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|1,0,2]=3 4 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [0,0,0,0,0,0|1,0,2]=3 5 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [0,0,0,0,0,0|1,0,2]=3 7 B8R0.7 C#CCCCOC(C)C 34a_100000212225_100000695029 [0,0,0,0,0,0|1,0,3]=4 8 B8R0.7 C#CCCCOC(C)C 34a_100000215630_100000210206 [0,0,0,0,0,0|1,0,3]=4 9 B8R0.7 C#CCCCOC(C)C 7a_100000215630_100000210206 [0,0,0,0,0,0|1,0,3]=4 10 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.7 C#CCNCOC(=O)C 34a_100000212058_100009813279 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.7 C#CCOCCC(=O)C 1458a_100000070787_100010402529 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.7 C#CCOCCC(=O)C 1458a_100000693358_200000210301 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.7 C#CCOCCC(=O)C 34a_100000759926_100000184674 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.7 C#CCOCCC(=O)C 7a_100000759926_100000038162 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.7 C#CCOCCC(=O)[13CH3] 1458a_100000693358_200025704644 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.7 C#CCOCOC(=O)C 34a_100000210247_100009813279 [0,0,0,0,0,0|1,0,2]=3 18 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [0,0,0,0,0,0|2,0,2]=4 19 B8R0.7 C#CCSCOC(=O)C 62a_100000038162_100000076356 [0,0,0,0,0,0|1,0,2]=3 20 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [0,0,0,0,0,0|1,0,3]=4 21 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [0,0,0,0,0,0|4,0,0]=4 23 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [0,0,0,0,0,0|4,0,0]=4 24 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [0,0,0,0,0,0|4,0,0]=4 25 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,0,0,0,0,0|1,0,0]=1 26 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,0,0,0,0,0|1,0,0]=1 27 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,0,0,0,0,0|1,0,0]=1 28 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [0,0,0,0,0,0|3,0,0]=3 29 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [0,0,0,0,0,0|3,0,0]=3 30 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [0,0,0,0,0,0|3,0,0]=3 31 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [0,0,0,0,0,0|3,0,0]=3 32 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [0,0,0,0,0,0|3,0,0]=3 33 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [0,0,0,0,0,0|3,0,0]=3 34 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,0,0,0,0,0|1,0,0]=1 35 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,0,0,0,0,0|1,0,0]=1 36 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,0,0,0,0,0|1,0,0]=1 37 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,0,0,0,0,0|1,0,0]=1 38 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [0,0,0,0,0,0|2,0,1]=3 39 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [0,0,0,0,0,0|2,0,1]=3 40 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [0,0,0,0,0,0|2,0,1]=3 41 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [0,0,0,0,0,0|2,0,1]=3 42 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [0,0,0,0,0,0|1,0,1]=2 43 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [0,0,0,0,0,0|1,0,1]=2 44 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [0,0,0,0,0,0|1,0,1]=2 45 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [0,0,0,0,0,0|1,1,1]=3 46 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [0,0,0,0,0,0|1,1,1]=3 47 B8R0.7 C=CCCNCC(=C)C 2230a_100015191253_100000748629 [0,0,0,0,0,0|3,0,0]=3 48 B8R0.7 C=CCCNCC(=C)F 2230a_100015191253_100009893438 [0,0,0,0,0,0|3,0,1]=4 49 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [0,0,0,0,0,0|3,0,0]=3 50 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [0,0,0,0,0,0|3,0,0]=3 51 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,0,0,0,0,0|3,0,0]=3 52 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [0,0,0,0,0,0|3,0,1]=4 53 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [0,0,0,0,0,0|3,0,1]=4 54 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [0,0,0,0,0,0|2,0,2]=4 57 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [0,0,0,0,0,0|2,0,2]=4 58 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [0,0,0,0,0,0|2,0,2]=4 59 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [0,0,0,0,0,0|2,0,2]=4 60 B8R0.7 C=CCCOCC(=C)C 34a_100000210245_100000754431 [0,0,0,0,0,0|3,0,0]=3 61 B8R0.7 C=CCCOCC(=C)C 34a_100011205117_100000748629 [0,0,0,0,0,0|3,0,0]=3 62 B8R0.7 C=CCCOCC(=C)F 34a_100011205117_100009893438 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.7 C=CCCOCC(=C)F 34a_200010262243_100000754431 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,0,0,0,0,0|2,0,0]=2 65 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [0,0,0,0,0,0|3,0,0]=3 66 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [0,0,0,0,0,0|3,0,0]=3 67 B8R0.7 C=CCCOCC(C)Br 34a_100012180447_100000754431 [0,0,0,0,0,0|3,0,1]=4 68 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.7 C=CCCOCC(C)F 34a_100015925927_100000754431 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [0,0,0,0,0,0|2,0,2]=4 72 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [0,0,0,0,0,0|2,0,2]=4 75 B8R0.7 C=CCCOC[N+](=O)[O-] 34a_100011205117_100000761209 [0,0,0,0,0,0|4,0,0]=4 76 B8R0.7 C=CCCSCC(=C)C 62a_100000748629_100000754431 [0,0,0,0,0,0|3,0,0]=3 77 B8R0.7 C=CCCSCC(=C)C 62a_100000754431_100000211660 [0,0,0,0,0,0|3,0,0]=3 78 B8R0.7 C=CCCSCC(=C)F 62a_100000042424_100000754431 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.7 C=CCCSCC(=C)F 62a_100000754431_100000042424 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [0,0,0,0,0,0|3,0,0]=3 81 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [0,0,0,0,0,0|3,0,0]=3 82 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [0,0,0,0,0,0|3,0,0]=3 83 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [0,0,0,0,0,0|3,0,0]=3 84 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [0,0,0,0,0,0|3,0,1]=4 85 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [0,0,0,0,0,0|3,0,1]=4 86 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [0,0,0,0,0,0|2,0,2]=4 87 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [0,0,0,0,0,0|2,0,2]=4 88 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [0,0,0,0,0,0|2,0,2]=4 89 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [0,0,0,0,0,0|2,0,2]=4 90 B8R0.7 C=CCCSC[N+](=O)[O-] 62a_100000754431_100000761209 [0,0,0,0,0,0|4,0,0]=4 91 B8R0.7 C=CCNCC=C(C)C 2230a_100020586998_100000761012 [0,0,0,0,0,0|3,0,0]=3 92 B8R0.7 C=CCNCC=C(C)C 34a_100000718196_100015514636 [0,0,0,0,0,0|3,0,0]=3 93 B8R0.7 C=CCNCCC(=C)C 2230a_100020586998_100000730704 [0,0,0,0,0,0|3,0,0]=3 94 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [0,0,0,0,0,0|3,0,0]=3 95 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [0,0,0,0,0,0|3,0,1]=4 96 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [0,0,0,0,0,0|2,0,2]=4 97 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [0,0,0,0,0,0|2,0,2]=4 98 B8R0.7 C=CCNCOC(C)C 2230a_100020586998_100000709892 [0,0,0,0,0,0|2,0,1]=3 99 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [0,0,0,0,0,0|4,0,0]=4 100 B8R0.7 C=CCOCC=C(C)C 34a_100000753907_100015514636 [0,0,0,0,0,0|3,0,0]=3 101 B8R0.7 C=CCOCC=C(C)C 34a_200000210373_100000761012 [0,0,0,0,0,0|3,0,0]=3 102 B8R0.7 C=CCOCCC(=C)Br 34a_100009813270_100015514636 [0,0,0,0,0,0|3,0,1]=4 103 B8R0.7 C=CCOCCC(=C)C 34a_100000764851_100015514636 [0,0,0,0,0,0|3,0,0]=3 104 B8R0.7 C=CCOCCC(=C)C 34a_200000210373_100000730704 [0,0,0,0,0,0|3,0,0]=3 105 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,0,0,0,0,0|2,0,0]=2 106 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,0,0,0,0,0|2,0,0]=2 107 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,0,0,0,0,0|2,0,0]=2 108 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [0,0,0,0,0,0|3,0,0]=3 109 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [0,0,0,0,0,0|3,0,0]=3 110 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [0,0,0,0,0,0|3,0,0]=3 111 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,0,0,0,0,0|2,0,0]=2 112 B8R0.7 C=CCOCCC(C)Br 34a_100009893172_100015514636 [0,0,0,0,0,0|3,0,1]=4 113 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [0,0,0,0,0,0|3,0,1]=4 114 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [0,0,0,0,0,0|3,0,1]=4 115 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [0,0,0,0,0,0|3,0,1]=4 116 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [0,0,0,0,0,0|2,0,2]=4 117 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [0,0,0,0,0,0|3,0,1]=4 118 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [0,0,0,0,0,0|1,0,0]=1 119 B8R0.7 C=CCOCOC(C)C 34a_200000210373_100000709892 [0,0,0,0,0,0|2,0,1]=3 120 B8R0.7 C=CCSCC=C(C)C 62a_100000210623_100000761012 [0,0,0,0,0,0|3,0,0]=3 121 B8R0.7 C=CCSCC=C(C)C 62a_100000761012_100000210623 [0,0,0,0,0,0|3,0,0]=3 122 B8R0.7 C=CCSCCC(=C)C 62a_100000210623_100000730704 [0,0,0,0,0,0|3,0,0]=3 123 B8R0.7 C=CCSCCC(=C)C 62a_100000730704_100000210623 [0,0,0,0,0,0|3,0,0]=3 124 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,0,0,0,0,0|2,0,0]=2 125 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,0,0,0,0,0|2,0,0]=2 126 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [0,0,0,0,0,0|3,0,0]=3 127 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [0,0,0,0,0,0|3,0,0]=3 128 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [0,0,0,0,0,0|3,0,1]=4 129 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [0,0,0,0,0,0|3,0,1]=4 130 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [0,0,0,0,0,0|2,0,2]=4 131 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [0,0,0,0,0,0|2,0,2]=4 132 B8R0.7 C=CCSCCN(C)C 62a_100000210623_100000755713 [0,0,0,0,0,0|4,0,0]=4 133 B8R0.7 C=CCSCOC(=O)C 62a_100000076356_100000210623 [0,0,0,0,0,0|1,0,0]=1 134 B8R0.7 C=CCSCOC(=O)C 62a_100000210623_100000076356 [0,0,0,0,0,0|1,0,0]=1 135 B8R0.7 C=CCSCOC(C)C 62a_100000210623_100000709892 [0,0,0,0,0,0|2,0,1]=3 136 B8R0.7 C=CCSCOC(C)C 62a_100000709892_100000210623 [0,0,0,0,0,0|2,0,1]=3 137 B8R0.7 C=COCCNC(C)C 2230a_100138425928_100000039644 [0,0,0,0,0,0|3,0,1]=4 138 B8R0.7 C=COCCNC(C)C 34a_100138425928_100000039644 [0,0,0,0,0,0|3,0,1]=4 139 B8R0.7 C=COCCOC(C)C 34a_100000033082_100000210206 [0,0,0,0,0,0|2,0,1]=3 140 B8R0.7 C=COCCOC(C)C 34a_100000212225_100000039644 [0,0,0,0,0,0|2,0,1]=3 141 B8R0.7 C=COCCSC(C)C 62a_100000039644_100000210206 [0,0,0,0,0,0|2,1,1]=4 142 B8R0.7 C=COCCSC(C)C 62a_100000210206_100000039644 [0,0,0,0,0,0|2,1,1]=4 143 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [0,0,0,0,0,0|4,0,0]=4 144 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [0,0,0,0,0,0|4,0,0]=4 145 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [0,0,0,0,0,0|4,0,0]=4 146 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [0,0,0,0,0,0|4,0,0]=4 147 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,0,0,0,0,0|2,0,1]=3 148 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,0,0,0,0,0|2,0,1]=3 149 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,0,0,0,0,0|2,0,1]=3 150 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,0,0,0,0,0|2,0,1]=3 151 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,0,0,0,0,0|2,0,1]=3 152 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,0,0,0,0,0|2,0,1]=3 153 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [0,0,0,0,0,0|4,0,0]=4 154 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,0,0,0,0,0|3,0,1]=4 155 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,0,0,0,0,0|3,0,1]=4 156 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,0,0,0,0,0|3,0,1]=4 157 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,0,0,0,0,0|3,0,1]=4 158 B8R0.7 CC(=O)CCOCC#N 1458a_100000070787_200000047693 [0,0,0,0,0,0|3,0,1]=4 159 B8R0.7 CC(=O)CCOCC#N 7a_100000759926_100011215382 [0,0,0,0,0,0|3,0,1]=4 160 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,0,0,0,0,0|3,0,0]=3 161 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,0,0,0,0,0|3,0,0]=3 162 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,0,0,0,0,0|3,0,1]=4 163 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,0,0,0,0,0|3,0,1]=4 164 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,0,0,0,0,0|3,0,1]=4 165 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,0,0,0,0,0|3,0,1]=4 166 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,0,0,0,0,0|3,0,1]=4 167 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,0,0,0,0,0|3,0,1]=4 168 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [0,0,0,0,0,0|3,0,1]=4 169 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [0,0,0,0,0,0|3,0,1]=4 170 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,0,0,0,0,0|3,0,0]=3 171 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,0,0,0,0,0|3,0,0]=3 172 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,0,0,0,0,0|3,0,1]=4 173 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,0,0,0,0,0|3,0,1]=4 174 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,0,0,0,0,0|3,0,1]=4 175 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,0,0,0,0,0|3,0,1]=4 176 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,0,0,0,0,0|3,0,1]=4 177 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,0,0,0,0,0|3,0,1]=4 178 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,0,0,0,0,0|2,0,1]=3 179 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,0,0,0,0,0|2,0,1]=3 180 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,0,0,0,0,0|2,0,1]=3 181 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,0,0,0,0,0|2,0,1]=3 182 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [0,0,0,0,0,0|3,0,1]=4 183 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [0,0,0,0,0,0|3,0,1]=4 184 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [0,0,0,0,0,0|3,0,1]=4 185 B8R0.7 CC(=O)NNCCC#N 22a_100000229987_100000070787 [0,0,0,0,0,0|3,0,1]=4 186 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,0,0,0,0,0|1,0,1]=2 187 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,0,0,0,0,0|1,0,1]=2 188 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [0,0,0,0,0,0|2,0,1]=3 189 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [0,0,0,0,0,0|2,0,1]=3 190 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [0,0,0,0,0,0|2,0,1]=3 191 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,0,0,0,0,0|2,0,1]=3 192 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [0,0,0,0,0,0|2,0,1]=3 193 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [0,0,0,0,0,0|2,0,1]=3 194 B8R0.7 CC(=O)OCSCC#N 62a_100000076356_100011215382 [0,0,0,0,0,0|2,0,1]=3 195 B8R0.7 CC(=O)OCSCC#N 62a_100011215382_100000076356 [0,0,0,0,0,0|2,0,1]=3 196 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [0,0,0,0,0,0|2,0,0]=2 197 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [0,0,0,0,0,0|2,0,0]=2 198 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [0,0,0,0,0,0|2,0,1]=3 199 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [0,0,0,0,0,0|2,0,1]=3 200 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [0,0,0,0,0,0|2,0,1]=3 201 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [0,0,0,0,0,0|2,0,1]=3 202 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,0,0,0,0,0|1,1,1]=3 203 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,0,0,0,0,0|1,1,1]=3 204 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [0,0,0,0,0,0|1,1,1]=3 205 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [0,0,0,0,0,0|1,1,1]=3 206 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [0,0,0,0,0,0|3,0,1]=4 207 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [0,0,0,0,0,0|2,0,2]=4 208 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [0,0,0,0,0,0|2,0,2]=4 209 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [0,0,0,0,0,0|2,0,2]=4 210 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [0,0,0,0,0,0|2,0,2]=4 211 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [0,0,0,0,0,0|2,0,2]=4 212 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [0,0,0,0,0,0|2,0,2]=4 