100000138301_200000210301 [0,1,0,1,0,0|2,0,0]=4 11390 B10R1.93 COCC1CC(C1)C(=O)[13CH3] 1458a_100000138301_200025704644 [0,1,0,1,0,0|2,0,0]=4 11391 B10R1.93 O=C(O)[C@H]1C[C@H](C1)NCF 269956a_100000738708_100015361967 [0,1,0,1,0,0|2,0,0]=4 11392 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,1,0,0|1,0,0]=3 11393 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,1,0,1,0,0|1,0,0]=3 11394 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,1,0,1,0,0|2,0,0]=4 11395 B10R1.113 CC(=O)N1CCCC(C1)F 11a_100000697950_100015343762 [0,1,0,1,0,0|2,0,0]=4 11396 B10R1.113 CC(=O)N1CCCC(C1)F 1626a_100000697950_100015343762 [0,1,0,1,0,0|2,0,0]=4 11397 B10R1.113 CC(=O)N1CCCC(C1)F 240690a_100000697950_100015343762 [0,1,0,1,0,0|2,0,0]=4 11398 B10R1.113 CC(=O)N1CCCC(C1)F 527a_100000697950_100103153847 [0,1,0,1,0,0|2,0,0]=4 11399 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,1,0,1,0,0|2,0,0]=4 11400 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,1,0,1,0,0|2,0,0]=4 11401 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,1,0,1,0,0|2,0,0]=4 11402 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,1,0,1,0,0|2,0,0]=4 11403 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,1,0,1,0,0|2,0,0]=4 11404 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,1,0,1,0,0|1,0,1]=4 11405 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,1,0,0|1,0,0]=3 11406 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,1,0,1,0,0|2,0,0]=4 11407 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,1,0,1,0,0|2,0,0]=4 11408 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,1,0,1,0,0|2,0,0]=4 11409 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,1,0,1,0,0|2,0,0]=4 11410 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,1,0,1,0,0|1,0,0]=3 11411 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,1,0,1,0,0|1,0,1]=4 11412 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,1,0,1,0,0|2,0,0]=4 11413 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,1,0,1,0,0|2,0,0]=4 11414 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,1,0,1,0,0|2,0,0]=4 11415 B10R1.116 CC(=O)C(C)N1CCC1C 269982a_100000755817_100009814033 [0,1,0,1,0,0|2,0,0]=4 11416 B10R1.116 CC1CCN1C(C)C(=O)N 269982a_100000755817_100000184083 [0,1,0,1,0,0|2,0,0]=4 11417 B10R1.116 CC1CCN1C(C)C(=O)N 34a_100000755817_100000702099 [0,1,0,1,0,0|2,0,0]=4 11418 B10R1.116 CC1CCN1C(F)C(=O)N 269982a_100000755817_100009813875 [0,1,0,1,0,0|2,0,0]=4 11419 B10R1.116 CC1CCN1C(F)C(=O)N 34a_100000755817_100009813875 [0,1,0,1,0,0|2,0,0]=4 11420 B10R1.116 CC1CCN1C(F)C(=O)[O-] 34a_100000755817_100020610796 [0,1,0,1,0,0|1,0,1]=4 11421 B10R1.204 CC(=O)C(C)NC1CCC1 2230a_100000749019_100009814033 [0,1,0,1,0,0|2,0,0]=4 11422 