213 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [0,0,0,0,0,0|2,0,2]=4 214 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [0,0,0,0,0,0|2,0,2]=4 215 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [0,0,0,0,0,0|2,0,2]=4 216 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [0,0,0,0,0,0|2,0,2]=4 217 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [0,0,0,0,0,0|2,0,2]=4 218 B8R0.7 CC(C)OCSCC=O 62a_100000709892_200015260668 [0,0,0,0,0,0|3,0,1]=4 219 B8R0.7 CC(C)OCSCC=O 62a_200015260668_100000709892 [0,0,0,0,0,0|3,0,1]=4 220 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [0,0,0,0,0,0|2,1,1]=4 221 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [0,0,0,0,0,0|2,1,1]=4 222 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [0,0,0,0,0,0|2,0,2]=4 223 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,0,0,0,0,0|1,0,3]=4 224 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,0,0,0,0,0|1,0,3]=4 225 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,0,0,0,0,0|1,0,2]=3 226 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,0,0,0,0,0|1,0,2]=3 227 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,0,0,0,0,0|1,0,2]=3 228 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,0,0,0,0,0|1,0,2]=3 229 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,0,0,0,0,0|1,0,2]=3 230 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,0,0,0,0,0|1,0,2]=3 231 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,0,0,0,0,0|1,0,2]=3 232 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [0,0,0,0,0,0|1,0,3]=4 233 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [0,0,0,0,0,0|1,0,3]=4 234 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [0,0,0,0,0,0|1,0,3]=4 235 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,0,0,0,0,0|2,0,2]=4 236 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,0,0,0,0,0|2,0,2]=4 237 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,0,0,0,0,0|2,0,2]=4 238 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,0,0,0,0,0|2,0,2]=4 239 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,0,0,0,0,0|2,0,2]=4 240 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,0,0,0,0,0|2,0,2]=4 241 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,0,0,0,0,0|2,0,2]=4 242 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,0,0,0,0,0|2,0,2]=4 243 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,0,0,0,0,0|2,0,2]=4 244 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,0,0,0,0,0|2,0,2]=4 245 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,0,0,0,0,0|1,0,2]=3 246 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,0,0,0,0,0|2,0,2]=4 247 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,0,0,0,0,0|2,0,2]=4 248 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,0,0,0,0,0|1,0,2]=3 249 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,0,0,0,0,0|1,0,2]=3 250 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,0,0,0,0,0|2,0,2]=4 251 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,0,0,0,0,0|2,0,2]=4 252 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,0,0,0,0,0|2,0,2]=4 253 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,0,0,0,0,0|2,0,2]=4 254 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,0,0,0,0,0|2,0,2]=4 255 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,0,0,0,0,0|2,0,2]=4 256 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,0,0,0,0,0|2,0,2]=4 257 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,0,0,0,0,0|2,0,2]=4 258 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,0,0,0,0,0|2,0,2]=4 259 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,0,0,0,0,0|2,0,2]=4 260 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,0,0,0,0,0|2,0,2]=4 261 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,0,0,0,0,0|1,0,2]=3 262 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,0,0,0,0,0|2,0,2]=4 263 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,0,0,0,0,0|2,0,2]=4 264 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,0,0,0,0,0|2,0,2]=4 265 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,0,0,0,0,0|2,0,2]=4 266 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,0,0,0,0,0|2,0,2]=4 267 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,0,0,0,0,0|2,0,2]=4 268 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,0,0,0,0,0|2,0,2]=4 269 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,0,0,0,0,0|2,0,2]=4 270 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,0,0,0,0,0|2,0,2]=4 271 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,0,0,0,0,0|2,0,2]=4 272 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,0,0,0,0,0|1,0,2]=3 273 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,0,0,0,0,0|1,0,2]=3 274 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,0,0,0,0,0|2,0,2]=4 275 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,0,0,0,0,0|2,0,2]=4 276 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [0,0,0,0,0,0|4,0,0]=4 277 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [0,0,0,0,0,0|4,0,0]=4 278 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,0,0,0,0,0|2,0,1]=3 279 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,0,0,0,0,0|2,0,1]=3 280 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,0,0,0,0,0|3,0,1]=4 281 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,0,0,0,0,0|2,0,1]=3 282 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,0,0,0,0,0|1,0,1]=2 283 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,0,0,0,0,0|1,0,1]=2 284 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [0,0,0,0,0,0|1,1,1]=3 285 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [0,0,0,0,0,0|1,1,1]=3 286 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [0,0,0,0,0,0|1,1,1]=3 287 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [0,0,0,0,0,0|2,0,2]=4 288 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [0,0,0,0,0,0|2,0,2]=4 289 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [0,0,0,0,0,0|2,0,2]=4 290 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,0,0,0,0,0|1,1,1]=3 291 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,0,0,0,0,0|1,1,1]=3 292 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,0,0,0,0,0|1,1,1]=3 293 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,0,0,0,0,0|2,0,1]=3 294 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,0,0,0,0,0|2,0,1]=3 295 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,0,0,0,0,0|3,0,1]=4 296 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,0,0,0,0,0|3,0,1]=4 297 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,0,0,0,0,0|2,0,1]=3 298 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,0,0,0,0,0|2,0,1]=3 299 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,0,0,0,0,0|2,0,1]=3 300 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,0,0,0,0,0|2,0,1]=3 301 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,0,0,0,0,0|1,0,1]=2 302 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [0,0,0,0,0,0|1,1,1]=3 303 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [0,0,0,0,0,0|2,0,2]=4 304 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [0,0,0,0,0,0|2,0,2]=4 305 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,0,0,0,0,0|1,1,1]=3 306 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [0,0,0,0,0,0|3,0,1]=4 307 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,0,0,0,0,0|3,0,1]=4 308 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,0,0,0,0,0|3,0,1]=4 309 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,0,0,0,0,0|3,0,1]=4 310 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,0,0,0,0,0|3,0,1]=4 311 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,0,0,0,0,0|3,0,1]=4 312 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [0,0,0,0,0,0|2,0,1]=3 313 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [0,0,0,0,0,0|2,0,1]=3 314 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,0,0,0,0,0|2,0,1]=3 315 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,0,0,0,0,0|2,0,1]=3 316 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,0,0,0,0,0|2,0,1]=3 317 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,0,0,0,0,0|2,0,1]=3 318 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,0,0,0,0,0|2,0,1]=3 319 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,0,0,0,0,0|2,0,1]=3 320 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,0,0,0,0,0|1,0,1]=2 321 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,0,0,0,0,0|1,0,1]=2 322 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [0,0,0,0,0,0|1,1,1]=3 323 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [0,0,0,0,0,0|1,1,1]=3 324 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [0,0,0,0,0,0|2,0,2]=4 325 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [0,0,0,0,0,0|2,0,2]=4 326 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,0,0,0,0,0|1,1,1]=3 327 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,0,0,0,0,0|1,1,1]=3 328 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,0,0,0,0,0|3,0,1]=4 329 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,0,0,0,0,0|3,0,1]=4 330 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,0,0,0,0,0|3,0,1]=4 331 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,0,0,0,0,0|3,0,1]=4 332 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [0,0,0,0,0,0|2,0,1]=3 333 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [0,0,0,0,0,0|2,0,1]=3 334 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [0,0,0,0,0,0|4,0,0]=4 335 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [0,0,0,0,0,0|4,0,0]=4 336 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [0,0,0,0,0,0|4,0,0]=4 337 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [0,0,0,0,0,0|4,0,0]=4 338 B8R0.7 NC(=O)OCCOCF 7a_100000766696_100015361967 [0,0,0,0,0,0|3,0,1]=4 339 B8R0.7 NC(=O)OCCSCF 62a_100015361967_200011214921 [0,0,0,0,0,0|3,0,1]=4 340 B8R0.7 NC(=O)OCCSCF 62a_200011214921_100015361967 [0,0,0,0,0,0|3,0,1]=4 341 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,0,0,0,0,0|2,0,1]=3 342 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [0,0,0,0,0,0|4,0,0]=4 343 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,0,0,0,0,0|3,0,1]=4 344 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,0,0,0,0,0|3,0,1]=4 345 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,0,0,0,0,0|3,0,1]=4 346 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,0,0,0,0,0|3,0,1]=4 347 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [1,0,0,0,0,0|0,0,3]=4 348 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [1,0,0,0,0,0|0,0,3]=4 349 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [1,0,0,0,0,0|0,0,3]=4 350 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [1,0,0,0,0,0|0,0,3]=4 351 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [1,0,0,0,0,0|3,0,0]=4 352 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [1,0,0,0,0,0|3,0,0]=4 353 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [1,0,0,0,0,0|3,0,0]=4 354 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [1,0,0,0,0,0|2,0,0]=3 355 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [1,0,0,0,0,0|2,0,0]=3 356 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [1,0,0,0,0,0|2,0,0]=3 357 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [1,0,0,0,0,0|2,0,0]=3 358 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [1,0,0,0,0,0|2,0,0]=3 359 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [1,0,0,0,0,0|2,0,0]=3 360 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [1,0,0,0,0,0|2,0,0]=3 361 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [1,0,0,0,0,0|2,0,0]=3 362 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [1,0,0,0,0,0|2,0,0]=3 363 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [1,0,0,0,0,0|2,0,0]=3 364 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [1,0,0,0,0,0|2,0,0]=3 365 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [1,0,0,0,0,0|2,0,0]=3 366 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [1,0,0,0,0,0|2,0,0]=3 367 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [1,0,0,0,0,0|2,0,0]=3 368 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [1,0,0,0,0,0|2,0,0]=3 369 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [1,0,0,0,0,0|2,0,0]=3 370 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [1,0,0,0,0,0|1,0,1]=3 371 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [1,0,0,0,0,0|1,0,1]=3 372 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [1,0,0,0,0,0|1,0,1]=3 373 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [1,0,0,0,0,0|2,0,1]=4 374 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [1,0,0,0,0,0|0,0,1]=2 375 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [1,0,0,0,0,0|0,0,1]=2 376 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [1,0,0,0,0,0|0,0,1]=2 377 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [1,0,0,0,0,0|1,0,1]=3 378 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [1,0,0,0,0,0|1,0,1]=3 379 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [1,0,0,0,0,0|0,1,1]=3 380 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [1,0,0,0,0,0|0,1,1]=3 381 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [1,0,0,0,0,0|1,1,1]=4 382 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [1,0,0,0,0,0|1,1,1]=4 383 B7R0.1 C=CCCNCC=C 2230a_100015191253_100000210623 [1,0,0,0,0,0|2,0,1]=4 384 B7R0.1 C=CCCNCC=C 2230a_100020586998_100000754431 [1,0,0,0,0,0|2,0,1]=4 385 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [1,0,0,0,0,0|2,0,0]=3 386 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [1,0,0,0,0,0|2,0,1]=4 387 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [1,0,0,0,0,0|3,0,0]=4 388 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [1,0,0,0,0,0|3,0,0]=4 389 B7R0.1 C=CCCOCC=C 34a_100011205117_100015514636 [1,0,0,0,0,0|2,0,1]=4 390 B7R0.1 C=CCCOCC=C 34a_200000210373_100000754431 [1,0,0,0,0,0|2,0,1]=4 391 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [1,0,0,0,0,0|2,0,0]=3 392 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [1,0,0,0,0,0|2,0,1]=4 393 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [1,0,0,0,0,0|2,0,1]=4 394 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [1,0,0,0,0,0|3,0,0]=4 395 B7R0.1 C=CCCSCC=C 62a_100000210623_100000754431 [1,0,0,0,0,0|2,0,1]=4 396 B7R0.1 C=CCCSCC=C 62a_100000754431_100000210623 [1,0,0,0,0,0|2,0,1]=4 397 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [1,0,0,0,0,0|2,0,0]=3 398 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [1,0,0,0,0,0|2,0,0]=3 399 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [1,0,0,0,0,0|2,0,1]=4 400 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [1,0,0,0,0,0|2,0,1]=4 401 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [1,0,0,0,0,0|3,0,0]=4 402 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [1,0,0,0,0,0|3,0,0]=4 403 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [1,0,0,0,0,0|3,0,0]=4 404 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [1,0,0,0,0,0|3,0,0]=4 405 B7R0.1 C=CCNCC#CC 2230a_100000685387_100000210623 [1,0,0,0,0,0|2,0,1]=4 406 B7R0.1 C=CCNCC#CC 2230a_100020586998_100000748600 [1,0,0,0,0,0|2,0,1]=4 407 B7R0.1 C=CCNCC#CC 34a_100000685387_100015514636 [1,0,0,0,0,0|2,0,1]=4 408 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [1,0,0,0,0,0|2,0,0]=3 409 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [1,0,0,0,0,0|2,0,1]=4 410 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [1,0,0,0,0,0|2,0,1]=4 411 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [1,0,0,0,0,0|2,0,1]=4 412 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [1,0,0,0,0,0|3,0,0]=4 413 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [1,0,0,0,0,0|3,0,0]=4 414 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [1,0,0,0,0,0|3,0,0]=4 415 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [1,0,0,0,0,0|3,0,0]=4 416 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [1,0,0,0,0,0|2,0,0]=3 417 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [1,0,0,0,0,0|2,0,0]=3 418 B7R0.1 C=CCOCC#CC 34a_100000761923_100015514636 [1,0,0,0,0,0|2,0,1]=4 419 B7R0.1 C=CCOCC#CC 34a_200000210373_100000748600 [1,0,0,0,0,0|2,0,1]=4 420 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [1,0,0,0,0,0|2,0,0]=3 421 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [1,0,0,0,0,0|2,0,1]=4 422 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [1,0,0,0,0,0|2,0,1]=4 423 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [1,0,0,0,0,0|2,0,1]=4 424 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [1,0,0,0,0,0|3,0,0]=4 425 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [1,0,0,0,0,0|3,0,0]=4 426 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [1,0,0,0,0,0|3,0,0]=4 427 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [1,0,0,0,0,0|3,0,0]=4 428 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [1,0,0,0,0,0|3,0,0]=4 429 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [1,0,0,0,0,0|3,0,0]=4 430 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [1,0,0,0,0,0|3,0,0]=4 431 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [1,0,0,0,0,0|3,0,0]=4 432 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [1,0,0,0,0,0|3,0,0]=4 433 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [1,0,0,0,0,0|2,0,0]=3 434 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [1,0,0,0,0,0|2,0,0]=3 435 B7R0.1 C=CCSCC#CC 62a_100000210623_100000748600 [1,0,0,0,0,0|2,0,1]=4 436 B7R0.1 C=CCSCC#CC 62a_100000748600_100000210623 [1,0,0,0,0,0|2,0,1]=4 437 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [1,0,0,0,0,0|2,0,0]=3 438 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [1,0,0,0,0,0|2,0,0]=3 439 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [1,0,0,0,0,0|2,0,1]=4 440 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [1,0,0,0,0,0|2,0,1]=4 441 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [1,0,0,0,0,0|3,0,0]=4 442 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [1,0,0,0,0,0|3,0,0]=4 443 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [1,0,0,0,0,0|3,0,0]=4 444 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [1,0,0,0,0,0|3,0,0]=4 445 B7R0.1 C=CCSCOCC 62a_100000210623_100000739092 [1,0,0,0,0,0|1,0,1]=3 446 B7R0.1 C=CCSCOCC 62a_100000739092_100000210623 [1,0,0,0,0,0|1,0,1]=3 447 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [1,0,0,0,0,0|1,0,2]=4 448 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [1,0,0,0,0,0|1,0,2]=4 449 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [1,0,0,0,0,0|1,0,2]=4 450 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [1,0,0,0,0,0|1,0,2]=4 451 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [1,0,0,0,0,0|2,0,1]=4 452 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [1,0,0,0,0,0|1,0,1]=3 453 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [1,0,0,0,0,0|1,0,1]=3 454 B7R0.1 C=COCCOCF 34a_100000033082_100015361967 [1,0,0,0,0,0|2,0,1]=4 455 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [1,0,0,0,0,0|1,1,1]=4 456 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [1,0,0,0,0,0|1,1,1]=4 457 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [1,0,0,0,0,0|2,0,1]=4 458 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [1,0,0,0,0,0|2,0,1]=4 459 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [1,0,0,0,0,0|3,0,0]=4 460 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [1,0,0,0,0,0|3,0,0]=4 461 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [1,0,0,0,0,0|0,0,3]=4 462 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [1,0,0,0,0,0|0,0,3]=4 463 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [1,0,0,0,0,0|0,0,3]=4 464 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [1,0,0,0,0,0|2,0,1]=4 465 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [1,0,0,0,0,0|1,0,2]=4 466 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [1,0,0,0,0,0|1,0,2]=4 467 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [1,0,0,0,0,0|1,0,2]=4 468 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [1,0,0,0,0,0|1,0,2]=4 469 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [1,0,0,0,0,0|1,0,2]=4 470 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [1,0,0,0,0,0|1,0,2]=4 471 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [1,0,0,0,0,0|1,0,2]=4 472 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [1,0,0,0,0,0|1,0,2]=4 473 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [1,0,0,0,0,0|1,0,2]=4 474 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [1,0,0,0,0,0|1,0,2]=4 475 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [1,0,0,0,0,0|1,0,2]=4 476 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [1,0,0,0,0,0|1,0,2]=4 477 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [1,0,0,0,0,0|1,0,2]=4 478 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [1,0,0,0,0,0|1,0,2]=4 479 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [1,0,0,0,0,0|1,0,2]=4 480 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [1,0,0,0,0,0|1,0,2]=4 481 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [1,0,0,0,0,0|1,0,2]=4 482 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [1,0,0,0,0,0|1,0,2]=4 483 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [1,0,0,0,0,0|1,0,2]=4 484 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [1,0,0,0,0,0|1,0,2]=4 485 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [1,0,0,0,0,0|1,0,2]=4 486 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [1,0,0,0,0,0|1,0,2]=4 487 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [1,0,0,0,0,0|1,0,2]=4 488 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [1,0,0,0,0,0|1,0,2]=4 489 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [1,0,0,0,0,0|1,0,2]=4 490 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [1,0,0,0,0,0|1,0,2]=4 491 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [1,0,0,0,0,0|1,0,2]=4 492 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [1,0,0,0,0,0|1,0,2]=4 493 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [1,0,0,0,0,0|1,0,2]=4 494 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [1,0,0,0,0,0|1,0,2]=4 495 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [1,0,0,0,0,0|2,0,1]=4 496 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [1,0,0,0,0,0|2,0,1]=4 497 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [1,0,0,0,0,0|1,1,1]=4 498 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [1,0,0,0,0,0|1,1,1]=4 499 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [1,0,0,0,0,0|2,0,1]=4 500 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [1,0,0,0,0,0|2,0,1]=4 501 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [1,0,0,0,0,0|2,0,1]=4 502 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [1,0,0,0,0,0|2,0,1]=4 503 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [1,0,0,0,0,0|2,0,1]=4 504 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [1,0,0,0,0,0|2,0,1]=4 505 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|0,0,2]=3 506 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|0,0,2]=3 507 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|0,0,2]=3 508 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 509 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 510 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 511 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [1,0,0,0,0,0|1,0,2]=4 512 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [1,0,0,0,0,0|1,0,2]=4 513 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [1,0,0,0,0,0|1,0,2]=4 514 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [1,0,0,0,0,0|1,0,2]=4 515 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [1,0,0,0,0,0|3,0,0]=4 516 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [1,0,0,0,0,0|3,0,0]=4 517 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [1,0,0,0,0,0|3,0,0]=4 518 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|0,0,0]=1 519 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|0,0,0]=1 520 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|0,0,0]=1 521 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [1,0,0,0,0,0|2,0,0]=3 522 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [1,0,0,0,0,0|2,0,0]=3 523 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,0,0,0,0,0|1,0,0]=2 524 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,0,0,0,0,0|1,0,0]=2 525 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,0,0,0,0,0|1,0,0]=2 526 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,0,0,0,0,0|1,0,0]=2 527 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [1,0,0,0,0,0|2,0,1]=4 528 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [1,0,0,0,0,0|2,0,1]=4 529 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [1,0,0,0,0,0|2,0,1]=4 530 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [1,0,0,0,0,0|1,0,1]=3 531 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [1,0,0,0,0,0|1,0,1]=3 532 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [1,0,0,0,0,0|1,1,1]=4 533 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [1,0,0,0,0,0|1,1,1]=4 534 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [1,0,0,0,0,0|2,0,0]=3 535 B7R0.4 C=CCNCC(=C)F 2230a_100020586998_100009893438 [1,0,0,0,0,0|2,0,1]=4 536 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [1,0,0,0,0,0|2,0,0]=3 537 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [1,0,0,0,0,0|2,0,0]=3 538 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,0,0,0,0|2,0,0]=3 539 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [1,0,0,0,0,0|2,0,1]=4 540 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [1,0,0,0,0,0|2,0,1]=4 541 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [1,0,0,0,0,0|2,0,1]=4 542 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [1,0,0,0,0,0|2,0,1]=4 543 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [1,0,0,0,0,0|1,0,2]=4 544 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [1,0,0,0,0,0|1,0,2]=4 545 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [1,0,0,0,0,0|1,0,2]=4 546 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [1,0,0,0,0,0|1,0,2]=4 547 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [1,0,0,0,0,0|2,0,0]=3 548 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [1,0,0,0,0,0|2,0,0]=3 549 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [1,0,0,0,0,0|2,0,0]=3 550 B7R0.4 C=CCOCC(=C)F 34a_200000210373_100009893438 [1,0,0,0,0,0|2,0,1]=4 551 B7R0.4 C=CCOCC(=C)F 34a_200010262243_100015514636 [1,0,0,0,0,0|2,0,1]=4 552 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,0,0,0,0,0|1,0,0]=2 553 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [1,0,0,0,0,0|2,0,0]=3 554 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [1,0,0,0,0,0|2,0,0]=3 555 B7R0.4 C=CCOCC(C)Br 34a_100012180447_100015514636 [1,0,0,0,0,0|2,0,1]=4 556 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [1,0,0,0,0,0|2,0,1]=4 557 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [1,0,0,0,0,0|2,0,1]=4 558 B7R0.4 C=CCOCC(C)F 34a_100015925927_100015514636 [1,0,0,0,0,0|2,0,1]=4 559 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [1,0,0,0,0,0|1,0,2]=4 560 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [1,0,0,0,0,0|2,0,1]=4 561 B7R0.4 C=CCOC[C@@H](C)N 34a_100000737577_100015514636 [1,0,0,0,0,0|2,0,1]=4 562 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [1,0,0,0,0,0|1,0,2]=4 563 B7R0.4 C=CCOC[N+](=O)[O-] 34a_200000210373_100000761209 [1,0,0,0,0,0|3,0,0]=4 564 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [1,0,0,0,0,0|2,0,0]=3 565 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [1,0,0,0,0,0|2,0,0]=3 566 B7R0.4 C=CCSCC(=C)F 62a_100000042424_100000210623 [1,0,0,0,0,0|2,0,1]=4 567 B7R0.4 C=CCSCC(=C)F 62a_100000210623_100000042424 [1,0,0,0,0,0|2,0,1]=4 568 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [1,0,0,0,0,0|1,0,0]=2 569 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [1,0,0,0,0,0|2,0,0]=3 570 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [1,0,0,0,0,0|2,0,0]=3 571 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [1,0,0,0,0,0|1,0,0]=2 572 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [1,0,0,0,0,0|2,0,0]=3 573 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [1,0,0,0,0,0|2,0,0]=3 574 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [1,0,0,0,0,0|2,0,1]=4 575 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [1,0,0,0,0,0|2,0,1]=4 576 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [1,0,0,0,0,0|1,0,2]=4 577 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [1,0,0,0,0,0|1,0,2]=4 578 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [1,0,0,0,0,0|1,0,2]=4 579 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [1,0,0,0,0,0|1,0,2]=4 580 B7R0.4 C=CCSC[N+](=O)[O-] 62a_100000210623_100000761209 [1,0,0,0,0,0|3,0,0]=4 581 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,0,0,0,0,0|1,0,0]=2 582 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [1,0,0,0,0,0|3,0,0]=4 583 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [1,0,0,0,0,0|3,0,0]=4 584 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|1,0,1]=3 585 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|1,0,1]=3 586 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|1,0,1]=3 587 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|1,0,1]=3 588 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|1,0,1]=3 589 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|1,0,1]=3 590 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|1,0,1]=3 591 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|1,0,1]=3 592 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|1,0,1]=3 593 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [1,0,0,0,0,0|3,0,0]=4 594 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|2,0,1]=4 595 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|2,0,1]=4 596 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|2,0,1]=4 597 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|2,0,1]=4 598 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,0,0,0,0,0|2,0,0]=3 599 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|2,0,1]=4 600 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|2,0,1]=4 601 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|2,0,1]=4 602 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [1,0,0,0,0,0|2,0,1]=4 603 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 604 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 605 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 606 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [1,0,0,0,0,0|2,0,1]=4 607 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 608 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 609 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 610 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|2,0,0]=3 611 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|2,0,0]=3 612 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|2,0,0]=3 613 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|2,0,1]=4 614 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|2,0,1]=4 615 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|2,0,1]=4 616 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|2,0,1]=4 617 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,0,0,0,0,0|3,0,0]=4 618 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|1,0,1]=3 619 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|1,0,1]=3 620 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [1,0,0,0,0,0|2,0,0]=3 621 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [1,0,0,0,0,0|2,0,0]=3 622 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,0,0,0,0,0|2,0,1]=4 623 