B10R1.204 CC(=O)C(C)OC1CCC1 34a_100000212229_100000749161 [0,1,0,1,0,0|2,0,0]=4 11423 B10R1.204 CC(=O)C(C)SC1CCC1 62a_100009814033_100000749161 [0,1,0,1,0,0|2,0,0]=4 11424 B10R1.204 CC(=O)N(C)CC1CCC1 11a_200000750244_100015343762 [0,1,0,1,0,0|2,0,0]=4 11425 B10R1.204 CC(=O)N(C)CC1CCC1 1626a_200000750244_100015343762 [0,1,0,1,0,0|2,0,0]=4 11426 B10R1.204 CC(=O)N(C)CC1CCC1 240690a_200000750244_100015343762 [0,1,0,1,0,0|2,0,0]=4 11427 B10R1.204 CC(=O)N(C)CC1CCC1 527a_200000750244_100103153847 [0,1,0,1,0,0|2,0,0]=4 11428 B10R1.204 CC(NC1CCC1)C(=O)N 2230a_100000749019_100000702099 [0,1,0,1,0,0|2,0,0]=4 11429 B10R1.204 CC(NC1CCC1)C(=O)N 34a_100000749019_100000702099 [0,1,0,1,0,0|2,0,0]=4 11430 B10R1.204 CC(OC1CCC1)C(=O)N 34a_100000748187_100000702099 [0,1,0,1,0,0|2,0,0]=4 11431 B10R1.204 CC(SC1CCC1)C(=O)N 62a_100000702099_100000749161 [0,1,0,1,0,0|2,0,0]=4 11432 B10R1.204 C[C@@H](NC1CCC1)C(=O)N 270004a_100000119354_100000241760 [0,1,0,1,0,0|2,0,0]=4 11433 B10R1.204 C[C@@H](NC1CCC1)C(=O)N 34a_100000119354_100000749161 [0,1,0,1,0,0|2,0,0]=4 11434 B10R1.204 C[C@@H](OC1CCC1)C(=O)N 34a_100000731257_100000749161 [0,1,0,1,0,0|2,0,0]=4 11435 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,1,0,1,0,0|1,0,0]=3 11436 B10R1.204 C[C@H](NC1COC1)C(=O)O 269956a_100000743915_100009818527 [0,1,0,1,0,0|2,0,0]=4 11437 B10R1.204 NC(=O)C(F)NC1CCC1 2230a_100000749019_100009813875 [0,1,0,1,0,0|2,0,0]=4 11438 B10R1.204 NC(=O)C(F)NC1CCC1 34a_100000749019_100009813875 [0,1,0,1,0,0|2,0,0]=4 11439 B10R1.204 NC(=O)C(F)OC1CCC1 34a_100000748187_100009813875 [0,1,0,1,0,0|2,0,0]=4 11440 B10R1.204 NC(=O)C(F)SC1CCC1 62a_100009813875_100000749161 [0,1,0,1,0,0|2,0,0]=4 11441 B10R1.204 O=C([O-])C(F)NC1CCC1 34a_100000749019_100020610796 [0,1,0,1,0,0|1,0,1]=4 11442 B10R1.204 O=C([O-])C(F)OC1CCC1 34a_100000748187_100020610796 [0,1,0,1,0,0|1,0,1]=4 11443 B10R1.204 O=C([O-])C(F)SC1CCC1 62a_100020610796_100000749161 [0,1,0,1,0,0|1,0,1]=4 11444 B10R1.205 CC(=O)C(C)COC1CC1 34a_100000032740_100000211595 [0,1,0,1,0,0|2,0,0]=4 11445 B10R1.205 CC(=O)C(C)NCC1CC1 2230a_100000735609_100009814033 [0,1,0,1,0,0|2,0,0]=4 11446 B10R1.205 CC(=O)C(C)OCC1CC1 34a_100000212229_100000742324 [0,1,0,1,0,0|2,0,0]=4 11447 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100000756562_100009814033 [0,1,0,1,0,0|2,0,0]=4 11448 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100009814033_100000742324 [0,1,0,1,0,0|2,0,0]=4 11449 B10R1.205 CC(CNC1CC1)C(=O)O 269956a_100000749485_100000211595 [0,1,0,1,0,0|1,0,0]=3 11450 B10R1.205 CC(NCC1CC1)C(=O)N 2230a_100000735609_100000702099 [0,1,0,1,0,0|2,0,0]=4 11451 B10R1.205 CC(NCC1CC1)C(=O)N 34a_100000735609_100000702099 [0,1,0,1,0,0|2,0,0]=4 11452 B10R1.205 CC(OCC1CC1)C(=O)N 