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,0,0,0,0,0|2,0,1]=4 624 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,0,0,0,0,0|2,0,1]=4 625 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,0,0,0,0,0|2,0,1]=4 626 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,0,0,0,0,0|2,0,1]=4 627 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,0,0,0,0,0|2,0,1]=4 628 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|1,0,2]=4 629 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|1,0,2]=4 630 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|1,0,2]=4 631 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|1,0,2]=4 632 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|0,0,2]=3 633 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|0,0,2]=3 634 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|0,0,2]=3 635 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|1,0,1]=3 636 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|1,0,1]=3 637 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|1,0,1]=3 638 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|1,0,1]=3 639 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,0,0,0,0|1,0,2]=4 640 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,0,0,0,0|1,0,2]=4 641 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,0,0,0,0|1,0,2]=4 642 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|2,0,1]=4 643 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|1,0,2]=4 644 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|1,0,2]=4 645 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|1,0,2]=4 646 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|1,0,2]=4 647 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|1,0,2]=4 648 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|1,0,2]=4 649 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|1,0,2]=4 650 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|1,0,2]=4 651 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|1,0,2]=4 652 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|1,0,2]=4 653 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|1,0,1]=3 654 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|1,0,2]=4 655 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|1,0,2]=4 656 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|1,0,2]=4 657 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|1,0,2]=4 658 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|1,0,2]=4 659 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|1,0,1]=3 660 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|1,0,1]=3 661 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [1,0,0,0,0,0|3,0,0]=4 662 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [1,0,0,0,0,0|3,0,0]=4 663 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|1,0,1]=3 664 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|1,0,1]=3 665 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,1]=4 666 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,1]=4 667 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,1]=4 668 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|2,0,1]=4 669 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|2,0,1]=4 670 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|2,0,1]=4 671 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|2,0,1]=4 672 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|1,0,1]=3 673 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|1,0,1]=3 674 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|2,0,1]=4 675 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|2,0,1]=4 676 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|1,0,1]=3 677 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|1,0,1]=3 678 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|1,0,1]=3 679 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|1,0,1]=3 680 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|1,0,1]=3 681 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|2,0,1]=4 682 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|1,0,1]=3 683 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|2,0,1]=4 684 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|2,0,1]=4 685 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|2,0,1]=4 686 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|2,0,1]=4 687 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|1,0,1]=3 688 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|2,0,1]=4 689 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|2,0,1]=4 690 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|2,0,1]=4 691 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|1,0,1]=3 692 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|1,0,1]=3 693 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|1,0,1]=3 694 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|2,0,1]=4 695 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|2,0,1]=4 696 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|1,0,1]=3 697 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|2,0,1]=4 698 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|2,0,1]=4 699 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|2,0,1]=4 700 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|2,0,1]=4 701 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|2,0,1]=4 702 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|2,0,1]=4 703 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|1,0,1]=3 704 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|1,0,1]=3 705 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|2,0,1]=4 706 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|2,0,1]=4 707 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|2,0,1]=4 708 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [1,0,0,0,0,0|3,0,0]=4 709 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [1,0,0,0,0,0|3,0,0]=4 710 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [1,0,0,0,0,0|3,0,0]=4 711 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,0,0,0,0|3,0,0]=4 712 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [1,0,0,0,0,0|3,0,0]=4 713 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [1,0,0,0,0,0|3,0,0]=4 714 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|1,0,1]=3 715 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|1,0,1]=3 716 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [1,0,0,0,0,0|3,0,0]=4 717 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|2,0,1]=4 718 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [1,0,0,0,0,0|2,0,1]=4 719 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,1]=4 720 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|2,0,1]=4 721 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|2,0,1]=4 722 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|2,0,1]=4 723 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|2,0,1]=4 724 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|2,0,1]=4 725 B9R0.1 C#CC(=O)CCOC(=O)C 1458a_100000211873_100009814007 [0,1,0,0,0,0|0,0,3]=4 726 B9R0.1 C#CC(C)NCOC(=O)C 34a_100000707721_100009813279 [0,1,0,0,0,0|1,0,2]=4 727 B9R0.1 C#CC(C)SCOC(=O)C 62a_200000035995_100000076356 [0,1,0,0,0,0|1,0,2]=4 728 B9R0.1 C#C[C@@H](C)OCOC(=O)C 34a_100009815206_100009813279 [0,1,0,0,0,0|1,0,2]=4 729 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [0,1,0,0,0,0|2,0,1]=4 730 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,1,0,0,0,0|1,0,1]=3 731 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [0,1,0,0,0,0|2,0,1]=4 732 B9R0.1 C=CC(=O)CCNC(=O)C 1458a_100000185746_100000189650 [0,1,0,0,0,0|1,0,1]=3 733 B9R0.1 C=CC(=O)CCNC(=O)N 1458a_100000185746_200000034859 [0,1,0,0,0,0|2,0,1]=4 734 B9R0.1 C=CC(=O)CCOC(=O)C 1458a_100000185746_100009814007 [0,1,0,0,0,0|0,0,1]=2 735 B9R0.1 C=CC(=O)CCOC(=O)N 1458a_100000185746_200011214921 [0,1,0,0,0,0|1,0,1]=3 736 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [0,1,0,0,0,0|1,0,2]=4 737 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000065099_200000210301 [0,1,0,0,0,0|2,0,1]=4 738 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000070787_100009813456 [0,1,0,0,0,0|2,0,1]=4 739 B9R0.1 C=CC(=O)OCCC(=O)[13CH3] 1458a_100000065099_200025704644 [0,1,0,0,0,0|2,0,1]=4 740 B9R0.1 C=CC(C)COCC(=C)C 34a_100011215527_100000748629 [0,1,0,0,0,0|3,0,0]=4 741 B9R0.1 C=CC(C)COCC(=C)C 7a_100011215527_100000748629 [0,1,0,0,0,0|3,0,0]=4 742 B9R0.1 C=CC(C)COCC(=O)N 34a_100011215527_100000187820 [0,1,0,0,0,0|3,0,0]=4 743 B9R0.1 C=CC(C)COCC(=O)N 7a_100011215527_100000187820 [0,1,0,0,0,0|3,0,0]=4 744 B9R0.1 C=CC(C)COCC(=O)[O-] 34a_100011215527_100020667443 [0,1,0,0,0,0|3,0,0]=4 745 B9R0.1 C=CC(C)OCC=C(C)C 34a_100000695699_100000761012 [0,1,0,0,0,0|3,0,0]=4 746 B9R0.1 C=CC(C)OCCC(=C)C 34a_100000695699_100000730704 [0,1,0,0,0,0|3,0,0]=4 747 B9R0.1 C=CC(C)OCCC(=O)N 34a_100000695699_100000731001 [0,1,0,0,0,0|3,0,0]=4 748 B9R0.1 C=CC(C)OCOC(=O)C 34a_100000695699_100009813279 [0,1,0,0,0,0|1,0,0]=2 749 B9R0.1 C=CC(C)OCOC(C)C 34a_100000695699_100000709892 [0,1,0,0,0,0|2,0,1]=4 750 B9R0.1 C=CC(C)SCC=C(C)C 62a_100011215867_100000761012 [0,1,0,0,0,0|3,0,0]=4 751 B9R0.1 C=CC(C)SCCC(=C)C 62a_100011215867_100000730704 [0,1,0,0,0,0|3,0,0]=4 752 B9R0.1 C=CC(C)SCCC(=O)C 62a_100011215867_100000053229 [0,1,0,0,0,0|2,0,0]=3 753 B9R0.1 C=CC(C)SCCC(=O)N 62a_100011215867_100000744528 [0,1,0,0,0,0|3,0,0]=4 754 B9R0.1 C=CC(C)SCOC(=O)C 62a_100011215867_100000076356 [0,1,0,0,0,0|1,0,0]=2 755 B9R0.1 C=CC(C)SCOC(C)C 62a_100011215867_100000709892 [0,1,0,0,0,0|2,0,1]=4 756 B9R0.1 C=CC(O)CNCC(=O)N 2230a_100000711301_100000730141 [0,1,0,0,0,0|3,0,0]=4 757 B9R0.1 C=CC(O)CNCC(=O)O 269956a_100016091260_100000730141 [0,1,0,0,0,0|3,0,0]=4 758 B9R0.1 C=CC(O)COCC(=C)C 34a_100000210245_100000730141 [0,1,0,0,0,0|3,0,0]=4 759 B9R0.1 C=CC(O)COCC(=O)C 34a_100000211253_100000730141 [0,1,0,0,0,0|2,0,0]=3 760 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000730141_100000211660 [0,1,0,0,0,0|3,0,0]=4 761 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000748629_100000730141 [0,1,0,0,0,0|3,0,0]=4 762 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000730141_100000747473 [0,1,0,0,0,0|3,0,0]=4 763 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000747473_100000730141 [0,1,0,0,0,0|3,0,0]=4 764 B9R0.1 C=CC(O)CSCC(=O)[O-] 62a_100000730141_100020667443 [0,1,0,0,0,0|3,0,0]=4 765 B9R0.1 C=CC(O)CSCC(=O)[O-] 62a_100020667443_100000730141 [0,1,0,0,0,0|3,0,0]=4 766 B9R0.1 C=C[C@H](N)COCC(=C)C 34a_100016989147_100000748629 [0,1,0,0,0,0|3,0,0]=4 767 B9R0.1 C=C[C@H](N)COCC(=O)N 34a_100016989147_100000187820 [0,1,0,0,0,0|3,0,0]=4 768 B9R0.1 C=C[C@H](N)COCC(=O)[O-] 34a_100016989147_100020667443 [0,1,0,0,0,0|3,0,0]=4 769 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,1,0,0,0,0|2,0,1]=4 770 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,1,0,0,0,0|2,0,1]=4 771 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,1,0,0,0,0|1,0,2]=4 772 B9R0.1 CC(=O)OCOC(C)C#N 34a_100011218135_100009813279 [0,1,0,0,0,0|2,0,1]=4 773 B9R0.1 CC(=O)OCOC(C)CF 34a_100016041109_100009813279 [0,1,0,0,0,0|2,0,1]=4 774 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [0,1,0,0,0,0|2,0,1]=4 775 B9R0.1 CC(=O)OCSC(C)C#N 62a_100000076356_100000703298 [0,1,0,0,0,0|2,0,1]=4 776 B9R0.1 CC(=O)OCSC(C)C#N 62a_100000703298_100000076356 [0,1,0,0,0,0|2,0,1]=4 777 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [0,1,0,0,0,0|2,0,1]=4 778 B9R0.1 CC(=O)OCSC(F)C#N 62a_100000076356_200000117898 [0,1,0,0,0,0|2,0,1]=4 779 B9R0.1 CC(=O)OCSC(F)C#N 62a_200000117898_100000076356 [0,1,0,0,0,0|2,0,1]=4 780 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [0,1,0,0,0,0|2,0,1]=4 781 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [0,1,0,0,0,0|2,0,1]=4 782 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,1,0,0,0,0|0,0,3]=4 783 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,1,0,0,0,0|1,0,2]=4 784 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,1,0,0,0,0|1,0,2]=4 785 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,1,0,0,0,0|1,0,2]=4 786 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,1,0,0,0,0|1,0,2]=4 787 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,1,0,0,0,0|1,0,2]=4 788 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,1,0,0,0,0|1,0,2]=4 789 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,1,0,0,0,0|1,0,2]=4 790 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [0,1,0,0,0,0|2,0,1]=4 791 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [0,1,0,0,0,0|2,0,1]=4 792 B9R0.2 C#CCCCCCC(=O)C 1458a_100000070787_100012094781 [0,1,0,0,0,0|1,0,2]=4 793 B9R0.2 C#CCCCCCC(=O)C 1458a_100000694772_200000210301 [0,1,0,0,0,0|1,0,2]=4 794 B9R0.2 C#CCCCCCC(=O)[13CH3] 1458a_100000694772_200025704644 [0,1,0,0,0,0|1,0,2]=4 795 B9R0.2 C#CCCCCNC(=O)C 11a_100000706060_100015343762 [0,1,0,0,0,0|1,0,2]=4 796 B9R0.2 C#CCCCCNC(=O)C 1626a_100000706060_100015343762 [0,1,0,0,0,0|1,0,2]=4 797 B9R0.2 C#CCCCCNC(=O)C 240690a_100000706060_100015343762 [0,1,0,0,0,0|1,0,2]=4 798 B9R0.2 C#CCCCCNC(=O)C 527a_100000706060_100103153847 [0,1,0,0,0,0|1,0,2]=4 799 B9R0.2 C#CCCCOCC(=C)C 34a_100000210245_100000695029 [0,1,0,0,0,0|1,0,2]=4 800 B9R0.2 C#CCCCOCC(=C)C 34a_100000215630_100000748629 [0,1,0,0,0,0|1,0,2]=4 801 B9R0.2 C#CCCCOCC(=C)C 7a_100000215630_100000748629 [0,1,0,0,0,0|1,0,2]=4 802 B9R0.2 C#CCCCOCC(=O)C 34a_100000211253_100000695029 [0,1,0,0,0,0|0,0,2]=3 803 B9R0.2 C#CCCCOCC(=O)N 34a_100000215630_100000187820 [0,1,0,0,0,0|1,0,2]=4 804 B9R0.2 C#CCCCOCC(=O)N 7a_100000215630_100000187820 [0,1,0,0,0,0|1,0,2]=4 805 B9R0.2 C#CCCCOCC(=O)[O-] 34a_100000215630_100020667443 [0,1,0,0,0,0|1,0,2]=4 806 B9R0.2 C#CCCNCOC(=O)C 34a_100000755551_100009813279 [0,1,0,0,0,0|0,0,2]=3 807 B9R0.2 C#CCCOCCC(=O)C 34a_100000759926_100000688953 [0,1,0,0,0,0|1,0,2]=4 808 B9R0.2 C#CCCOCCC(=O)C 7a_100000759926_100000688953 [0,1,0,0,0,0|1,0,2]=4 809 B9R0.2 C#CCCOCOC(=O)C 34a_100011215631_100009813279 [0,1,0,0,0,0|0,0,2]=3 810 B9R0.2 C#CCCSCCC(=O)C 62a_100000053229_100000688953 [0,1,0,0,0,0|1,0,2]=4 811 B9R0.2 C#CCCSCCC(=O)C 62a_100000688953_100000053229 [0,1,0,0,0,0|1,0,2]=4 812 B9R0.2 C#CCCSCOC(=O)C 62a_100000076356_100000688953 [0,1,0,0,0,0|0,0,2]=3 813 B9R0.2 C#CCCSCOC(=O)C 62a_100000688953_100000076356 [0,1,0,0,0,0|0,0,2]=3 814 B9R0.2 C#CCNCCCC(=O)C 34a_100000212058_100000685027 [0,1,0,0,0,0|1,0,2]=4 815 B9R0.2 C#CCNCCNC(=O)C 2230a_100000209853_100000038162 [0,1,0,0,0,0|1,0,2]=4 816 B9R0.2 C#CCNCCOC(=O)C 34a_100000212058_100009814007 [0,1,0,0,0,0|0,0,2]=3 817 B9R0.2 C#CCNCCOC(=O)N 34a_100000212058_200011214921 [0,1,0,0,0,0|1,0,2]=4 818 B9R0.2 C#CCOCCCC(=O)C 34a_100000210247_100000685027 [0,1,0,0,0,0|1,0,2]=4 819 B9R0.2 C#CCOCCCC(=O)C 34a_100000759063_100000184674 [0,1,0,0,0,0|1,0,2]=4 820 B9R0.2 C#CCOCCCC(=O)C 7a_100000759063_100000038162 [0,1,0,0,0,0|1,0,2]=4 821 B9R0.2 C#CCOCCNC(=O)C 11a_100000700922_100015343762 [0,1,0,0,0,0|1,0,2]=4 822 B9R0.2 C#CCOCCNC(=O)C 1626a_100000700922_100015343762 [0,1,0,0,0,0|1,0,2]=4 823 B9R0.2 C#CCOCCNC(=O)C 240690a_100000700922_100015343762 [0,1,0,0,0,0|1,0,2]=4 824 B9R0.2 C#CCOCCNC(=O)C 34a_100000158858_100000184674 [0,1,0,0,0,0|1,0,2]=4 825 B9R0.2 C#CCOCCNC(=O)C 527a_100000700922_100103153847 [0,1,0,0,0,0|1,0,2]=4 826 B9R0.2 C#CCOCCOC(=O)C 34a_100000210247_100009814007 [0,1,0,0,0,0|0,0,2]=3 827 B9R0.2 C#CCOCCOC(=O)N 34a_100000210247_200011214921 [0,1,0,0,0,0|1,0,2]=4 828 B9R0.2 C#CCOCCOC(=O)N 7a_100000766696_100000038162 [0,1,0,0,0,0|1,0,2]=4 829 B9R0.2 C#CCSCCCC(=O)C 62a_100000038162_100011215641 [0,1,0,0,0,0|1,0,2]=4 830 B9R0.2 C#CCSCCNC(=O)C 62a_100000038162_100000189650 [0,1,0,0,0,0|1,0,2]=4 831 B9R0.2 C#CCSCCOC(=O)C 62a_100000038162_100009814007 [0,1,0,0,0,0|0,0,2]=3 832 B9R0.2 C#CCSCCOC(=O)N 62a_100000038162_200011214921 [0,1,0,0,0,0|1,0,2]=4 833 B9R0.2 C/C=C/CCOCC(=O)N 34a_100016278192_100000187820 [0,1,0,0,0,0|1,0,2]=4 