34a_100000211283_100000702099 [0,1,0,1,0,0|2,0,0]=4 11453 B10R1.205 CC(SCC1CC1)C(=O)N 62a_100000702099_100000742324 [0,1,0,1,0,0|2,0,0]=4 11454 B10R1.205 CC(SCC1CC1)C(=O)N 62a_100000756562_100000702099 [0,1,0,1,0,0|2,0,0]=4 11455 B10R1.205 C[C@@H](NCC1CC1)C(=O)N 2230a_100000119354_100000742324 [0,1,0,1,0,0|2,0,0]=4 11456 B10R1.205 C[C@@H](NCC1CC1)C(=O)N 34a_100000119354_100000742324 [0,1,0,1,0,0|2,0,0]=4 11457 B10R1.205 C[C@@H](OCC1CC1)C(=O)N 34a_100000731257_100000742324 [0,1,0,1,0,0|2,0,0]=4 11458 B10R1.205 C[C@@H](OCC1CC1)C(=O)N 7a_100000731257_100000742324 [0,1,0,1,0,0|2,0,0]=4 11459 B10R1.205 C[C@H](NCC1CC1)C(=O)O 269956a_100000743915_100000742324 [0,1,0,1,0,0|1,0,0]=3 11460 B10R1.205 C[C@H](NCC1CO1)C(=O)O 269956a_100000743915_102125554688 [0,1,0,1,0,0|2,0,0]=4 11461 B10R1.205 C[C@H](NCC1CS1)C(=O)O 269956a_100000743915_100000031435 [0,1,0,1,0,0|2,0,0]=4 11462 B10R1.205 C[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000743915_100000745022 [0,1,0,1,0,0|2,0,0]=4 11463 B10R1.205 C[C@H](OCC1CC1)C(=O)[O-] 7a_217856618621_100000742324 [0,1,0,1,0,0|1,0,1]=4 11464 B10R1.205 NC(=O)C(F)NCC1CC1 2230a_100000735609_100009813875 [0,1,0,1,0,0|2,0,0]=4 11465 B10R1.205 NC(=O)C(F)NCC1CC1 34a_100000735609_100009813875 [0,1,0,1,0,0|2,0,0]=4 11466 B10R1.205 NC(=O)C(F)OCC1CC1 34a_100000211283_100009813875 [0,1,0,1,0,0|2,0,0]=4 11467 B10R1.205 NC(=O)C(F)SCC1CC1 62a_100000756562_100009813875 [0,1,0,1,0,0|2,0,0]=4 11468 B10R1.205 NC(=O)C(F)SCC1CC1 62a_100009813875_100000742324 [0,1,0,1,0,0|2,0,0]=4 11469 B10R1.205 NC(=O)[C@@H](N)COC1CC1 34a_100000729942_100000211595 [0,1,0,1,0,0|2,0,0]=4 11470 B10R1.205 O=C(O)C(F)CNC1CC1 269956a_100000084737_100000211595 [0,1,0,1,0,0|1,0,0]=3 11471 B10R1.205 O=C([O-])C(F)NCC1CC1 34a_100000735609_100020610796 [0,1,0,1,0,0|1,0,1]=4 11472 B10R1.205 O=C([O-])C(F)OCC1CC1 34a_100000211283_100020610796 [0,1,0,1,0,0|1,0,1]=4 11473 B10R1.205 O=C([O-])C(F)SCC1CC1 62a_100000756562_100020610796 [0,1,0,1,0,0|1,0,1]=4 11474 B10R1.205 O=C([O-])C(F)SCC1CC1 62a_100020610796_100000742324 [0,1,0,1,0,0|1,0,1]=4 11475 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,1,0,1,0,0|1,0,0]=3 11476 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,1,0,1,0,0|1,0,0]=3 11477 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,1,0,1,0,0|1,0,0]=3 11478 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,1,0,1,0,0|1,0,0]=3 11479 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,1,0,1,0,0|1,0,0]=3 11480 B10R1.363 CC(=O)C1(CCOCC1)C 1458a_100000749465_200000210301 [0,1,0,1,0,0|2,0,0]=4 11481 B10R1.363 CC(=O)C1(CCOCC1)F 1458a_100009845733_200000210301 [0,1,0,1,0,0|2,0,0]=4 11482 B10R1.363 CC(=O)C1(CCOCC1)O 1458a_100000751969_200000210301 [0,1,0,1,0,0|2,0,0]=4 11483 