834 B9R0.2 C/C=C/CCOCC(=O)[O-] 34a_100016278192_100020667443 [0,1,0,0,0,0|1,0,2]=4 835 B9R0.2 C/C=C/CNCC=C(C)C 34a_100000718196_100102629194 [0,1,0,0,0,0|3,0,0]=4 836 B9R0.2 C/C=C/COCC=C(C)C 34a_100000753907_100102629194 [0,1,0,0,0,0|3,0,0]=4 837 B9R0.2 C/C=C/COCC=C(C)C 34a_100016270725_100000761012 [0,1,0,0,0,0|3,0,0]=4 838 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [0,1,0,0,0,0|2,0,0]=3 839 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [0,1,0,0,0,0|2,0,0]=3 840 B9R0.2 C/C=C/COCCC(=O)N 34a_100000757172_100102629194 [0,1,0,0,0,0|3,0,0]=4 841 B9R0.2 C/C=C/COCCC(=O)N 34a_100016270725_100000731001 [0,1,0,0,0,0|3,0,0]=4 842 B9R0.2 C/C=C/COCCC(=O)N 7a_100000757172_100102629194 [0,1,0,0,0,0|3,0,0]=4 843 B9R0.2 C/C=C/COCOC(=O)C 34a_100016270725_100009813279 [0,1,0,0,0,0|1,0,0]=2 844 B9R0.2 C/C=C/COCOC(C)C 34a_100016270725_100000709892 [0,1,0,0,0,0|2,0,1]=4 845 B9R0.2 C/C=C/CSCC=C(C)C 62a_100000761012_100102629194 [0,1,0,0,0,0|3,0,0]=4 846 B9R0.2 C/C=C/CSCC=C(C)C 62a_100102629194_100000761012 [0,1,0,0,0,0|3,0,0]=4 847 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [0,1,0,0,0,0|2,0,0]=3 848 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [0,1,0,0,0,0|2,0,0]=3 849 B9R0.2 C/C=C/CSCCC(=O)N 62a_100000744528_100102629194 [0,1,0,0,0,0|3,0,0]=4 850 B9R0.2 C/C=C/CSCCC(=O)N 62a_100102629194_100000744528 [0,1,0,0,0,0|3,0,0]=4 851 B9R0.2 C/C=C/CSCOC(=O)C 62a_100000076356_100102629194 [0,1,0,0,0,0|1,0,0]=2 852 B9R0.2 C/C=C/CSCOC(=O)C 62a_100102629194_100000076356 [0,1,0,0,0,0|1,0,0]=2 853 B9R0.2 C/C=C/CSCOC(C)C 62a_100000709892_100102629194 [0,1,0,0,0,0|2,0,1]=4 854 B9R0.2 C/C=C/CSCOC(C)C 62a_100102629194_100000709892 [0,1,0,0,0,0|2,0,1]=4 855 B9R0.2 C=C(C)CCOC/C=C/C 34a_100000764851_100102629194 [0,1,0,0,0,0|3,0,0]=4 856 B9R0.2 C=C(C)CCOC/C=C/C 34a_100016270725_100000730704 [0,1,0,0,0,0|3,0,0]=4 857 B9R0.2 C=C(C)CCOCC=CC 34a_100000764851_100000070051 [0,1,0,0,0,0|3,0,0]=4 858 B9R0.2 C=C(C)CCSC/C=C/C 62a_100000730704_100102629194 [0,1,0,0,0,0|3,0,0]=4 859 B9R0.2 C=C(C)CCSC/C=C/C 62a_100102629194_100000730704 [0,1,0,0,0,0|3,0,0]=4 860 B9R0.2 C=C(C)CCSCC=CC 62a_100000070051_100000730704 [0,1,0,0,0,0|3,0,0]=4 861 B9R0.2 C=C(C)CCSCC=CC 62a_100000730704_100000070051 [0,1,0,0,0,0|3,0,0]=4 862 B9R0.2 C=C(C)COCC/C=C/C 34a_100016278192_100000748629 [0,1,0,0,0,0|1,0,2]=4 863 B9R0.2 C=C(C)COCCCCBr 34a_100011216708_100000748629 [0,1,0,0,0,0|2,0,1]=4 864 B9R0.2 C=C(C)COCCCCC 34a_100000210245_100000718602 [0,1,0,0,0,0|1,0,2]=4 865 B9R0.2 C=C(C)COCCCCC 34a_100000210253_100000748629 [0,1,0,0,0,0|1,0,2]=4 866 B9R0.2 C=C(C)COCCCCC 7a_100000210253_100000748629 [0,1,0,0,0,0|1,0,2]=4 867 B9R0.2 C=C(C)COCCCCCl 34a_100000210776_100000748629 [0,1,0,0,0,0|2,0,1]=4 868 B9R0.2 C=C(C)COCCCCCl 7a_100000210776_100000748629 [0,1,0,0,0,0|2,0,1]=4 869 B9R0.2 C=C(C)COCCCCF 34a_100000210245_100000729493 [0,1,0,0,0,0|2,0,1]=4 870 B9R0.2 C=C(C)COCCCCF 34a_100011995726_100000748629 [0,1,0,0,0,0|2,0,1]=4 871 B9R0.2 C=C(C)COCCCCF 7a_100011995726_100000748629 [0,1,0,0,0,0|2,0,1]=4 872 B9R0.2 C=C(C)COCCCCI 34a_200012148704_100000748629 [0,1,0,0,0,0|2,0,1]=4 873 B9R0.2 C=C(C)COCCCCN 34a_100000750430_100000748629 [0,1,0,0,0,0|2,0,1]=4 874 B9R0.2 C=C(C)COCCCCO 34a_100000210245_100011216708 [0,1,0,0,0,0|2,0,1]=4 875 B9R0.2 C=C(C)COCCCNC 34a_100000213112_100000748629 [0,1,0,0,0,0|2,0,1]=4 876 B9R0.2 C=C(C)COCCCOC 34a_100000210245_100000740836 [0,1,0,0,0,0|2,0,1]=4 877 B9R0.2 C=C(C)COCCCOC 34a_100000740835_100000748629 [0,1,0,0,0,0|2,0,1]=4 878 B9R0.2 C=C(C)COCCCSC 34a_100000690336_100000748629 [0,1,0,0,0,0|2,0,1]=4 879 B9R0.2 C=C(C)COCCCSC 7a_100000690336_100000748629 [0,1,0,0,0,0|2,0,1]=4 880 B9R0.2 C=C(C)CSCCCC=O 62a_100000748629_200011292268 [0,1,0,0,0,0|2,1,0]=4 881 B9R0.2 C=C(C)CSCCCC=O 62a_200011292268_100000211660 [0,1,0,0,0,0|2,1,0]=4 882 B9R0.2 C=CCCC=NNC(=O)C 4a_100000189765_100011216789 [0,1,0,0,0,0|1,0,1]=3 883 B9R0.2 C=CCCCCCC(=O)C 1458a_100000070787_100000700193 [0,1,0,0,0,0|1,0,0]=2 884 B9R0.2 C=CCCCCCC(=O)C 1458a_100011934241_200000210301 [0,1,0,0,0,0|1,0,0]=2 885 B9R0.2 C=CCCCCCC(=O)[13CH3] 1458a_100011934241_200025704644 [0,1,0,0,0,0|1,0,0]=2 886 B9R0.2 C=CCCCCCN(C)C 2230a_100102631434_100000700193 [0,1,0,0,0,0|3,0,0]=4 887 B9R0.2 C=CCCCCCN(C)C 269982a_100102631434_100000700193 [0,1,0,0,0,0|3,0,0]=4 888 B9R0.2 C=CCCCCNC(=O)C 11a_100000703577_100015343762 [0,1,0,0,0,0|1,0,0]=2 889 B9R0.2 C=CCCCCNC(=O)C 1626a_100000703577_100015343762 [0,1,0,0,0,0|1,0,0]=2 890 B9R0.2 C=CCCCCNC(=O)C 240690a_100000703577_100015343762 [0,1,0,0,0,0|1,0,0]=2 891 B9R0.2 C=CCCCCNC(=O)C 527a_100000703577_100103153847 [0,1,0,0,0,0|1,0,0]=2 892 B9R0.2 C=CCCCCNC(C)C 2230a_100000703577_100000210206 [0,1,0,0,0,0|2,0,1]=4 893 B9R0.2 C=CCCCCNC(C)C 2230a_100138425928_100011215482 [0,1,0,0,0,0|2,0,1]=4 894 B9R0.2 C=CCCCCNC(C)C 34a_100000703577_100000210206 [0,1,0,0,0,0|2,0,1]=4 895 B9R0.2 C=CCCCCNC(C)C 34a_100138425928_100011215482 [0,1,0,0,0,0|2,0,1]=4 896 B9R0.2 C=CCCCCOC(C)C 34a_100000212225_100011215482 [0,1,0,0,0,0|1,0,1]=3 897 B9R0.2 C=CCCCCOC(C)C 34a_100000766645_100000210206 [0,1,0,0,0,0|1,0,1]=3 898 B9R0.2 C=CCCCCOC(C)C 7a_100000766645_100000210206 [0,1,0,0,0,0|1,0,1]=3 899 B9R0.2 C=CCCCCSC(C)C 62a_100000210206_100011215482 [0,1,0,0,0,0|1,1,1]=4 900 B9R0.2 C=CCCCCSC(C)C 62a_100011215482_100000210206 [0,1,0,0,0,0|1,1,1]=4 901 B9R0.2 C=CCCCNCC(=C)C 2230a_100000700776_100000748629 [0,1,0,0,0,0|2,0,0]=3 902 B9R0.2 C=CCCCNCC(=C)C 34a_100000700776_100000748629 [0,1,0,0,0,0|2,0,0]=3 903 B9R0.2 C=CCCCNCC(=C)F 2230a_100000700776_100009893438 [0,1,0,0,0,0|2,0,1]=4 904 B9R0.2 C=CCCCNCC(=C)F 34a_100000700776_100009893438 [0,1,0,0,0,0|2,0,1]=4 905 B9R0.2 C=CCCCNCC(=O)N 2230a_100000700776_100000747473 [0,1,0,0,0,0|2,0,0]=3 906 B9R0.2 C=CCCCNCC(=O)N 2230a_100000711301_100011713584 [0,1,0,0,0,0|2,0,0]=3 907 B9R0.2 C=CCCCNCC(=O)N 34a_100000700776_100000187820 [0,1,0,0,0,0|2,0,0]=3 908 B9R0.2 C=CCCCNCC(=O)O 269956a_100016091260_100011713584 [0,1,0,0,0,0|2,0,0]=3 909 B9R0.2 C=CCCCNCC(=O)[O-] 34a_100000700776_100020667443 [0,1,0,0,0,0|2,0,0]=3 910 B9R0.2 C=CCCCNCC(C)C 2230a_100000210953_100011713584 [0,1,0,0,0,0|2,0,1]=4 911 B9R0.2 C=CCCCNCC(C)C 2230a_100000700776_100000210760 [0,1,0,0,0,0|2,0,1]=4 912 B9R0.2 C=CCCCNCC(C)C 270004a_100000700776_100000210432 [0,1,0,0,0,0|2,0,1]=4 913 B9R0.2 C=CCCCNCC(C)C 34a_100000210953_100000757094 [0,1,0,0,0,0|2,0,1]=4 914 B9R0.2 C=CCCCNCC(C)C 34a_100000700776_100000210624 [0,1,0,0,0,0|2,0,1]=4 915 B9R0.2 C=CCCCNCC(C)O 2230a_100000210904_100011713584 [0,1,0,0,0,0|1,0,2]=4 916 B9R0.2 C=CCCCNCC(C)O 2230a_100000700776_100011218427 [0,1,0,0,0,0|1,0,2]=4 917 B9R0.2 C=CCCCNCC(C)O 34a_100000210904_100000757094 [0,1,0,0,0,0|1,0,2]=4 918 B9R0.2 C=CCCCNCC(C)O 34a_100000700776_100011218427 [0,1,0,0,0,0|1,0,2]=4 919 B9R0.2 C=CCCCNC[C@@H](C)O 2230a_100000700776_100009817552 [0,1,0,0,0,0|1,0,2]=4 920 B9R0.2 C=CCCCNC[C@@H](C)O 34a_100000700776_100009817552 [0,1,0,0,0,0|1,0,2]=4 921 B9R0.2 C=CCCCNC[N+](=O)[O-] 34a_100000700776_100000761209 [0,1,0,0,0,0|3,0,0]=4 922 B9R0.2 C=CCCCOCC(=C)C 34a_100000210245_100000757094 [0,1,0,0,0,0|1,0,0]=2 923 B9R0.2 C=CCCCOCC(=C)C 34a_100000758997_100000748629 [0,1,0,0,0,0|1,0,0]=2 924 B9R0.2 C=CCCCOCC(=C)C 7a_100000758997_100000748629 [0,1,0,0,0,0|1,0,0]=2 925 B9R0.2 C=CCCCOCC(=C)F 34a_100000758997_100009893438 [0,1,0,0,0,0|1,0,1]=3 926 B9R0.2 C=CCCCOCC(=C)F 34a_200010262243_100000757094 [0,1,0,0,0,0|1,0,1]=3 927 B9R0.2 C=CCCCOCC(=C)F 7a_100000758997_100000042424 [0,1,0,0,0,0|1,0,1]=3 928 B9R0.2 C=CCCCOCC(=O)C 34a_100000211253_100000757094 [0,1,0,0,0,0|0,0,0]=1 929 B9R0.2 C=CCCCOCC(=O)N 34a_100000758997_100000187820 [0,1,0,0,0,0|1,0,0]=2 930 B9R0.2 C=CCCCOCC(=O)N 7a_100000758997_100000187820 [0,1,0,0,0,0|1,0,0]=2 931 B9R0.2 C=CCCCOCC(=O)[O-] 34a_100000758997_100020667443 [0,1,0,0,0,0|1,0,0]=2 932 B9R0.2 C=CCCCOCC(C)Br 34a_100012180447_100000757094 [0,1,0,0,0,0|1,0,1]=3 933 B9R0.2 C=CCCCOCC(C)C 34a_100000210257_100000757094 [0,1,0,0,0,0|1,0,1]=3 934 B9R0.2 C=CCCCOCC(C)C 34a_100000758997_100000210624 [0,1,0,0,0,0|1,0,1]=3 935 B9R0.2 C=CCCCOCC(C)C 7a_100000758997_100000210760 [0,1,0,0,0,0|1,0,1]=3 936 B9R0.2 C=CCCCOCC(C)F 34a_100015925927_100000757094 [0,1,0,0,0,0|1,0,1]=3 937 B9R0.2 C=CCCCOCC(C)O 34a_100000758997_100011218427 [0,1,0,0,0,0|0,0,2]=3 938 B9R0.2 C=CCCCOCC(C)O 7a_100000758997_100011218427 [0,1,0,0,0,0|0,0,2]=3 939 B9R0.2 C=CCCCOCC(F)F 34a_100000743014_100000757094 [0,1,0,0,0,0|2,0,1]=4 940 B9R0.2 C=CCCCOCC(F)F 34a_100000758997_100011934356 [0,1,0,0,0,0|2,0,1]=4 941 B9R0.2 C=CCCCOCC(F)F 7a_100000758997_100011934356 [0,1,0,0,0,0|2,0,1]=4 942 B9R0.2 C=CCCCOC[C@@H](C)Cl 34a_100016084084_100000757094 [0,1,0,0,0,0|1,0,1]=3 943 B9R0.2 C=CCCCOC[C@@H](C)N 34a_100000737577_100000757094 [0,1,0,0,0,0|1,0,1]=3 944 B9R0.2 C=CCCCOC[C@@H](C)O 34a_100000758997_100009817552 [0,1,0,0,0,0|0,0,2]=3 945 B9R0.2 C=CCCCOC[C@@H](C)O 7a_100000758997_100009817552 [0,1,0,0,0,0|0,0,2]=3 946 B9R0.2 C=CCCCOC[N+](=O)[O-] 34a_100000758997_100000761209 [0,1,0,0,0,0|2,0,0]=3 947 B9R0.2 C=CCCCSCC(=C)C 62a_100000748629_100000757094 [0,1,0,0,0,0|1,1,0]=3 948 B9R0.2 C=CCCCSCC(=C)C 62a_100011713584_100000211660 [0,1,0,0,0,0|1,1,0]=3 949 B9R0.2 C=CCCCSCC(=C)F 62a_100000042424_100000757094 [0,1,0,0,0,0|1,1,1]=4 950 B9R0.2 C=CCCCSCC(=C)F 62a_100011713584_100000042424 [0,1,0,0,0,0|1,1,1]=4 951 B9R0.2 C=CCCCSCC(=O)N 62a_100000747473_100000757094 [0,1,0,0,0,0|1,1,0]=3 952 B9R0.2 C=CCCCSCC(=O)N 62a_100011713584_100000747473 [0,1,0,0,0,0|1,1,0]=3 953 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100011713584_100020667443 [0,1,0,0,0,0|1,1,0]=3 954 B9R0.2 C=CCCCSCC(=O)[O-] 62a_100020667443_100000757094 [0,1,0,0,0,0|1,1,0]=3 955 B9R0.2 C=CCCCSCC(C)C 62a_100000210624_100000757094 [0,1,0,0,0,0|1,1,1]=4 956 B9R0.2 C=CCCCSCC(C)C 62a_100011713584_100000210760 [0,1,0,0,0,0|1,1,1]=4 957 B9R0.2 C=CCCCSCC(C)O 62a_100011218427_100000757094 [0,1,0,0,0,0|0,1,2]=4 958 B9R0.2 C=CCCCSCC(C)O 62a_100011713584_100011218427 [0,1,0,0,0,0|0,1,2]=4 959 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100009817552_100000757094 [0,1,0,0,0,0|0,1,2]=4 960 B9R0.2 C=CCCCSC[C@@H](C)O 62a_100011713584_100009817552 [0,1,0,0,0,0|0,1,2]=4 961 B9R0.2 C=CCCCSC[N+](=O)[O-] 62a_100011713584_100000761209 [0,1,0,0,0,0|2,1,0]=4 962 B9R0.2 C=CCCNCC=C(C)C 2230a_100015191253_100000761012 [0,1,0,0,0,0|2,0,0]=3 963 B9R0.2 C=CCCNCC=C(C)C 34a_100000718196_100000754431 [0,1,0,0,0,0|2,0,0]=3 964 B9R0.2 C=CCCNCCC(=C)C 2230a_100015191253_100000730704 [0,1,0,0,0,0|2,0,0]=3 965 B9R0.2 C=CCCNCCC(=O)N 2230a_100015191253_100000744528 [0,1,0,0,0,0|2,0,0]=3 966 B9R0.2 C=CCCNCCC(C)C 2230a_100015191253_100000210312 [0,1,0,0,0,0|2,0,1]=4 967 B9R0.2 C=CCCNCCC(C)C 269862a_100015191253_100000185833 [0,1,0,0,0,0|2,0,1]=4 968 B9R0.2 C=CCCNCCC(C)O 2230a_100015191253_100012276601 [0,1,0,0,0,0|1,0,2]=4 969 B9R0.2 C=CCCNCCC(C)O 2230a_200000755665_100000754431 [0,1,0,0,0,0|1,0,2]=4 970 B9R0.2 C=CCCNCOC(C)C 2230a_100015191253_100000709892 [0,1,0,0,0,0|1,0,1]=3 971 B9R0.2 C=CCCNOCC(=O)O 269956a_100000106656_100000754431 [0,1,0,0,0,0|2,0,0]=3 972 B9R0.2 C=CCCOCC=C(C)C 34a_100000753907_100000754431 [0,1,0,0,0,0|2,0,0]=3 973 B9R0.2 C=CCCOCC=C(C)C 34a_100011205117_100000761012 [0,1,0,0,0,0|2,0,0]=3 974 B9R0.2 C=CCCOCCC(=C)Br 34a_100009813270_100000754431 [0,1,0,0,0,0|2,0,1]=4 975 B9R0.2 C=CCCOCCC(=C)C 34a_100000764851_100000754431 [0,1,0,0,0,0|2,0,0]=3 976 B9R0.2 C=CCCOCCC(=C)C 34a_100011205117_100000730704 [0,1,0,0,0,0|2,0,0]=3 977 B9R0.2 C=CCCOCCC(=O)C 34a_100000759926_100000754431 [0,1,0,0,0,0|1,0,0]=2 978 B9R0.2 C=CCCOCCC(=O)C 7a_100000759926_100000754431 [0,1,0,0,0,0|1,0,0]=2 979 B9R0.2 C=CCCOCCC(=O)N 34a_100000757172_100000754431 [0,1,0,0,0,0|2,0,0]=3 980 B9R0.2 C=CCCOCCC(=O)N 34a_100011205117_100000731001 [0,1,0,0,0,0|2,0,0]=3 981 B9R0.2 C=CCCOCCC(=O)N 7a_100000757172_100000754431 [0,1,0,0,0,0|2,0,0]=3 982 B9R0.2 C=CCCOCCC(C)Br 34a_100009893172_100000754431 [0,1,0,0,0,0|2,0,1]=4 983 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [0,1,0,0,0,0|2,0,1]=4 984 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [0,1,0,0,0,0|2,0,1]=4 985 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [0,1,0,0,0,0|2,0,1]=4 986 B9R0.2 C=CCCOCCC(C)O 34a_100011205117_100012276601 [0,1,0,0,0,0|1,0,2]=4 987 B9R0.2 C=CCCOCC[C@@H](C)N 34a_100000706166_100000754431 [0,1,0,0,0,0|2,0,1]=4 988 B9R0.2 C=CCCOCOC(=O)C 34a_100011205117_100009813279 [0,1,0,0,0,0|0,0,0]=1 989 B9R0.2 C=CCCOCOC(C)C 34a_100011205117_100000709892 [0,1,0,0,0,0|1,0,1]=3 990 B9R0.2 C=CCCSCC=C(C)C 62a_100000754431_100000761012 [0,1,0,0,0,0|2,0,0]=3 991 B9R0.2 C=CCCSCC=C(C)C 62a_100000761012_100000754431 [0,1,0,0,0,0|2,0,0]=3 992 B9R0.2 C=CCCSCCC(=C)C 62a_100000730704_100000754431 [0,1,0,0,0,0|2,0,0]=3 993 B9R0.2 C=CCCSCCC(=C)C 62a_100000754431_100000730704 [0,1,0,0,0,0|2,0,0]=3 994 B9R0.2 C=CCCSCCC(=O)C 62a_100000053229_100000754431 [0,1,0,0,0,0|1,0,0]=2 995 B9R0.2 C=CCCSCCC(=O)C 62a_100000754431_100000053229 [0,1,0,0,0,0|1,0,0]=2 996 B9R0.2 C=CCCSCCC(=O)N 62a_100000744528_100000754431 [0,1,0,0,0,0|2,0,0]=3 997 B9R0.2 C=CCCSCCC(=O)N 62a_100000754431_100000744528 [0,1,0,0,0,0|2,0,0]=3 998 B9R0.2 C=CCCSCCC(C)C 62a_100000210312_100000754431 [0,1,0,0,0,0|2,0,1]=4 999 B9R0.2 C=CCCSCCC(C)C 62a_100000754431_100000210312 [0,1,0,0,0,0|2,0,1]=4 1000 B9R0.2 C=CCCSCCC(C)O 62a_100000754431_100012276601 [0,1,0,0,0,0|1,0,2]=4 1001 B9R0.2 C=CCCSCCC(C)O 62a_100012276601_100000754431 [0,1,0,0,0,0|1,0,2]=4 1002 B9R0.2 C=CCCSCCN(C)C 62a_100000754431_100000755713 [0,1,0,0,0,0|3,0,0]=4 1003 B9R0.2 C=CCCSCOC(=O)C 62a_100000076356_100000754431 [0,1,0,0,0,0|0,0,0]=1 1004 B9R0.2 C=CCCSCOC(=O)C 62a_100000754431_100000076356 [0,1,0,0,0,0|0,0,0]=1 1005 B9R0.2 C=CCCSCOC(C)C 62a_100000709892_100000754431 [0,1,0,0,0,0|1,0,1]=3 1006 B9R0.2 C=CCCSCOC(C)C 62a_100000754431_100000709892 [0,1,0,0,0,0|1,0,1]=3 1007 B9R0.2 C=CCNCCC=C(C)C 2230a_100020586998_100011217483 [0,1,0,0,0,0|2,0,0]=3 1008 B9R0.2 C=CCNCCC=C(F)F 2230a_100020586998_200009816681 [0,1,0,0,0,0|3,0,0]=4 1009 B9R0.2 C=CCNCCCC(=O)N 34a_100000739312_100015514636 [0,1,0,0,0,0|2,0,0]=3 1010 B9R0.2 C=CCNCCCC(C)C 2230a_100020586998_100011214892 [0,1,0,0,0,0|2,0,1]=4 1011 B9R0.2 C=CCNCCCC(C)C 2230a_200000737386_100000210623 [0,1,0,0,0,0|2,0,1]=4 1012 B9R0.2 C=CCNCCCC(C)C 34a_200000737386_100015514636 [0,1,0,0,0,0|2,0,1]=4 1013 B9R0.2 C=CCNCCCC(C)O 2230a_100020586998_200000718107 [0,1,0,0,0,0|1,0,2]=4 1014 B9R0.2 C=CCNCCCS(=O)C 2230a_200000753449_100000210623 [0,1,0,0,0,0|2,0,0]=3 1015 B9R0.2 C=CCNCCNC(=O)C 2230a_100000209853_100000210623 [0,1,0,0,0,0|1,0,0]=2 1016 B9R0.2 C=CCNCCNC(=O)C 2230a_100020586998_100000189650 [0,1,0,0,0,0|1,0,0]=2 1017 B9R0.2 C=CCNCCNC(=O)N 2230a_100020586998_200000034859 [0,1,0,0,0,0|2,0,0]=3 1018 B9R0.2 C=CCNCCNC(=O)N 34a_100020590234_100015514636 [0,1,0,0,0,0|2,0,0]=3 1019 B9R0.2 C=CCNCCOC(C)C 2230a_100000701111_100000210623 [0,1,0,0,0,0|1,0,1]=3 1020 B9R0.2 C=CCNCCOC(C)C 2230a_100020586998_100000211751 [0,1,0,0,0,0|1,0,1]=3 1021 B9R0.2 C=CCNCCOC(C)C 34a_100000701111_100015514636 [0,1,0,0,0,0|1,0,1]=3 1022 B9R0.2 C=CCNCCSC(C)C 2230a_100000731138_100000210623 [0,1,0,0,0,0|1,1,1]=4 1023 B9R0.2 C=CCNCCSC(C)C 2230a_100020586998_100000730970 [0,1,0,0,0,0|1,1,1]=4 1024 B9R0.2 C=CCNCCSC(C)C 34a_100000731138_100015514636 [0,1,0,0,0,0|1,1,1]=4 1025 B9R0.2 C=CCOCCC=C(C)C 34a_200000210373_100011217483 [0,1,0,0,0,0|2,0,0]=3 1026 B9R0.2 C=CCOCCC=C(F)F 34a_200000210373_200009816681 [0,1,0,0,0,0|3,0,0]=4 1027 B9R0.2 C=CCOCCCC(=O)C 34a_100000759063_100015514636 [0,1,0,0,0,0|1,0,0]=2 1028 B9R0.2 C=CCOCCCC(=O)C 34a_200000210373_100000685027 [0,1,0,0,0,0|1,0,0]=2 1029 B9R0.2 C=CCOCCCC(=O)C 7a_100000759063_100015514636 [0,1,0,0,0,0|1,0,0]=2 1030 B9R0.2 C=CCOCCCC(=O)N 34a_200000210373_100102525003 [0,1,0,0,0,0|2,0,0]=3 1031 B9R0.2 C=CCOCCCC(C)C 34a_100000210774_100015514636 [0,1,0,0,0,0|2,0,1]=4 1032 B9R0.2 C=CCOCCCC(C)C 34a_200000210373_100011214892 [0,1,0,0,0,0|2,0,1]=4 1033 B9R0.2 C=CCOCCCC(C)C 7a_100000210774_100015514636 [0,1,0,0,0,0|2,0,1]=4 1034 B9R0.2 C=CCOCCCC(C)O 34a_200000210373_200000718107 [0,1,0,0,0,0|1,0,2]=4 1035 B9R0.2 C=CCOCCC[N+](=O)[O-] 34a_200000037920_100015514636 [0,1,0,0,0,0|3,0,0]=4 1036 B9R0.2 C=CCOCCNC(=O)C 34a_100000158858_100015514636 [0,1,0,0,0,0|1,0,0]=2 1037 B9R0.2 C=CCOCCNC(=O)N 34a_100000181757_100015514636 [0,1,0,0,0,0|2,0,0]=3 1038 B9R0.2 C=CCOCCNC(C)C 34a_100000224655_100015514636 [0,1,0,0,0,0|2,0,1]=4 1039 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [0,1,0,0,0,0|0,0,0]=1 1040 B9R0.2 C=CCOCCOC(=O)N 34a_200000210373_200011214921 [0,1,0,0,0,0|1,0,0]=2 1041 B9R0.2 C=CCOCCOC(=O)N 7a_100000766696_100015514636 [0,1,0,0,0,0|1,0,0]=2 1042 B9R0.2 C=CCOCCOC(C)C 34a_100000037705_100000210206 [0,1,0,0,0,0|1,0,1]=3 1043 B9R0.2 C=CCOCCOC(C)C 34a_100000211219_100015514636 [0,1,0,0,0,0|1,0,1]=3 1044 B9R0.2 C=CCOCCOC(C)C 34a_200000210373_100000211751 [0,1,0,0,0,0|1,0,1]=3 1045 B9R0.2 C=CCOCCOC(C)C 7a_100000037705_100000210206 [0,1,0,0,0,0|1,0,1]=3 1046 B9R0.2 C=CCOCCOC(C)C 7a_100000211219_100015514636 [0,1,0,0,0,0|1,0,1]=3 1047 B9R0.2 C=CCOCCSC(C)C 34a_200000210373_100000730970 [0,1,0,0,0,0|1,1,1]=4 1048 B9R0.2 C=CCOCCSC(C)C 34a_200011212901_100015514636 [0,1,0,0,0,0|1,1,1]=4 1049 B9R0.2 C=CCOCCSC(C)C 7a_200011212901_100015514636 [0,1,0,0,0,0|1,1,1]=4 1050 B9R0.2 C=CCSCCC=C(C)C 62a_100000210623_100011217483 [0,1,0,0,0,0|2,0,0]=3 1051 B9R0.2 C=CCSCCC=C(C)C 62a_100011217483_100000210623 [0,1,0,0,0,0|2,0,0]=3 1052 B9R0.2 C=CCSCCC=C(F)F 62a_100000210623_200009816681 [0,1,0,0,0,0|3,0,0]=4 1053 B9R0.2 C=CCSCCC=C(F)F 62a_200009816681_100000210623 [0,1,0,0,0,0|3,0,0]=4 1054 B9R0.2 C=CCSCCCC(=O)C 62a_100000210623_100011215641 [0,1,0,0,0,0|1,0,0]=2 1055 B9R0.2 C=CCSCCCC(=O)C 62a_100011215641_100000210623 [0,1,0,0,0,0|1,0,0]=2 1056 B9R0.2 C=CCSCCCC(=O)N 62a_100000210623_100102525003 [0,1,0,0,0,0|2,0,0]=3 1057 B9R0.2 C=CCSCCCC(=O)N 62a_100102525003_100000210623 [0,1,0,0,0,0|2,0,0]=3 1058 B9R0.2 C=CCSCCCC(C)C 62a_100000210623_100011214892 [0,1,0,0,0,0|2,0,1]=4 1059 B9R0.2 C=CCSCCCC(C)C 62a_100011214892_100000210623 [0,1,0,0,0,0|2,0,1]=4 1060 B9R0.2 C=CCSCCCC(C)O 62a_100000210623_200000718107 [0,1,0,0,0,0|1,0,2]=4 1061 B9R0.2 C=CCSCCCC(C)O 62a_200000718107_100000210623 [0,1,0,0,0,0|1,0,2]=4 1062 B9R0.2 C=CCSCCCN(C)C 62a_100000210623_100000757444 [0,1,0,0,0,0|3,0,0]=4 1063 B9R0.2 C=CCSCCNC(=O)C 62a_100000189650_100000210623 [0,1,0,0,0,0|1,0,0]=2 1064 B9R0.2 C=CCSCCNC(=O)C 62a_100000210623_100000189650 [0,1,0,0,0,0|1,0,0]=2 1065 B9R0.2 C=CCSCCNC(=O)N 62a_100000210623_200000034859 [0,1,0,0,0,0|2,0,0]=3 1066 B9R0.2 C=CCSCCNC(=O)N 62a_200000034859_100000210623 [0,1,0,0,0,0|2,0,0]=3 1067 B9R0.2 C=CCSCCOC(=O)C 62a_100000210623_100009814007 [0,1,0,0,0,0|0,0,0]=1 1068 B9R0.2 C=CCSCCOC(=O)C 62a_100009814007_100000210623 [0,1,0,0,0,0|0,0,0]=1 1069 B9R0.2 C=CCSCCOC(=O)N 62a_100000210623_200011214921 [0,1,0,0,0,0|1,0,0]=2 1070 B9R0.2 C=CCSCCOC(=O)N 62a_200011214921_100000210623 [0,1,0,0,0,0|1,0,0]=2 1071 B9R0.2 C=CCSCCOC(C)C 62a_100000210623_100000211751 [0,1,0,0,0,0|1,0,1]=3 1072 B9R0.2 C=CCSCCOC(C)C 62a_100000211751_100000210623 [0,1,0,0,0,0|1,0,1]=3 1073 B9R0.2 C=CCSCCSC(C)C 62a_100000210623_100000730970 [0,1,0,0,0,0|1,1,1]=4 1074 B9R0.2 C=CCSCCSC(C)C 62a_100000730970_100000210623 [0,1,0,0,0,0|1,1,1]=4 1075 B9R0.2 C=COCCCNC(=O)C 11a_100000210767_100015343762 [0,1,0,0,0,0|1,0,0]=2 1076 B9R0.2 C=COCCCNC(=O)C 1626a_100000210767_100015343762 [0,1,0,0,0,0|1,0,0]=2 1077 B9R0.2 C=COCCCNC(=O)C 240690a_100000210767_100015343762 [0,1,0,0,0,0|1,0,0]=2 1078 B9R0.2 C=COCCCNC(=O)C 527a_100000210767_100103153847 [0,1,0,0,0,0|1,0,0]=2 1079 B9R0.2 C=COCCCNC(C)C 2230a_100000210767_100000210206 [0,1,0,0,0,0|2,0,1]=4 1080 B9R0.2 C=COCCCNC(C)C 34a_100000210767_100000210206 [0,1,0,0,0,0|2,0,1]=4 1081 B9R0.2 C=COCCNCC(=O)N 2230a_100000711301_100000039644 [0,1,0,0,0,0|3,0,0]=4 1082 B9R0.2 C=COCCNCC(=O)O 269956a_100016091260_100000039644 [0,1,0,0,0,0|3,0,0]=4 1083 B9R0.2 C=COCCOCC(=C)C 34a_100000033082_100000748629 [0,1,0,0,0,0|2,0,0]=3 1084 B9R0.2 C=COCCOCC(=C)C 34a_100000210245_100000039644 [0,1,0,0,0,0|2,0,0]=3 1085 B9R0.2 C=COCCOCC(=C)F 34a_100000033082_100009893438 [0,1,0,0,0,0|2,0,1]=4 1086 B9R0.2 C=COCCOCC(=C)F 34a_200010262243_100000039644 [0,1,0,0,0,0|2,0,1]=4 1087 B9R0.2 C=COCCOCC(=O)C 34a_100000211253_100000039644 [0,1,0,0,0,0|1,0,0]=2 1088 B9R0.2 C=COCCOCC(=O)N 34a_100000033082_100000187820 [0,1,0,0,0,0|2,0,0]=3 1089 B9R0.2 C=COCCOCC(=O)[O-] 34a_100000033082_100020667443 [0,1,0,0,0,0|2,0,0]=3 1090 B9R0.2 C=COCCOCC(C)Br 34a_100012180447_100000039644 [0,1,0,0,0,0|2,0,1]=4 1091 B9R0.2 C=COCCOCC(C)C 34a_100000033082_100000210624 [0,1,0,0,0,0|2,0,1]=4 1092 B9R0.2 C=COCCOCC(C)C 34a_100000210257_100000039644 [0,1,0,0,0,0|2,0,1]=4 1093 B9R0.2 C=COCCOCC(C)F 34a_100015925927_100000039644 [0,1,0,0,0,0|2,0,1]=4 1094 B9R0.2 C=COCCOCC(C)O 34a_100000033082_100011218427 [0,1,0,0,0,0|1,0,2]=4 1095 B9R0.2 C=COCCOC[C@@H](C)Cl 34a_100016084084_100000039644 [0,1,0,0,0,0|2,0,1]=4 1096 B9R0.2 C=COCCOC[C@@H](C)N 34a_100000737577_100000039644 [0,1,0,0,0,0|2,0,1]=4 1097 B9R0.2 C=COCCOC[C@@H](C)O 34a_100000033082_100009817552 [0,1,0,0,0,0|1,0,2]=4 1098 B9R0.2 C=COCCOC[N+](=O)[O-] 34a_100000033082_100000761209 [0,1,0,0,0,0|3,0,0]=4 1099 B9R0.2 C=COCCSCC(=C)C 62a_100000039644_100000211660 [0,1,0,0,0,0|2,1,0]=4 1100 B9R0.2 C=COCCSCC(=C)C 62a_100000748629_100000039644 [0,1,0,0,0,0|2,1,0]=4 1101 B9R0.2 C=COCCSCC(=O)N 62a_100000039644_100000747473 [0,1,0,0,0,0|2,1,0]=4 1102 B9R0.2 C=COCCSCC(=O)N 62a_100000747473_100000039644 [0,1,0,0,0,0|2,1,0]=4 1103 B9R0.2 C=COCCSCC(=O)[O-] 62a_100000039644_100020667443 [0,1,0,0,0,0|2,1,0]=4 1104 B9R0.2 C=COCCSCC(=O)[O-] 62a_100020667443_100000039644 [0,1,0,0,0,0|2,1,0]=4 1105 B9R0.2 CC#CCNCOC(=O)C 34a_100000685387_100009813279 [0,1,0,0,0,0|0,0,3]=4 1106 B9R0.2 CC#CCOCOC(=O)C 34a_100000761923_100009813279 [0,1,0,0,0,0|0,0,3]=4 1107 B9R0.2 CC#CCSCOC(=O)C 62a_100000076356_100000748600 [0,1,0,0,0,0|0,0,3]=4 1108 B9R0.2 CC#CCSCOC(=O)C 62a_100000748600_100000076356 [0,1,0,0,0,0|0,0,3]=4 1109 B9R0.2 CC(=CCCSCC=O)C 62a_100011217483_200015260668 [0,1,0,0,0,0|3,0,0]=4 1110 B9R0.2 CC(=CCCSCC=O)C 62a_200015260668_100011217483 [0,1,0,0,0,0|3,0,0]=4 1111 B9R0.2 CC(=O)CCCCCC#N 1458a_100000070787_100009813376 [0,1,0,0,0,0|1,0,2]=4 1112 B9R0.2 CC(=O)CCCCCCF 1458a_100000070787_100015922095 [0,1,0,0,0,0|1,0,2]=4 1113 B9R0.2 CC(=O)CCCCCCO 1458a_100000070787_100000766143 [0,1,0,0,0,0|1,0,2]=4 1114 B9R0.2 CC(=O)CCCCCCO 1458a_100011996774_200000210301 [0,1,0,0,0,0|1,0,2]=4 1115 B9R0.2 CC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200000210301 [0,1,0,0,0,0|3,0,0]=4 1116 B9R0.2 CC(=O)CCCCSCF 62a_100000735457_100015361967 [0,1,0,0,0,0|2,0,1]=4 1117 B9R0.2 CC(=O)CCCCSCF 62a_100015361967_100000735457 [0,1,0,0,0,0|2,0,1]=4 1118 B9R0.2 CC(=O)CCCNCCF 34a_100000724931_100000685027 [0,1,0,0,0,0|2,0,1]=4 1119 B9R0.2 CC(=O)CCCNCCO 34a_100016990907_100000685027 [0,1,0,0,0,0|2,0,1]=4 1120 B9R0.2 CC(=O)CCCOCC#N 7a_100000759063_100011215382 [0,1,0,0,0,0|2,0,1]=4 1121 B9R0.2 CC(=O)CCCOCC=O 34a_100000759063_200009817547 [0,1,0,0,0,0|2,0,0]=3 1122 B9R0.2 CC(=O)CCCOCC=O 7a_100000759063_200015260668 [0,1,0,0,0,0|2,0,0]=3 1123 B9R0.2 CC(=O)CCCOCCBr 34a_100000211926_100000685027 [0,1,0,0,0,0|2,0,1]=4 1124 B9R0.2 CC(=O)CCCOCCF 34a_100000759063_100011217306 [0,1,0,0,0,0|2,0,1]=4 1125 B9R0.2 CC(=O)CCCOCCF 7a_100000759063_100011217306 [0,1,0,0,0,0|2,0,1]=4 1126 B9R0.2 CC(=O)CCCOCCN 34a_100000210304_100000685027 [0,1,0,0,0,0|2,0,1]=4 1127 B9R0.2 CC(=O)CCCOCCO 34a_100000759063_100000211926 [0,1,0,0,0,0|2,0,1]=4 1128 B9R0.2 CC(=O)CCCOCCO 7a_100000759063_100000211926 [0,1,0,0,0,0|2,0,1]=4 1129 B9R0.2 CC(=O)CCCSCC#N 62a_100011215382_100011215641 [0,1,0,0,0,0|2,0,1]=4 1130 B9R0.2 CC(=O)CCCSCC#N 62a_100011215641_100011215382 [0,1,0,0,0,0|2,0,1]=4 1131 B9R0.2 CC(=O)CCCSCC=O 62a_100011215641_200015260668 [0,1,0,0,0,0|2,0,0]=3 1132 B9R0.2 CC(=O)CCCSCC=O 62a_200015260668_100011215641 [0,1,0,0,0,0|2,0,0]=3 1133 B9R0.2 CC(=O)CCCSCCF 62a_100011215641_100011217306 [0,1,0,0,0,0|2,0,1]=4 1134 B9R0.2 CC(=O)CCCSCCF 62a_100011217306_100011215641 [0,1,0,0,0,0|2,0,1]=4 1135 B9R0.2 CC(=O)CCCSCCO 62a_100000211926_100011215641 [0,1,0,0,0,0|2,0,1]=4 1136 B9R0.2 CC(=O)CCCSCCO 62a_100011215641_100000211926 [0,1,0,0,0,0|2,0,1]=4 1137 B9R0.2 CC(=O)CCOCCC#N 7a_100000759926_100000184422 [0,1,0,0,0,0|2,0,1]=4 1138 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [0,1,0,0,0,0|2,0,1]=4 1139 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [0,1,0,0,0,0|2,0,1]=4 1140 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [0,1,0,0,0,0|2,0,1]=4 1141 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [0,1,0,0,0,0|2,0,1]=4 1142 B9R0.2 CC(=O)CCSCCC#N 62a_100000053229_100011215226 [0,1,0,0,0,0|2,0,1]=4 1143 B9R0.2 CC(=O)CCSCCC#N 62a_100011215226_100000053229 [0,1,0,0,0,0|2,0,1]=4 1144 B9R0.2 CC(=O)CCSCCCF 62a_100000053229_100011934791 [0,1,0,0,0,0|2,0,1]=4 1145 B9R0.2 CC(=O)CCSCCCF 62a_100011934791_100000053229 [0,1,0,0,0,0|2,0,1]=4 1146 B9R0.2 CC(=O)CCSCCCO 62a_100000053229_100011215043 [0,1,0,0,0,0|2,0,1]=4 1147 B9R0.2 CC(=O)CCSCCCO 62a_100011215043_100000053229 [0,1,0,0,0,0|2,0,1]=4 1148 B9R0.2 CC(=O)COCCCCF 34a_100000211253_100000729493 [0,1,0,0,0,0|1,0,1]=3 1149 B9R0.2 CC(=O)COCCCCO 34a_100000211253_100011216708 [0,1,0,0,0,0|1,0,1]=3 1150 B9R0.2 CC(=O)NCCCCC#N 11a_100000751965_100015343762 [0,1,0,0,0,0|1,0,2]=4 1151 B9R0.2 CC(=O)NCCCCC#N 1626a_100000751965_100015343762 [0,1,0,0,0,0|1,0,2]=4 1152 B9R0.2 CC(=O)NCCCCC#N 240690a_100000751965_100015343762 [0,1,0,0,0,0|1,0,2]=4 1153 B9R0.2 CC(=O)NCCCCC#N 527a_100000751965_100103153847 [0,1,0,0,0,0|1,0,2]=4 1154 B9R0.2 CC(=O)NCCCCCO 240690a_100000762737_100015343762 [0,1,0,0,0,0|1,0,2]=4 1155 B9R0.2 CC(=O)NCCCCN[13CH3] 2230a_200011368371_200025704644 [0,1,0,0,0,0|1,0,2]=4 1156 B9R0.2 CC(=O)NCCCCN[13CH3] 34a_200011368371_200025704644 [0,1,0,0,0,0|1,0,2]=4 1157 B9R0.2 CC(=O)NCCCN=[N+]=[N-] 240690a_100000744732_100015343762 [0,1,0,0,0,0|3,0,0]=4 1158 B9R0.2 CC(=O)NCCCNCF 34a_100000736810_100015361967 [0,1,0,0,0,0|2,0,1]=4 1159 B9R0.2 CC(=O)NCCCOCF 34a_100000752032_100015361967 [0,1,0,0,0,0|2,0,1]=4 1160 B9R0.2 CC(=O)NCCNCC#N 2230a_100000209853_100011215382 [0,1,0,0,0,0|2,0,1]=4 1161 B9R0.2 CC(=O)NCCNCC=O 2230a_100000209853_200015260668 [0,1,0,0,0,0|2,0,0]=3 1162 B9R0.2 CC(=O)NCCNCCF 2230a_100000209853_100011217306 [0,1,0,0,0,0|2,0,1]=4 1163 B9R0.2 CC(=O)NCCNCCO 2230a_100000209853_100000211926 [0,1,0,0,0,0|2,0,1]=4 1164 B9R0.2 CC(=O)NCCNCCO 2230a_100016997473_100000189650 [0,1,0,0,0,0|2,0,1]=4 1165 B9R0.2 CC(=O)NCCOCC=O 34a_100000158858_200009817547 [0,1,0,0,0,0|2,0,0]=3 1166 B9R0.2 CC(=O)NCCOCCF 34a_100000158858_100011217306 [0,1,0,0,0,0|2,0,1]=4 1167 B9R0.2 CC(=O)NCCOCCO 240690a_100000211614_100015343762 [0,1,0,0,0,0|2,0,1]=4 1168 B9R0.2 CC(=O)NCCOCCO 34a_100000158858_100000211926 [0,1,0,0,0,0|2,0,1]=4 1169 B9R0.2 CC(=O)NCCSCC#N 62a_100000189650_100011215382 [0,1,0,0,0,0|2,0,1]=4 1170 B9R0.2 CC(=O)NCCSCC#N 62a_100011215382_100000189650 [0,1,0,0,0,0|2,0,1]=4 1171 B9R0.2 CC(=O)NCCSCC=O 62a_100000189650_200015260668 [0,1,0,0,0,0|2,0,0]=3 1172 B9R0.2 CC(=O)NCCSCC=O 62a_200015260668_100000189650 [0,1,0,0,0,0|2,0,0]=3 1173 B9R0.2 CC(=O)NCCSCCF 62a_100000189650_100011217306 [0,1,0,0,0,0|2,0,1]=4 1174 B9R0.2 CC(=O)NCCSCCF 62a_100011217306_100000189650 [0,1,0,0,0,0|2,0,1]=4 1175 B9R0.2 CC(=O)NCCSCCO 240690a_100011219999_100015343762 [0,1,0,0,0,0|2,0,1]=4 1176 B9R0.2 CC(=O)NCCSCCO 527a_100011219999_100103153847 [0,1,0,0,0,0|2,0,1]=4 1177 B9R0.2 CC(=O)NCCSCCO 62a_100000189650_100000211926 [0,1,0,0,0,0|2,0,1]=4 1178 B9R0.2 CC(=O)NCCSCCO 62a_100000211926_100000189650 [0,1,0,0,0,0|2,0,1]=4 1179 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,1,0,0,0,0|0,0,2]=3 1180 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,1,0,0,0,0|0,0,2]=3 1181 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,1,0,0,0,0|0,0,2]=3 1182 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,1,0,0,0,0|0,0,2]=3 1183 B9R0.2 CC(=O)OCCCSCF 62a_100000042594_100015361967 [0,1,0,0,0,0|1,0,1]=3 1184 B9R0.2 CC(=O)OCCCSCF 62a_100015361967_100000042594 [0,1,0,0,0,0|1,0,1]=3 1185 B9R0.2 CC(=O)OCCNCCF 34a_100000724931_100009814007 [0,1,0,0,0,0|1,0,1]=3 1186 B9R0.2 CC(=O)OCCNCCO 34a_100016990907_100009814007 [0,1,0,0,0,0|1,0,1]=3 1187 B9R0.2 CC(=O)OCCOCCBr 34a_100000211926_100009814007 [0,1,0,0,0,0|1,0,1]=3 1188 B9R0.2 CC(=O)OCCOCCN 34a_100000210304_100009814007 [0,1,0,0,0,0|1,0,1]=3 1189 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [0,1,0,0,0,0|1,0,1]=3 1190 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [0,1,0,0,0,0|1,0,1]=3 1191 B9R0.2 CC(=O)OCCSCC#N 62a_100009814007_100011215382 [0,1,0,0,0,0|1,0,1]=3 1192 B9R0.2 CC(=O)OCCSCC#N 62a_100011215382_100009814007 [0,1,0,0,0,0|1,0,1]=3 1193 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [0,1,0,0,0,0|1,0,0]=2 1194 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [0,1,0,0,0,0|1,0,0]=2 1195 B9R0.2 CC(=O)OCCSCCF 62a_100009814007_100011217306 [0,1,0,0,0,0|1,0,1]=3 1196 B9R0.2 CC(=O)OCCSCCF 62a_100011217306_100009814007 [0,1,0,0,0,0|1,0,1]=3 1197 B9R0.2 CC(=O)OCCSCCO 62a_100000211926_100009814007 [0,1,0,0,0,0|1,0,1]=3 1198 B9R0.2 CC(=O)OCCSCCO 62a_100009814007_100000211926 [0,1,0,0,0,0|1,0,1]=3 1199 B9R0.2 CC(=O)OCNCCCF 34a_100015189416_100009813279 [0,1,0,0,0,0|1,0,1]=3 1200 B9R0.2 CC(=O)OCOCCCBr 34a_100011217188_100009813279 [0,1,0,0,0,0|1,0,1]=3 1201 B9R0.2 CC(=O)OCOCCCCl 34a_100000230001_100009813279 [0,1,0,0,0,0|1,0,1]=3 1202 B9R0.2 CC(=O)OCOCCCF 34a_100000759539_100009813279 [0,1,0,0,0,0|1,0,1]=3 1203 B9R0.2 CC(=O)OCOCCCN 34a_100000182051_100009813279 [0,1,0,0,0,0|1,0,1]=3 1204 B9R0.2 CC(=O)OCOCCON 34a_100000700252_100009813279 [0,1,0,0,0,0|2,0,0]=3 1205 B9R0.2 CC(=O)OCSCCC#N 62a_100000076356_100011215226 [0,1,0,0,0,0|1,0,1]=3 1206 B9R0.2 CC(=O)OCSCCC#N 62a_100011215226_100000076356 [0,1,0,0,0,0|1,0,1]=3 1207 B9R0.2 CC(=O)OCSCCCF 62a_100000076356_100011934791 [0,1,0,0,0,0|1,0,1]=3 1208 B9R0.2 CC(=O)OCSCCCF 62a_100011934791_100000076356 [0,1,0,0,0,0|1,0,1]=3 1209 B9R0.2 CC(=O)OCSCCCO 62a_100000076356_100011215043 [0,1,0,0,0,0|1,0,1]=3 1210 B9R0.2 CC(=O)OCSCCCO 62a_100011215043_100000076356 [0,1,0,0,0,0|1,0,1]=3 1211 B9R0.2 CC(=O)OCSCSC#N 62a_100000076356_100000211825 [0,1,0,0,0,0|2,0,1]=4 1212 B9R0.2 CC(=O)OCSCSC#N 62a_100000211825_100000076356 [0,1,0,0,0,0|2,0,1]=4 1213 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200010402107_200025704644 [0,1,0,0,0,0|0,1,2]=4 1214 B9R0.2 CC(=O)SCCCCS[13CH3] 62a_200025704644_200010402107 [0,1,0,0,0,0|0,1,2]=4 1215 B9R0.2 CC(=O)SCCCSCF 62a_100000038929_100015361967 [0,1,0,0,0,0|1,1,1]=4 1216 B9R0.2 CC(=O)SCCCSCF 62a_100015361967_100000038929 [0,1,0,0,0,0|1,1,1]=4 1217 B9R0.2 CC(=S)OCCCSCF 62a_100015361967_200135323944 [0,1,0,0,0,0|1,1,1]=4 1218 B9R0.2 CC(=S)OCCCSCF 62a_200135323944_100015361967 [0,1,0,0,0,0|1,1,1]=4 1219 B9R0.2 CC(C)OCCNCC=O 2230a_100000701111_200015260668 [0,1,0,0,0,0|2,0,1]=4 1220 B9R0.2 CC(C)OCCNCC=O 34a_100000701111_200009817547 [0,1,0,0,0,0|2,0,1]=4 1221 B9R0.2 CC(C)OCCOCC=O 34a_100000211219_200009817547 [0,1,0,0,0,0|2,0,1]=4 1222 B9R0.2 CC(C)OCCOCC=O 7a_100000211219_200015260668 [0,1,0,0,0,0|2,0,1]=4 1223 B9R0.2 CC(C)OCCSCC=O 62a_100000211751_200015260668 [0,1,0,0,0,0|2,0,1]=4 1224 B9R0.2 CC(C)OCCSCC=O 62a_200015260668_100000211751 [0,1,0,0,0,0|2,0,1]=4 1225 B9R0.2 CC=CCCCOC(C)C 34a_100020645299_100000210206 [0,1,0,0,0,0|1,0,1]=3 1226 B9R0.2 CC=CCNCC=C(C)C 34a_100000718196_100000070051 [0,1,0,0,0,0|3,0,0]=4 1227 B9R0.2 CC=CCOCC=C(C)C 34a_100000753907_100000070051 [0,1,0,0,0,0|3,0,0]=4 1228 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [0,1,0,0,0,0|2,0,0]=3 1229 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [0,1,0,0,0,0|2,0,0]=3 1230 B9R0.2 CC=CCOCCC(=O)N 34a_100000757172_100000070051 [0,1,0,0,0,0|3,0,0]=4 1231 B9R0.2 CC=CCOCCC(=O)N 7a_100000757172_100000070051 [0,1,0,0,0,0|3,0,0]=4 1232 B9R0.2 CC=CCSCC=C(C)C 