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,1,0,1,0,0|1,0,0]=3 11484 B10R1.363 CC1(CCOCC1)C(=O)[13CH3] 1458a_100000749465_200025704644 [0,1,0,1,0,0|2,0,0]=4 11485 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,1,0,1,0,0|1,0,0]=3 11486 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,1,0,1,0,0|1,0,0]=3 11487 B10R1.363 [13CH3]C(=O)C1(CCOCC1)F 1458a_100009845733_200025704644 [0,1,0,1,0,0|2,0,0]=4 11488 B10R1.363 [13CH3]C(=O)C1(CCOCC1)O 1458a_100000751969_200025704644 [0,1,0,1,0,0|2,0,0]=4 11489 B10R1.59 CC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_200000210301 [0,1,0,1,0,0|2,0,0]=4 11490 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200000210301 [0,1,0,1,0,0|2,0,0]=4 11491 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200000210301 [0,1,0,1,0,0|2,0,0]=4 11492 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)[13CH3])O 1458a_100015191551_200025704644 [0,1,0,1,0,0|2,0,0]=4 11493 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200000210301 [0,1,0,1,0,0|2,0,0]=4 11494 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200000210301 [0,1,0,1,0,0|2,0,0]=4 11495 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200000210301 [0,1,0,1,0,0|2,0,0]=4 11496 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [0,1,0,1,0,0|1,0,0]=3 11497 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [0,1,0,1,0,0|1,0,0]=3 11498 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200025704644 [0,1,0,1,0,0|2,0,0]=4 11499 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200025704644 [0,1,0,1,0,0|2,0,0]=4 11500 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200025704644 [0,1,0,1,0,0|2,0,0]=4 11501 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200025704644 [0,1,0,1,0,0|2,0,0]=4 11502 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200025704644 [0,1,0,1,0,0|2,0,0]=4 11503 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [0,1,0,1,0,0|1,0,0]=3 11504 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [0,1,0,1,0,0|1,0,0]=3 11505 B10R1.82 CC(=O)CCN1CC(C1)C 269982a_100000702820_100000053229 [0,1,0,1,0,0|2,0,0]=4 11506 B10R1.82 CC(=O)CCN1CC(C1)F 269982a_100000690557_100000053229 [0,1,0,1,0,0|2,0,0]=4 11507 B10R1.82 CC(=O)CCN1CC(C1)O 269982a_100000749847_100000053229 [0,1,0,1,0,0|2,0,0]=4 11508 B10R1.82 CC(=O)NCC1CC(C1)O 11a_100016992100_100015343762 [0,1,0,1,0,0|2,0,0]=4 11509 B10R1.82 CC(=O)NCC1CC(C1)O 240690a_100016992100_100015343762 [0,1,0,1,0,0|2,0,0]=4 11510 B10R1.82 CC(C)CSC1CC(=O)C1 62a_100009894365_100000210760 [0,1,0,1,0,0|2,0,0]=4 11511 B10R1.82 CC(C)NCC1CC(=O)C1 2230a_100138425928_100009874392 [0,1,0,1,0,0|2,0,0]=4 11512 B10R1.82 CC(C)OCC1CC(=O)C1 34a_100000101936_100000210206 [0,1,0,1,0,0|2,0,0]=4 