62a_100000070051_100000761012 [0,1,0,0,0,0|3,0,0]=4 1233 B9R0.2 CC=CCSCC=C(C)C 62a_100000761012_100000070051 [0,1,0,0,0,0|3,0,0]=4 1234 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [0,1,0,0,0,0|2,0,0]=3 1235 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [0,1,0,0,0,0|2,0,0]=3 1236 B9R0.2 CC=CCSCCC(=O)N 62a_100000070051_100000744528 [0,1,0,0,0,0|3,0,0]=4 1237 B9R0.2 CC=CCSCCC(=O)N 62a_100000744528_100000070051 [0,1,0,0,0,0|3,0,0]=4 1238 B9R0.2 CC=CCSCOC(=O)C 62a_100000070051_100000076356 [0,1,0,0,0,0|1,0,0]=2 1239 B9R0.2 CC=CCSCOC(=O)C 62a_100000076356_100000070051 [0,1,0,0,0,0|1,0,0]=2 1240 B9R0.2 CC=CCSCOC(C)C 62a_100000070051_100000709892 [0,1,0,0,0,0|2,0,1]=4 1241 B9R0.2 CC=CCSCOC(C)C 62a_100000709892_100000070051 [0,1,0,0,0,0|2,0,1]=4 1242 B9R0.2 CCCCCC#CC(=O)C 1458a_100011215388_200000210301 [0,1,0,0,0,0|1,0,2]=4 1243 B9R0.2 CCCCCC#CC(=O)[13CH3] 1458a_100011215388_200025704644 [0,1,0,0,0,0|1,0,2]=4 1244 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [0,1,0,0,0,0|1,0,2]=4 1245 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [0,1,0,0,0,0|1,0,2]=4 1246 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [0,1,0,0,0,0|1,0,2]=4 1247 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [0,1,0,0,0,0|1,0,2]=4 1248 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [0,1,0,0,0,0|1,0,2]=4 1249 B9R0.2 CCCCCCNC(=O)C 11a_100000210581_100015343762 [0,1,0,0,0,0|1,0,2]=4 1250 B9R0.2 CCCCCCNC(=O)C 1626a_100000210581_100015343762 [0,1,0,0,0,0|1,0,2]=4 1251 B9R0.2 CCCCCCNC(=O)C 240690a_100000210581_100015343762 [0,1,0,0,0,0|1,0,2]=4 1252 B9R0.2 CCCCCCNC(=O)C 527a_100000210581_100103153847 [0,1,0,0,0,0|1,0,2]=4 1253 B9R0.2 CCCCCNNC(=O)C 22a_100000694160_100000070787 [0,1,0,0,0,0|1,0,2]=4 1254 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [0,1,0,0,0,0|0,0,2]=3 1255 B9R0.2 CCCCCOCC(=O)N 34a_100000210253_100000187820 [0,1,0,0,0,0|1,0,2]=4 1256 B9R0.2 CCCCCOCC(=O)N 7a_100000210253_100000187820 [0,1,0,0,0,0|1,0,2]=4 1257 B9R0.2 CCCCCOCC(=O)[O-] 34a_100000210253_100020667443 [0,1,0,0,0,0|1,0,2]=4 1258 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [0,1,0,0,0,0|1,0,2]=4 1259 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [0,1,0,0,0,0|1,0,2]=4 1260 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [0,1,0,0,0,0|1,0,2]=4 1261 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [0,1,0,0,0,0|1,0,2]=4 1262 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [0,1,0,0,0,0|1,0,2]=4 1263 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,1,0,0,0,0|0,0,2]=3 1264 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [0,1,0,0,0,0|1,0,2]=4 1265 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [0,1,0,0,0,0|1,0,2]=4 1266 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,1,0,0,0,0|0,0,2]=3 1267 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,1,0,0,0,0|0,0,2]=3 1268 B9R0.2 CCCNCCNC(=O)C 2230a_100000209853_100000210303 [0,1,0,0,0,0|1,0,2]=4 1269 B9R0.2 CCCOCCCC(=O)C 34a_100000210258_100000685027 [0,1,0,0,0,0|1,0,2]=4 1270 B9R0.2 CCCOCCCC(=O)C 34a_100000759063_100000210303 [0,1,0,0,0,0|1,0,2]=4 1271 B9R0.2 CCCOCCCC(=O)C 7a_100000759063_100000210303 [0,1,0,0,0,0|1,0,2]=4 1272 B9R0.2 CCCOCCNC(=O)C 1626a_100161115042_100015343762 [0,1,0,0,0,0|1,0,2]=4 1273 B9R0.2 CCCOCCNC(=O)C 240690a_100161115042_100015343762 [0,1,0,0,0,0|1,0,2]=4 1274 B9R0.2 CCCOCCNC(=O)C 34a_100000158858_100000210303 [0,1,0,0,0,0|1,0,2]=4 1275 B9R0.2 CCCOCCNC(=O)C 527a_100161115042_100103153847 [0,1,0,0,0,0|1,0,2]=4 1276 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,1,0,0,0,0|0,0,2]=3 1277 B9R0.2 CCCOCCOC(=O)N 34a_100000210258_200011214921 [0,1,0,0,0,0|1,0,2]=4 1278 B9R0.2 CCCOCCOC(=O)N 7a_100000766696_100000210303 [0,1,0,0,0,0|1,0,2]=4 1279 B9R0.2 CCCSCCCC(=O)C 62a_100000210303_100011215641 [0,1,0,0,0,0|1,0,2]=4 1280 B9R0.2 CCCSCCCC(=O)C 62a_100011215641_100000210303 [0,1,0,0,0,0|1,0,2]=4 1281 B9R0.2 CCCSCCNC(=O)C 11a_100020603323_100015343762 [0,1,0,0,0,0|1,0,2]=4 1282 B9R0.2 CCCSCCNC(=O)C 240690a_100020603323_100015343762 [0,1,0,0,0,0|1,0,2]=4 1283 B9R0.2 CCCSCCNC(=O)C 527a_100020603323_100103153847 [0,1,0,0,0,0|1,0,2]=4 1284 B9R0.2 CCCSCCNC(=O)C 62a_100000189650_100000210303 [0,1,0,0,0,0|1,0,2]=4 1285 B9R0.2 CCCSCCNC(=O)C 62a_100000210303_100000189650 [0,1,0,0,0,0|1,0,2]=4 1286 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,1,0,0,0,0|0,0,2]=3 1287 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,1,0,0,0,0|0,0,2]=3 1288 B9R0.2 CCCSCCOC(=O)N 62a_100000210303_200011214921 [0,1,0,0,0,0|1,0,2]=4 1289 B9R0.2 CCCSCCOC(=O)N 62a_200011214921_100000210303 [0,1,0,0,0,0|1,0,2]=4 1290 B9R0.2 CCNCCCNC(=O)C 34a_100000736810_100000210202 [0,1,0,0,0,0|1,0,2]=4 1291 B9R0.2 CCNCCCOC(=S)C 2230a_100015525214_200135323944 [0,1,0,0,0,0|0,1,2]=4 1292 B9R0.2 CCNCCCSC(=O)C 2230a_100015525214_100000038929 [0,1,0,0,0,0|0,1,2]=4 1293 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [0,1,0,0,0,0|1,0,2]=4 1294 B9R0.2 CCOCCCNC(=O)C 11a_100000210961_100015343762 [0,1,0,0,0,0|1,0,2]=4 1295 B9R0.2 CCOCCCNC(=O)C 1626a_100000210961_100015343762 [0,1,0,0,0,0|1,0,2]=4 1296 B9R0.2 CCOCCCNC(=O)C 240690a_100000210961_100015343762 [0,1,0,0,0,0|1,0,2]=4 1297 B9R0.2 CCOCCCNC(=O)C 34a_100000752032_100000210202 [0,1,0,0,0,0|1,0,2]=4 1298 B9R0.2 CCOCCCNC(=O)C 527a_100000210961_100103153847 [0,1,0,0,0,0|1,0,2]=4 1299 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,1,0,0,0,0|0,0,2]=3 1300 B9R0.2 CCOCCCOC(=S)C 34a_100121572206_200135323944 [0,1,0,0,0,0|0,1,2]=4 1301 B9R0.2 CCOCCCSC(=O)C 34a_100121572206_100000038929 [0,1,0,0,0,0|0,1,2]=4 1302 B9R0.2 CCOCCOCC(=O)C 34a_100000211253_100000210147 [0,1,0,0,0,0|1,0,2]=4 1303 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [0,1,0,0,0,0|1,0,2]=4 1304 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [0,1,0,0,0,0|1,0,2]=4 1305 B9R0.2 CCSCCCCC(=O)C 62a_100000210202_100000735457 [0,1,0,0,0,0|1,0,2]=4 1306 B9R0.2 CCSCCCCC(=O)C 62a_100000735457_100000210202 [0,1,0,0,0,0|1,0,2]=4 1307 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,1,0,0,0,0|0,0,2]=3 1308 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,1,0,0,0,0|0,0,2]=3 1309 B9R0.2 CCSCCCOC(=S)C 62a_100000210202_200135323944 [0,1,0,0,0,0|0,1,2]=4 1310 B9R0.2 CCSCCCOC(=S)C 62a_200135323944_100000210202 [0,1,0,0,0,0|0,1,2]=4 1311 B9R0.2 CCSCCCSC(=O)C 62a_100000038929_100000210202 [0,1,0,0,0,0|0,1,2]=4 1312 B9R0.2 CCSCCCSC(=O)C 62a_100000210202_100000038929 [0,1,0,0,0,0|0,1,2]=4 1313 B9R0.2 CCSCCOCC(=O)C 34a_100000211253_100000757381 [0,1,0,0,0,0|1,0,2]=4 1314 B9R0.2 CNCCCCNC(=O)C 2230a_200011368371_200000210301 [0,1,0,0,0,0|1,0,2]=4 1315 B9R0.2 CNCCCCNC(=O)C 34a_200011368371_200000210301 [0,1,0,0,0,0|1,0,2]=4 1316 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,1,0,0,0,0|0,0,2]=3 1317 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,1,0,0,0,0|0,0,2]=3 1318 B9R0.2 CNCCCCSC(=O)C 2230a_106832991635_200010402107 [0,1,0,0,0,0|0,1,2]=4 1319 B9R0.2 CNCCCCSC(=O)C 34a_100102657272_200010402107 [0,1,0,0,0,0|0,1,2]=4 1320 B9R0.2 CNCCCCSC(=O)C 7a_106832991635_200010402107 [0,1,0,0,0,0|0,1,2]=4 1321 B9R0.2 CNCCCOCC(=O)N 34a_100000213112_100000187820 [0,1,0,0,0,0|2,0,1]=4 1322 B9R0.2 CNCCCOCC(=O)[O-] 34a_100000213112_100020667443 [0,1,0,0,0,0|2,0,1]=4 1323 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,1,0,0,0,0|1,0,1]=3 1324 B9R0.2 COCCCCCC(=O)C 1458a_100011935119_200000210301 [0,1,0,0,0,0|1,0,2]=4 1325 B9R0.2 COCCCCCC(=O)[13CH3] 1458a_100011935119_200025704644 [0,1,0,0,0,0|1,0,2]=4 1326 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,1,0,0,0,0|0,0,2]=3 1327 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,1,0,0,0,0|0,0,2]=3 1328 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,1,0,0,0,0|0,0,2]=3 1329 B9R0.2 COCCCCSC(=O)C 34a_100138415774_200010402107 [0,1,0,0,0,0|0,1,2]=4 1330 B9R0.2 COCCCNNC(=O)C 22a_100025702787_100000070787 [0,1,0,0,0,0|2,0,1]=4 1331 B9R0.2 COCCCOCC(=O)C 34a_100000211253_100000740836 [0,1,0,0,0,0|1,0,1]=3 1332 B9R0.2 COCCCOCC(=O)N 34a_100000740835_100000187820 [0,1,0,0,0,0|2,0,1]=4 1333 B9R0.2 COCCCOCC(=O)[O-] 34a_100000740835_100020667443 [0,1,0,0,0,0|2,0,1]=4 1334 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [0,1,0,0,0,0|2,0,1]=4 1335 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [0,1,0,0,0,0|2,0,1]=4 1336 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [0,1,0,0,0,0|2,0,1]=4 1337 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [0,1,0,0,0,0|2,0,1]=4 1338 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [0,1,0,0,0,0|2,0,1]=4 1339 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,1,0,0,0,0|1,0,1]=3 1340 B9R0.2 COCCSCCC(=O)C 62a_100000053229_100000233755 [0,1,0,0,0,0|2,0,1]=4 1341 B9R0.2 COCCSCCC(=O)C 62a_100000233755_100000053229 [0,1,0,0,0,0|2,0,1]=4 1342 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,1,0,0,0,0|1,0,1]=3 1343 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,1,0,0,0,0|1,0,1]=3 1344 B9R0.2 COCNCCNC(=O)C 2230a_100000209853_100000766300 [0,1,0,0,0,0|2,0,1]=4 1345 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [0,1,0,0,0,0|1,0,1]=3 1346 B9R0.2 COCSCCCC(=O)C 62a_100000766300_100011215641 [0,1,0,0,0,0|2,0,1]=4 1347 B9R0.2 COCSCCCC(=O)C 62a_100011215641_100000766300 [0,1,0,0,0,0|2,0,1]=4 1348 B9R0.2 COCSCCNC(=O)C 62a_100000189650_100000766300 [0,1,0,0,0,0|2,0,1]=4 1349 B9R0.2 COCSCCNC(=O)C 62a_100000766300_100000189650 [0,1,0,0,0,0|2,0,1]=4 1350 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [0,1,0,0,0,0|1,0,1]=3 1351 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [0,1,0,0,0,0|1,0,1]=3 1352 B9R0.2 COCSCCOC(=O)N 62a_100000766300_200011214921 [0,1,0,0,0,0|2,0,1]=4 1353 B9R0.2 COCSCCOC(=O)N 62a_200011214921_100000766300 [0,1,0,0,0,0|2,0,1]=4 1354 B9R0.2 CS(=O)CCCNCC=O 2230a_200000753449_200015260668 [0,1,0,0,0,0|3,0,0]=4 1355 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,1,0,0,0,0|0,0,2]=3 1356 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,1,0,0,0,0|0,0,2]=3 1357 B9R0.2 CSCCCCSC(=O)C 62a_200000210301_200010402107 [0,1,0,0,0,0|0,1,2]=4 1358 B9R0.2 CSCCCCSC(=O)C 62a_200010402107_200000210301 [0,1,0,0,0,0|0,1,2]=4 1359 B9R0.2 CSCCCOCC(=O)N 34a_100000690336_100000187820 [0,1,0,0,0,0|2,0,1]=4 1360 B9R0.2 CSCCCOCC(=O)N 7a_100000690336_100000187820 [0,1,0,0,0,0|2,0,1]=4 1361 B9R0.2 CSCCCOCC(=O)[O-] 34a_100000690336_100020667443 [0,1,0,0,0,0|2,0,1]=4 1362 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [0,1,0,0,0,0|2,0,1]=4 1363 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [0,1,0,0,0,0|2,0,1]=4 1364 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [0,1,0,0,0,0|2,0,1]=4 1365 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [0,1,0,0,0,0|1,0,1]=3 1366 B9R0.2 CSCCSCCC(=O)C 62a_100000053229_100000751147 [0,1,0,0,0,0|2,0,1]=4 1367 B9R0.2 CSCCSCCC(=O)C 62a_100000212216_100000053229 [0,1,0,0,0,0|2,0,1]=4 1368 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [0,1,0,0,0,0|1,0,1]=3 1369 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [0,1,0,0,0,0|1,0,1]=3 1370 B9R0.2 CSCNCCNC(=O)C 2230a_100000209853_100011218213 [0,1,0,0,0,0|2,0,1]=4 1371 B9R0.2 CSCOCCCC(=O)C 34a_100000759063_100011218213 [0,1,0,0,0,0|2,0,1]=4 1372 B9R0.2 CSCOCCNC(=O)C 34a_100000158858_100011218213 [0,1,0,0,0,0|2,0,1]=4 1373 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [0,1,0,0,0,0|1,0,1]=3 1374 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [0,1,0,0,0,0|1,0,1]=3 1375 B9R0.2 CSCSCCCC(=O)C 62a_100011215641_100011218213 [0,1,0,0,0,0|2,0,1]=4 1376 B9R0.2 CSCSCCCC(=O)C 62a_100011218213_100011215641 [0,1,0,0,0,0|2,0,1]=4 1377 B9R0.2 CSCSCCNC(=O)C 62a_100000189650_100011218213 [0,1,0,0,0,0|2,0,1]=4 1378 B9R0.2 CSCSCCNC(=O)C 62a_100011218213_100000189650 [0,1,0,0,0,0|2,0,1]=4 1379 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [0,1,0,0,0,0|1,0,1]=3 1380 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [0,1,0,0,0,0|1,0,1]=3 1381 B9R0.2 CSCSCCOC(=O)N 62a_100011218213_200011214921 [0,1,0,0,0,0|2,0,1]=4 1382 B9R0.2 CSCSCCOC(=O)N 62a_200011214921_100011218213 [0,1,0,0,0,0|2,0,1]=4 1383 B9R0.2 N#CCOCCOC(=O)N 7a_100000766696_100011215382 [0,1,0,0,0,0|2,0,1]=4 1384 B9R0.2 N#CCSCCOC(=O)N 62a_100011215382_200011214921 [0,1,0,0,0,0|2,0,1]=4 1385 B9R0.2 N#CCSCCOC(=O)N 62a_200011214921_100011215382 [0,1,0,0,0,0|2,0,1]=4 1386 B9R0.2 NC(=O)CCCNCC=O 34a_100000739312_200009817547 [0,1,0,0,0,0|3,0,0]=4 1387 B9R0.2 NC(=O)CCCSCC=O 62a_100102525003_200015260668 [0,1,0,0,0,0|3,0,0]=4 1388 B9R0.2 NC(=O)CCCSCC=O 62a_200015260668_100102525003 [0,1,0,0,0,0|3,0,0]=4 1389 B9R0.2 NC(=O)CNCCCC=O 2230a_100000711301_200011292268 [0,1,0,0,0,0|3,0,0]=4 1390 B9R0.2 NC(=O)COCCCCBr 34a_100011216708_100000187820 [0,1,0,0,0,0|2,0,1]=4 1391 B9R0.2 NC(=O)COCCCCCl 34a_100000210776_100000187820 [0,1,0,0,0,0|2,0,1]=4 1392 B9R0.2 NC(=O)COCCCCCl 7a_100000210776_100000187820 [0,1,0,0,0,0|2,0,1]=4 1393 B9R0.2 NC(=O)COCCCCF 34a_100011995726_100000187820 [0,1,0,0,0,0|2,0,1]=4 1394 B9R0.2 NC(=O)COCCCCF 7a_100011995726_100000187820 [0,1,0,0,0,0|2,0,1]=4 1395 B9R0.2 NC(=O)COCCCCI 34a_200012148704_100000187820 [0,1,0,0,0,0|2,0,1]=4 1396 B9R0.2 NC(=O)CSCCCC=O 62a_100000747473_200011292268 [0,1,0,0,0,0|2,1,0]=4 1397 B9R0.2 NC(=O)CSCCCC=O 62a_200011292268_100000747473 [0,1,0,0,0,0|2,1,0]=4 1398 B9R0.2 NC(=O)NCCNCC=O 34a_100020590234_200009817547 [0,1,0,0,0,0|3,0,0]=4 1399 B9R0.2 NC(=O)NCCOCC=O 34a_100000181757_200009817547 [0,1,0,0,0,0|3,0,0]=4 1400 B9R0.2 NC(=O)NCCSCC=O 62a_200000034859_200015260668 [0,1,0,0,0,0|3,0,0]=4 1401 B9R0.2 NC(=O)NCCSCC=O 62a_200015260668_200000034859 [0,1,0,0,0,0|3,0,0]=4 1402 B9R0.2 NC(=O)OCCNCCF 34a_100000724931_200011214921 [0,1,0,0,0,0|2,0,1]=4 1403 B9R0.2 NC(=O)OCCNCCO 34a_100016990907_200011214921 [0,1,0,0,0,0|2,0,1]=4 1404 B9R0.2 NC(=O)OCCOCC=O 7a_100000766696_200015260668 [0,1,0,0,0,0|2,0,0]=3 1405 B9R0.2 NC(=O)OCCOCCBr 34a_100000211926_200011214921 [0,1,0,0,0,0|2,0,1]=4 1406 B9R0.2 NC(=O)OCCOCCF 7a_100000766696_100011217306 [0,1,0,0,0,0|2,0,1]=4 1407 B9R0.2 NC(=O)OCCOCCO 7a_100000766696_100000211926 [0,1,0,0,0,0|2,0,1]=4 1408 B9R0.2 NC(=O)OCCSCC=O 62a_200011214921_200015260668 [0,1,0,0,0,0|2,0,0]=3 1409 B9R0.2 NC(=O)OCCSCC=O 62a_200015260668_200011214921 [0,1,0,0,0,0|2,0,0]=3 1410 B9R0.2 NC(=O)OCCSCCF 62a_100011217306_200011214921 [0,1,0,0,0,0|2,0,1]=4 1411 B9R0.2 NC(=O)OCCSCCF 62a_200011214921_100011217306 [0,1,0,0,0,0|2,0,1]=4 1412 B9R0.2 NC(=O)OCCSCCO 62a_100000211926_200011214921 [0,1,0,0,0,0|2,0,1]=4 1413 B9R0.2 NC(=O)OCCSCCO 62a_200011214921_100000211926 [0,1,0,0,0,0|2,0,1]=4 1414 B9R0.2 NCCCCOCC(=O)N 34a_100000750430_100000187820 [0,1,0,0,0,0|2,0,1]=4 1415 B9R0.2 NCCCCOCC(=O)[O-] 34a_100000750430_100020667443 [0,1,0,0,0,0|2,0,1]=4 1416 B9R0.2 NCCOCCOC(=O)N 34a_100000210304_200011214921 [0,1,0,0,0,0|2,0,1]=4 1417 B9R0.2 O=C([O-])COCCCCBr 34a_100011216708_100020667443 [0,1,0,0,0,0|2,0,1]=4 1418 B9R0.2 O=C([O-])COCCCCCl 34a_100000210776_100020667443 [0,1,0,0,0,0|2,0,1]=4 1419 B9R0.2 O=C([O-])COCCCCF 34a_100011995726_100020667443 [0,1,0,0,0,0|2,0,1]=4 1420 B9R0.2 O=C([O-])COCCCCI 34a_200012148704_100020667443 [0,1,0,0,0,0|2,0,1]=4 1421 B9R0.2 O=CCCCNCC(=O)O 269956a_100016091260_200011292268 [0,1,0,0,0,0|3,0,0]=4 1422 B9R0.2 O=CCCCSCC(=O)[O-] 62a_100020667443_200011292268 [0,1,0,0,0,0|2,1,0]=4 1423 B9R0.2 O=CCCCSCC(=O)[O-] 62a_200011292268_100020667443 [0,1,0,0,0,0|2,1,0]=4 1424 B9R0.2 [13CH3]C(=O)CCCCCCO 1458a_100011996774_200025704644 [0,1,0,0,0,0|1,0,2]=4 1425 B9R0.2 [13CH3]C(=O)CCCCN=[N+]=[N-] 1458a_100000070148_200025704644 [0,1,0,0,0,0|3,0,0]=4 1426 B9R0.4 C#CCSC(C)OC(=O)C 62a_100000038162_100009818208 [0,1,0,0,0,0|1,0,2]=4 1427 B9R0.4 C=CCCC(=O)C=C(C)C 1458a_100000211388_100000754431 [0,1,0,0,0,0|2,0,1]=4 1428 B9R0.4 C=CCCC(=O)C=C(C)Cl 1458a_200042562850_100000754431 [0,1,0,0,0,0|2,0,1]=4 1429 B9R0.4 C=CCCC(=O)C=C(C)I 1458a_100025716642_100000754431 [0,1,0,0,0,0|2,0,1]=4 1430 B9R0.4 C=CCCC(=O)CC(=C)C 1458a_100000749702_100000748629 [0,1,0,0,0,0|2,0,1]=4 1431 