11513 B10R1.82 CC(C)SCC1CC(=O)C1 62a_100000210206_100009874392 [0,1,0,1,0,0|2,0,0]=4 11514 B10R1.82 CC(C)SCC1CC(=O)C1 62a_100009874392_100000210206 [0,1,0,1,0,0|2,0,0]=4 11515 B10R1.82 CC(O)CSC1CC(=O)C1 62a_100009894365_100011218427 [0,1,0,1,0,0|2,0,0]=4 11516 B10R1.82 CC1CN(C1)CCC(=O)N 2230a_100000702820_100000744528 [0,1,0,1,0,0|2,0,0]=4 11517 B10R1.82 CC1CN(C1)CCC(=O)N 269982a_100000702820_100000744528 [0,1,0,1,0,0|2,0,0]=4 11518 B10R1.82 CC1CN(C1)CCC(=O)N 34a_100000702820_100000731001 [0,1,0,1,0,0|2,0,0]=4 11519 B10R1.82 C[C@@H](O)CSC1CC(=O)C1 62a_100009894365_100009817552 [0,1,0,1,0,0|2,0,0]=4 11520 B10R1.82 NC(=O)CCN1CC(C1)F 2230a_100000690557_100000744528 [0,1,0,1,0,0|2,0,0]=4 11521 B10R1.82 NC(=O)CCN1CC(C1)F 269982a_100000690557_100000744528 [0,1,0,1,0,0|2,0,0]=4 11522 B10R1.82 NC(=O)CCN1CC(C1)F 34a_100000690557_100000731001 [0,1,0,1,0,0|2,0,0]=4 11523 B10R1.82 NC(=O)CCN1CC(C1)O 269982a_100000749847_100000744528 [0,1,0,1,0,0|2,0,0]=4 11524 B10R1.82 NC(=O)CNC1CC(C1)F 2230a_100016993743_100000747473 [0,1,0,1,0,0|2,0,0]=4 11525 B10R1.82 NC(=O)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000747473 [0,1,0,1,0,0|2,0,0]=4 11526 B10R1.82 O=C(O)CNC1CC(=O)C1 269956a_100016091260_100009894365 [0,1,0,1,0,0|1,0,1]=4 11527 B10R1.140 CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210303 [0,1,0,1,0,0|1,0,1]=4 11528 B10R1.140 CCCN(C)C1CC(=O)C1 269982a_100000747261_100009894365 [0,1,0,1,0,0|2,0,0]=4 11529 B10R1.211 CC(=O)CCN(C)C1CC1 269982a_100000226674_100000053229 [0,1,0,1,0,0|2,0,0]=4 11530 B10R1.211 CC(=O)COC(C)C1CC1 1458a_200000137917_200000210301 [0,1,0,1,0,0|2,0,0]=4 11531 B10R1.211 CC(=O)NCC(O)C1CC1 11a_100000751198_100015343762 [0,1,0,1,0,0|2,0,0]=4 11532 B10R1.211 CC(=O)NCC(O)C1CC1 240690a_100000751198_100015343762 [0,1,0,1,0,0|2,0,0]=4 11533 B10R1.211 CC(=O)NCC(O)C1CC1 527a_100000751198_100103153847 [0,1,0,1,0,0|2,0,0]=4 11534 B10R1.211 CC(NCC(=O)N)C1CC1 2230a_100000700016_100000747473 [0,1,0,1,0,0|2,0,0]=4 11535 B10R1.211 CC(NCC(=O)N)C1CC1 34a_100000700016_100000187820 [0,1,0,1,0,0|2,0,0]=4 11536 B10R1.211 CC(NCC(=O)[O-])C1CC1 34a_100000700016_100020667443 [0,1,0,1,0,0|1,0,1]=4 11537 B10R1.211 CC(OCC(=O)N)C1CC1 34a_100000744524_100000187820 [0,1,0,1,0,0|2,0,0]=4 11538 B10R1.211 CC(OCC(=O)N)C1CC1 7a_100000744524_100000187820 [0,1,0,1,0,0|2,0,0]=4 11539 B10R1.211 CC(OCC(=O)[13CH3])C1CC1 1458a_200000137917_200025704644 [0,1,0,1,0,0|2,0,0]=4 11540 B10R1.211 CC(OCC(=O)[O-])C1CC1 34a_100000744524_100020667443 [0,1,0,1,0,0|1,0,1]=4 11541 B10R1.211 CN(CCC(=O)N)C1CC1 2230a_100000226674_100000744528 [0,1,0,1,0,0|2,0,0]=4 11542 B10R1.211 CN(CCC(=O)N)C1CC1 269982a_100000226674_100000744528 [0,1,0,1,0,0|2,0,0]=4 11543 B10R1.353 CC(=O)NCC1(CCC1)C 11a_100000706607_100015343762 [0,1,0,1,0,0|2,0,0]=4 11544 B10R1.353 CC(=O)NCC1(CCC1)C 1626a_100000706607_100015343762 [0,1,0,1,0,0|2,0,0]=4 11545 B10R1.353 CC(=O)NCC1(CCC1)C 240690a_100000706607_100015343762 [0,1,0,1,0,0|2,0,0]=4 11546 B10R1.353 CC(=O)NCC1(CCC1)C 527a_100000706607_100103153847 [0,1,0,1,0,0|2,0,0]=4 11547 B10R1.353 CC(=O)NCC1(CCC1)O 11a_100000752638_100015343762 [0,1,0,1,0,0|2,0,0]=4 11548 B10R1.353 CC(=O)NCC1(CCC1)O 1626a_100000752638_100015343762 [0,1,0,1,0,0|2,0,0]=4 11549 B10R1.353 CC(=O)NCC1(CCC1)O 240690a_100000752638_100015343762 [0,1,0,1,0,0|2,0,0]=4 11550 B10R1.353 CC(=O)NCC1(CCC1)O 527a_100000752638_100103153847 [0,1,0,1,0,0|2,0,0]=4 11551 B10R1.353 CC1(CCC1)NCC(=O)N 2230a_100000692455_100000747473 [0,1,0,1,0,0|2,0,0]=4 11552 B10R1.353 CC1(CCC1)NCC(=O)N 34a_100000692455_100000187820 [0,1,0,1,0,0|2,0,0]=4 11553 B10R1.353 CC1(CCC1)NCC(=O)[O-] 34a_100000692455_100020667443 [0,1,0,1,0,0|1,0,1]=4 11554 B10R1.353 CC1(CCC1)OCC(=O)N 34a_100000759064_100000187820 [0,1,0,1,0,0|2,0,0]=4 11555 B10R1.353 CC1(CCC1)OCC(=O)N 7a_100000759064_100000187820 [0,1,0,1,0,0|2,0,0]=4 11556 B10R1.353 CC1(CCC1)OCC(=O)[O-] 34a_100000759064_100020667443 [0,1,0,1,0,0|1,0,1]=4 11557 B10R1.128 CC(=O)N1CCCC1(C)C 11a_100000761399_100015343762 [0,1,0,1,0,0|2,0,0]=4 11558 B10R1.128 CC(=O)N1CCCC1(C)C 1626a_100000761399_100015343762 [0,1,0,1,0,0|2,0,0]=4 11559 B10R1.128 CC(=O)N1CCCC1(C)C 240690a_100000761399_100015343762 [0,1,0,1,0,0|2,0,0]=4 11560 B10R1.128 CC(=O)N1CCCC1(C)C 527a_100000761399_100103153847 [0,1,0,1,0,0|2,0,0]=4 11561 B10R1.128 CC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_200000210301 [0,1,0,1,0,0|2,0,0]=4 11562 B10R1.128 C[N+]1(CCC[C@H]1C(=O)[13CH3])C 1458a_100016991750_200025704644 [0,1,0,1,0,0|2,0,0]=4 11563 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [0,1,0,1,0,0|1,0,0]=3 11564 B10R2.351 CC(=O)C1C2C1COC2 1458a_100000138910_200000210301 [0,0,0,2,0,0|2,0,0]=4 11565 B10R2.351 [13CH3]C(=O)C1C2C1COC2 1458a_100000138910_200025704644 [0,0,0,2,0,0|2,0,0]=4 11566 B10R2.357 CC(=O)N1CC2CC2C1 11a_100000741873_100015343762 [0,0,0,2,0,0|2,0,0]=4 11567 B10R2.357 CC(=O)N1CC2CC2C1 1626a_100000741873_100015343762 [0,0,0,2,0,0|2,0,0]=4 11568 B10R2.357 CC(=O)N1CC2CC2C1 240690a_100000741873_100015343762 [0,0,0,2,0,0|2,0,0]=4 11569 B10R2.357 CC(=O)N1CC2CC2C1 527a_100000741873_100103153847 [0,0,0,2,0,0|2,0,0]=4 11570 B10R2.267 O=C1CC(C1)SC2CC2 62a_100009894365_100000211595 [0,0,0,2,0,0|2,0,0]=4 11571 B10R2.337 O=C1CC(C1)N2CCC2 269982a_100000754969_100009894365 [0,0,0,2,0,0|2,0,0]=4 11572 B10R2.638 CC(=O)C1CC12CCC2 1458a_100000687150_200000210301 [0,0,0,2,0,0|1,0,0]=3 11573 B10R2.638 [13CH3]C(=O)C1CC12CCC2 1458a_100000687150_200025704644 [0,0,0,2,0,0|1,0,0]=3