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100000749702_100000187820 [0,1,0,0,0,0|2,0,1]=4 1432 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100134613110_100000754431 [0,1,0,0,0,0|2,0,1]=4 1433 B9R0.4 C=CCCC(=O)CC(=O)[O-] 1458a_100000749702_100020667443 [0,1,0,0,0,0|2,0,1]=4 1434 B9R0.4 C=CCCC(C)OC(C)C 34a_100000765329_100000210206 [0,1,0,0,0,0|1,0,1]=3 1435 B9R0.4 C=CCCC(C)OC(C)C 7a_100000765329_100000210206 [0,1,0,0,0,0|1,0,1]=3 1436 B9R0.4 C=CCCN(C)CC(=C)C 2230a_100000225649_100000754431 [0,1,0,0,0,0|3,0,0]=4 1437 B9R0.4 C=CCCN(C)CC(=C)C 2230a_100020639649_100000748629 [0,1,0,0,0,0|3,0,0]=4 1438 B9R0.4 C=CCCN(C)CC(=C)C 269982a_100000225649_100000754431 [0,1,0,0,0,0|3,0,0]=4 1439 B9R0.4 C=CCCN(C)CC(=C)C 269982a_100020639649_100000748629 [0,1,0,0,0,0|3,0,0]=4 1440 B9R0.4 C=CCCN(C)CC(=O)N 2230a_100000739694_100000754431 [0,1,0,0,0,0|3,0,0]=4 1441 B9R0.4 C=CCCN(C)CC(=O)N 2230a_100020639649_100000747473 [0,1,0,0,0,0|3,0,0]=4 1442 B9R0.4 C=CCCN(C)CC(=O)N 269982a_100020639649_100000187820 [0,1,0,0,0,0|3,0,0]=4 1443 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [0,1,0,0,0,0|3,0,0]=4 1444 B9R0.4 C=CCCN(C)CC(=O)[O-] 269982a_100020639649_100020667443 [0,1,0,0,0,0|3,0,0]=4 1445 B9R0.4 C=CCNC(=O)CC(=O)C 1458a_100000070787_100000183597 [0,1,0,0,0,0|2,0,1]=4 1446 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [0,1,0,0,0,0|2,0,1]=4 1447 B9R0.4 C=CCOC(C)C=C(C)C 34a_100000717055_100015514636 [0,1,0,0,0,0|3,0,0]=4 1448 B9R0.4 C=CCSC(C)OC(=O)C 62a_100000210623_100009818208 [0,1,0,0,0,0|1,0,0]=2 1449 B9R0.4 C=CCSC(C)OC(=O)C 62a_100009818208_100000210623 [0,1,0,0,0,0|1,0,0]=2 1450 B9R0.4 CC(=O)OC(C)SCC#N 62a_100009818208_100011215382 [0,1,0,0,0,0|2,0,1]=4 1451 B9R0.4 CC(=O)OC(C)SCC#N 62a_100011215382_100009818208 [0,1,0,0,0,0|2,0,1]=4 1452 B9R0.4 CC(=O)OC(C)SCC=O 62a_100009818208_200015260668 [0,1,0,0,0,0|2,0,0]=3 1453 B9R0.4 CC(=O)OC(C)SCC=O 62a_200015260668_100009818208 [0,1,0,0,0,0|2,0,0]=3 1454 B9R0.4 CC(=O)OC(C)SCCF 62a_100009818208_100011217306 [0,1,0,0,0,0|2,0,1]=4 1455 B9R0.4 CC(=O)OC(C)SCCF 62a_100011217306_100009818208 [0,1,0,0,0,0|2,0,1]=4 1456 B9R0.4 CC(=O)OC(C)SCCO 62a_100000211926_100009818208 [0,1,0,0,0,0|2,0,1]=4 1457 B9R0.4 CC(=O)OC(C)SCCO 62a_100009818208_100000211926 [0,1,0,0,0,0|2,0,1]=4 1458 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,1,0,0,0,0|1,0,2]=4 1459 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,1,0,0,0,0|1,0,2]=4 1460 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,1,0,0,0,0|1,0,2]=4 1461 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,1,0,0,0,0|1,0,2]=4 1462 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,1,0,0,0,0|1,0,2]=4 1463 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,1,0,0,0,0|1,0,2]=4 1464 B9R0.4 COCSC(C)OC(=O)C 62a_100000766300_100009818208 [0,1,0,0,0,0|2,0,1]=4 1465 B9R0.4 COCSC(C)OC(=O)C 62a_100009818208_100000766300 [0,1,0,0,0,0|2,0,1]=4 1466 B9R0.4 CSCSC(C)OC(=O)C 62a_100009818208_100011218213 [0,1,0,0,0,0|2,0,1]=4 1467 B9R0.4 CSCSC(C)OC(=O)C 62a_100011218213_100009818208 [0,1,0,0,0,0|2,0,1]=4 1468 B9R0.38 C=CCCCNC(C)(C)C 2230a_100000715429_100011713584 [0,1,0,0,0,0|2,0,1]=4 1469 B9R0.38 C=CCCCNC(C)(C)C 34a_100000700776_100000210625 [0,1,0,0,0,0|2,0,1]=4 1470 B9R0.38 C=CCCCNS(=O)(=O)C 40a_100000700776_100000738038 [0,1,0,0,0,0|2,0,0]=3 1471 B9R0.38 C=CCCCOC(C)(C)C 34a_100000758997_100000210625 [0,1,0,0,0,0|1,0,1]=3 1472 B9R0.38 C=CCCCOC(C)(C)C 34a_100015890283_100000757094 [0,1,0,0,0,0|1,0,1]=3 1473 B9R0.38 C=CCCCOC(C)(C)C 7a_100015890283_100000757094 [0,1,0,0,0,0|1,0,1]=3 1474 B9R0.38 C=CCCCOC(F)(F)F 34a_100000758997_200103152311 [0,1,0,0,0,0|2,0,1]=4 1475 B9R0.38 C=CCCCOC(F)(F)F 7a_100000758997_200000243211 [0,1,0,0,0,0|2,0,1]=4 1476 B9R0.38 C=CCCCSC(C)(C)C 62a_100000211941_100000757094 [0,1,0,0,0,0|1,1,1]=4 1477 B9R0.38 C=CCCCSC(C)(C)C 62a_100011713584_100000211941 [0,1,0,0,0,0|1,1,1]=4 1478 B9R0.38 C=CCNCCS(=O)(=O)C 2230a_100000740961_100000210623 [0,1,0,0,0,0|3,0,0]=4 1479 B9R0.38 C=CCNCCS(=O)(=O)C 2230a_100020586998_100000731031 [0,1,0,0,0,0|3,0,0]=4 1480 B9R0.38 C=CCNCCS(=O)(=O)C 34a_100000740961_100015514636 [0,1,0,0,0,0|3,0,0]=4 1481 B9R0.38 C=CCOCCS(=O)(=O)C 34a_100000211924_100015514636 [0,1,0,0,0,0|3,0,0]=4 1482 B9R0.38 C=CCOCCS(=O)(=O)C 34a_200000210373_100000731031 [0,1,0,0,0,0|3,0,0]=4 1483 B9R0.38 C=CCOCCS(=O)(=O)C 7a_100000211924_100015514636 [0,1,0,0,0,0|3,0,0]=4 1484 B9R0.38 C=CCSCCS(=O)(=O)C 62a_100000210623_100000230027 [0,1,0,0,0,0|3,0,0]=4 1485 B9R0.38 C=CCSCCS(=O)(=O)C 62a_100000731031_100000210623 [0,1,0,0,0,0|3,0,0]=4 1486 B9R0.38 C=COCCOC(C)(C)C 34a_100000033082_100000210625 [0,1,0,0,0,0|2,0,1]=4 1487 B9R0.38 C=COCCOC(C)(C)C 34a_100015890283_100000039644 [0,1,0,0,0,0|2,0,1]=4 1488 B9R0.38 C=COCCOC(C)(C)C 7a_100015890283_100000039644 [0,1,0,0,0,0|2,0,1]=4 1489 B9R0.38 CC(C)(C)OCCCC=O 7a_100015890283_200011292268 [0,1,0,0,0,0|2,0,1]=4 1490 B9R0.46 C#C/C(=C\COCC=C)/C 34a_100016990848_100015514636 [0,1,0,0,0,0|3,0,0]=4 1491 B9R0.46 C#CC(=O)CCCCC=C 1458a_100000211873_100011215482 [0,1,0,0,0,0|1,0,1]=3 1492 B9R0.46 C#CC(C)NCCCC=C 2230a_100000707721_100011713584 [0,1,0,0,0,0|2,0,1]=4 1493 B9R0.46 C#CC(C)NCCCC=C 34a_100000700776_200000035995 [0,1,0,0,0,0|2,0,1]=4 1494 B9R0.46 C#CC(C)NCCCC=C 34a_100000707721_100000757094 [0,1,0,0,0,0|2,0,1]=4 1495 B9R0.46 C#CC(C)OCCCC=C 34a_100000758997_200000035995 [0,1,0,0,0,0|1,0,1]=3 1496 B9R0.46 C#CC(C)OCCOC=C 34a_100000033082_200000035995 [0,1,0,0,0,0|2,0,1]=4 1497 B9R0.46 C#CC(C)SCCCC=C 62a_200000035995_100000757094 [0,1,0,0,0,0|1,1,1]=4 1498 B9R0.46 C#CCCCCC(=O)CC 1458a_100000210414_100010269958 [0,1,0,0,0,0|1,0,2]=4 1499 B9R0.46 C#CCCCCC(=O)CC 1458a_100000696528_100000210202 [0,1,0,0,0,0|1,0,2]=4 1500 B9R0.46 C#CCCCCC(=O)CF 1458a_100000696528_100015361967 [0,1,0,0,0,0|1,0,2]=4 1501 B9R0.46 C#CCCCCC(=O)CO 1458a_100000210174_100010269958 [0,1,0,0,0,0|1,0,2]=4 1502 B9R0.46 C#CCCCCC(=O)NC 11a_106832991635_100000696528 [0,1,0,0,0,0|1,0,2]=4 1503 B9R0.46 C#CCCCCC(=O)NC 1626a_100102657272_100000696528 [0,1,0,0,0,0|1,0,2]=4 1504 B9R0.46 C#CCCCCC(=O)NC 240690a_100102657272_100000696528 [0,1,0,0,0,0|1,0,2]=4 1505 B9R0.46 C#CCCCCC(=O)NC 527a_100102657272_100000696528 [0,1,0,0,0,0|1,0,2]=4 1506 B9R0.46 C#CCCCNC(=O)CC 11a_100000718082_100000210414 [0,1,0,0,0,0|1,0,2]=4 1507 B9R0.46 C#CCCCNC(=O)CC 1626a_100000718082_100000210414 [0,1,0,0,0,0|1,0,2]=4 1508 B9R0.46 C#CCCCNC(=O)CC 240690a_100000718082_100000210414 [0,1,0,0,0,0|1,0,2]=4 1509 B9R0.46 C#CCCCNC(=O)CC 527a_100000718082_100000210414 [0,1,0,0,0,0|1,0,2]=4 1510 B9R0.46 C#CCCCNC(=O)CO 240690a_100000718082_100000210174 [0,1,0,0,0,0|1,0,2]=4 1511 B9R0.46 C#CCCCNC(=O)CO 527a_100000718082_100000210174 [0,1,0,0,0,0|1,0,2]=4 1512 B9R0.46 C#CCCCNC(=O)NC 2708a_100000718082_106832991635 [0,1,0,0,0,0|1,0,2]=4 1513 B9R0.46 C#CCCCNC(=O)NC 2708a_100102657272_100000718082 [0,1,0,0,0,0|1,0,2]=4 1514 B9R0.46 C#CCCCNC(=O)NC 273464a_100000718082_100102657272 [0,1,0,0,0,0|1,0,2]=4 1515 B9R0.46 C#CCCCNC(=O)NC 273464a_100102657272_100000718082 [0,1,0,0,0,0|1,0,2]=4 1516 B9R0.46 C#CCCCNC(=O)NC 512a_100000718082_100102657272 [0,1,0,0,0,0|1,0,2]=4 1517 B9R0.46 C#CCCCNC(=O)NC 512a_106832991638_100000718082 [0,1,0,0,0,0|1,0,2]=4 1518 B9R0.46 C#CCSCOC(=O)OC 62a_100000038162_100000139417 [0,1,0,0,0,0|1,0,2]=4 1519 B9R0.46 C#C[C@@H](C)OCCCC=C 34a_100009815206_100000757094 [0,1,0,0,0,0|1,0,1]=3 1520 B9R0.46 C#C[C@@H](C)OCCCC=C 7a_100009815206_100000757094 [0,1,0,0,0,0|1,0,1]=3 1521 B9R0.46 C#C[C@@H](C)OCCCC=O 7a_100009815206_200011292268 [0,1,0,0,0,0|2,0,1]=4 1522 B9R0.46 C#C[C@@H](C)OCCOC=C 34a_100009815206_100000039644 [0,1,0,0,0,0|2,0,1]=4 1523 B9R0.46 C#C[C@@H](C)OCCOC=C 7a_100009815206_100000039644 [0,1,0,0,0,0|2,0,1]=4 1524 B9R0.46 C=CCCCCC(=O)C=C 1458a_100000185746_100011215482 [0,1,0,0,0,0|1,0,1]=3 1525 B9R0.46 C=CCCCCC(=O)CC 1458a_100000210414_100011215482 [0,1,0,0,0,0|1,0,0]=2 1526 B9R0.46 C=CCCCCC(=O)CC 1458a_100011215552_100000210202 [0,1,0,0,0,0|1,0,0]=2 1527 B9R0.46 C=CCCCCC(=O)CF 1458a_100011215552_100015361967 [0,1,0,0,0,0|1,0,0]=2 1528 B9R0.46 C=CCCCCC(=O)CO 1458a_100000210174_100011215482 [0,1,0,0,0,0|1,0,0]=2 1529 B9R0.46 C=CCCCCC(=O)NC 11a_106832991635_100011215552 [0,1,0,0,0,0|1,0,0]=2 1530 B9R0.46 C=CCCCCC(=O)NC 1626a_100102657272_100011215552 [0,1,0,0,0,0|1,0,0]=2 1531 B9R0.46 C=CCCCCC(=O)NC 240690a_100102657272_100011215552 [0,1,0,0,0,0|1,0,0]=2 1532 B9R0.46 C=CCCCCC(=O)NC 527a_100102657272_100011215552 [0,1,0,0,0,0|1,0,0]=2 1533 B9R0.46 C=CCCCCN(C)CC 2230a_100000225621_100011215482 [0,1,0,0,0,0|3,0,0]=4 1534 B9R0.46 C=CCCCCN(C)CC 2230a_100012000471_100000210202 [0,1,0,0,0,0|3,0,0]=4 1535 B9R0.46 C=CCCCCN(C)CC 269982a_100000225621_100011215482 [0,1,0,0,0,0|3,0,0]=4 1536 B9R0.46 C=CCCCCN(C)CC 269982a_100012000471_100000204670 [0,1,0,0,0,0|3,0,0]=4 1537 B9R0.46 C=CCCCCN(C)CF 269982a_100012000471_100015361967 [0,1,0,0,0,0|3,0,0]=4 1538 B9R0.46 C=CCCCNC(=O)C=C 1626a_100000700776_100000185746 [0,1,0,0,0,0|1,0,1]=3 1539 B9R0.46 C=CCCCNC(=O)C=C 240690a_100000700776_200121576911 [0,1,0,0,0,0|1,0,1]=3 1540 B9R0.46 C=CCCCNC(=O)CC 11a_100000700776_100000210414 [0,1,0,0,0,0|1,0,0]=2 1541 B9R0.46 C=CCCCNC(=O)CC 1626a_100000700776_100000210414 [0,1,0,0,0,0|1,0,0]=2 1542 B9R0.46 C=CCCCNC(=O)CC 240690a_100000700776_100000210414 [0,1,0,0,0,0|1,0,0]=2 1543 B9R0.46 C=CCCCNC(=O)CC 527a_100000700776_100000210414 [0,1,0,0,0,0|1,0,0]=2 1544 B9R0.46 C=CCCCNC(=O)CO 240690a_100000700776_100000210174 [0,1,0,0,0,0|1,0,0]=2 1545 B9R0.46 C=CCCCNC(=O)CO 527a_100000700776_100000210174 [0,1,0,0,0,0|1,0,0]=2 1546 B9R0.46 C=CCCCNC(=O)NC 2708a_100000700776_106832991635 [0,1,0,0,0,0|1,0,0]=2 1547 B9R0.46 C=CCCCNC(=O)NC 2708a_100102657272_100000700776 [0,1,0,0,0,0|1,0,0]=2 1548 B9R0.46 C=CCCCNC(=O)NC 273464a_100000700776_100102657272 [0,1,0,0,0,0|1,0,0]=2 1549 B9R0.46 C=CCCCNC(=O)NC 273464a_100102657272_100000700776 [0,1,0,0,0,0|1,0,0]=2 1550 B9R0.46 C=CCCCNC(=O)NC 512a_100000700776_100102657272 [0,1,0,0,0,0|1,0,0]=2 1551 B9R0.46 C=CCCCNC(=O)NC 512a_106832991638_100000700776 [0,1,0,0,0,0|1,0,0]=2 1552 B9R0.46 C=CCCCNC(C)C#N 2230a_100000700776_100000184139 [0,1,0,0,0,0|2,0,1]=4 1553 B9R0.46 C=CCCCNC(C)C#N 2230a_100000737613_100011713584 [0,1,0,0,0,0|2,0,1]=4 1554 B9R0.46 C=CCCCNC(C)CC 2230a_100000209981_100011713584 [0,1,0,0,0,0|2,0,1]=4 1555 B9R0.46 C=CCCCNC(C)CC 2230a_100000700776_100000758301 [0,1,0,0,0,0|2,0,1]=4 1556 B9R0.46 C=CCCCNC(C)CC 34a_100000700776_100011215416 [0,1,0,0,0,0|2,0,1]=4 1557 B9R0.46 C=CCCCNC(C)CO 2230a_100000700776_100012180447 [0,1,0,0,0,0|1,0,2]=4 1558 B9R0.46 C=CCCCNC(C)CO 34a_100000700776_100012180447 [0,1,0,0,0,0|1,0,2]=4 1559 B9R0.46 C=CCCCN[C@H](C)CO 2230a_100000737577_100011713584 [0,1,0,0,0,0|1,0,2]=4 1560 B9R0.46 C=CCCCOC(C)C#N 34a_100011218135_100000757094 [0,1,0,0,0,0|1,0,1]=3 1561 B9R0.46 C=CCCCOC(C)C#N 7a_100000758997_100000703298 [0,1,0,0,0,0|1,0,1]=3 1562 B9R0.46 C=CCCCOC(C)C=C 34a_100000695699_100000757094 [0,1,0,0,0,0|1,0,1]=3 1563 B9R0.46 C=CCCCOC(C)CC 34a_100000758997_100011215416 [0,1,0,0,0,0|1,0,1]=3 1564 B9R0.46 C=CCCCOC(C)CC 7a_100000210228_100000757094 [0,1,0,0,0,0|1,0,1]=3 1565 B9R0.46 C=CCCCOC(C)CC 7a_100000758997_100000758301 [0,1,0,0,0,0|1,0,1]=3 1566 B9R0.46 C=CCCCOC(C)CF 34a_100016041109_100000757094 [0,1,0,0,0,0|1,0,1]=3 1567 B9R0.46 C=CCCCOC(C)CF 7a_100016041109_100000757094 [0,1,0,0,0,0|1,0,1]=3 1568 B9R0.46 C=CCCCOC(C)CN 34a_100000210904_100000757094 [0,1,0,0,0,0|1,0,1]=3 1569 B9R0.46 C=CCCCOC(C)CO 34a_100000758997_100012180447 [0,1,0,0,0,0|0,0,2]=3 1570 B9R0.46 C=CCCCOC(C)CO 7a_100000758997_100012180447 [0,1,0,0,0,0|0,0,2]=3 1571 B9R0.46 C=CCCCSC(C)C#N 62a_100000703298_100000757094 [0,1,0,0,0,0|1,1,1]=4 1572 B9R0.46 C=CCCCSC(C)C#N 62a_100011713584_100000703298 [0,1,0,0,0,0|1,1,1]=4 1573 B9R0.46 C=CCCCSC(C)C=C 62a_100011215867_100000757094 [0,1,0,0,0,0|1,1,1]=4 1574 B9R0.46 C=CCCCSC(C)CC 62a_100000758301_100000757094 [0,1,0,0,0,0|1,1,1]=4 1575 B9R0.46 C=CCCCSC(C)CC 62a_100011713584_100000758301 [0,1,0,0,0,0|1,1,1]=4 1576 B9R0.46 C=CCCCSC(C)CO 62a_100012180447_100000757094 [0,1,0,0,0,0|0,1,2]=4 1577 B9R0.46 C=CCCCSC(C)OC 62a_100009879195_100000757094 [0,1,0,0,0,0|0,1,2]=4 1578 B9R0.46 C=CCCCSC(C)OC 62a_100011713584_100009879195 [0,1,0,0,0,0|0,1,2]=4 1579 B9R0.46 C=CCCCS[C@H](C)CO 62a_100011713584_100016084084 [0,1,0,0,0,0|0,1,2]=4 1580 B9R0.46 C=CCCCS[C@H](C)CO 62a_100016084084_100000757094 [0,1,0,0,0,0|0,1,2]=4 1581 B9R0.46 C=CCCNCC(=O)NC 2230a_100000693194_100000754431 [0,1,0,0,0,0|2,0,0]=3 1582 B9R0.46 C=CCCNCC(=O)NC 2230a_100015191253_100000183359 [0,1,0,0,0,0|2,0,0]=3 1583 B9R0.46 C=CCCNCC(=O)OC 2230a_100015191253_100000747449 [0,1,0,0,0,0|2,0,0]=3 1584 B9R0.46 C=CCCOCC(=O)CC 34a_100000725409_100000754431 [0,1,0,0,0,0|2,0,0]=3 1585 B9R0.46 C=CCCOCC(=O)NC 34a_100000750040_100000754431 [0,1,0,0,0,0|2,0,0]=3 1586 B9R0.46 C=CCCOCC(=O)NC 34a_100011205117_100000183359 [0,1,0,0,0,0|2,0,0]=3 1587 B9R0.46 C=CCCOCC(=O)OC 34a_100011205117_100000747449 [0,1,0,0,0,0|2,0,0]=3 1588 B9R0.46 C=CCCSCC(=O)CC 62a_100000747405_100000754431 [0,1,0,0,0,0|2,0,0]=3 1589 B9R0.46 C=CCCSCC(=O)CC 62a_100000754431_100000747405 [0,1,0,0,0,0|2,0,0]=3 1590 B9R0.46 C=CCCSCC(=O)NC 62a_100000183359_100000754431 [0,1,0,0,0,0|2,0,0]=3 1591 B9R0.46 C=CCCSCC(=O)NC 62a_100000754431_100000183359 [0,1,0,0,0,0|2,0,0]=3 1592 B9R0.46 C=CCCSCC(=O)OC 62a_100000747449_100000754431 [0,1,0,0,0,0|2,0,0]=3 1593 B9R0.46 C=CCCSCC(=O)OC 62a_100000754431_100000747449 [0,1,0,0,0,0|2,0,0]=3 1594 B9R0.46 C=CCNCCC(=O)NC 2230a_100000738227_100000210623 [0,1,0,0,0,0|2,0,0]=3 1595 B9R0.46 C=CCNCCC(=O)NC 2230a_100020586998_100000737683 [0,1,0,0,0,0|2,0,0]=3 1596 B9R0.46 C=CCNCCC(=O)NC 34a_100000738227_100015514636 [0,1,0,0,0,0|2,0,0]=3 1597 B9R0.46 C=CCNCCC(=O)OC 2230a_100020586998_100000204255 [0,1,0,0,0,0|2,0,0]=3 1598 B9R0.46 C=CCOCCC(=O)CC 1458a_200011217002_100000210202 [0,1,0,0,0,0|2,0,0]=3 1599 B9R0.46 C=CCOCCC(=O)CF 1458a_200011217002_100015361967 [0,1,0,0,0,0|2,0,0]=3 1600 B9R0.46 C=CCOCCC(=O)NC 11a_106832991635_200011217002 [0,1,0,0,0,0|2,0,0]=3 1601 B9R0.46 C=CCOCCC(=O)NC 1626a_100102657272_200011217002 [0,1,0,0,0,0|2,0,0]=3 1602 B9R0.46 C=CCOCCC(=O)NC 240690a_100102657272_200011217002 [0,1,0,0,0,0|2,0,0]=3 1603 B9R0.46 C=CCOCCC(=O)NC 34a_100000754576_100015514636 [0,1,0,0,0,0|2,0,0]=3 1604 B9R0.46 C=CCOCCC(=O)NC 34a_200000210373_100012179268 [0,1,0,0,0,0|2,0,0]=3 1605 B9R0.46 C=CCOCCC(=O)NC 527a_100102657272_200011217002 [0,1,0,0,0,0|2,0,0]=3 1606 B9R0.46 C=CCOCCC(=O)OC 34a_200000210373_100000742370 [0,1,0,0,0,0|2,0,0]=3 1607 B9R0.46 C=CCSCCC(=O)NC 62a_100000210623_100000737683 [0,1,0,0,0,0|2,0,0]=3 1608 B9R0.46 C=CCSCCC(=O)NC 62a_100000737683_100000210623 [0,1,0,0,0,0|2,0,0]=3 1609 B9R0.46 C=CCSCCC(=O)OC 62a_100000204255_100000210623 [0,1,0,0,0,0|2,0,0]=3 1610 B9R0.46 C=CCSCCC(=O)OC 62a_100000210623_100000204255 [0,1,0,0,0,0|2,0,0]=3 1611 B9R0.46 C=CCSCOC(=O)OC 62a_100000210623_100000139417 [0,1,0,0,0,0|1,0,0]=2 1612 B9R0.46 C=COCCOC(C)C#N 34a_100011218135_100000039644 [0,1,0,0,0,0|2,0,1]=4 1613 B9R0.46 C=COCCOC(C)C=C 34a_100000695699_100000039644 [0,1,0,0,0,0|2,0,1]=4 1614 B9R0.46 C=COCCOC(C)CC 34a_100000033082_100011215416 [0,1,0,0,0,0|2,0,1]=4 1615 B9R0.46 C=COCCOC(C)CC 7a_100000210228_100000039644 [0,1,0,0,0,0|2,0,1]=4 1616 B9R0.46 C=COCCOC(C)CF 34a_100016041109_100000039644 [0,1,0,0,0,0|2,0,1]=4 1617 B9R0.46 C=COCCOC(C)CF 7a_100016041109_100000039644 [0,1,0,0,0,0|2,0,1]=4 1618 B9R0.46 C=COCCOC(C)CN 34a_100000210904_100000039644 [0,1,0,0,0,0|2,0,1]=4 1619 B9R0.46 C=COCCOC(C)CO 34a_100000033082_100012180447 [0,1,0,0,0,0|1,0,2]=4 1620 B9R0.46 CC(CF)OCCCC=O 7a_100016041109_200011292268 [0,1,0,0,0,0|2,0,1]=4 1621 B9R0.46 CCC(=O)CCCCC#N 1458a_100000210414_100000211819 [0,1,0,0,0,0|2,0,1]=4 1622 B9R0.46 CCC(=O)CCCCCF 1458a_100000210414_100000729378 [0,1,0,0,0,0|2,0,1]=4 1623 B9R0.46 CCC(=O)CCCCCO 1458a_100000210414_100000746330 [0,1,0,0,0,0|2,0,1]=4 1624 B9R0.46 CCC(=O)CCCCCO 1458a_100102619762_100000210202 [0,1,0,0,0,0|2,0,1]=4 1625 B9R0.46 CCC(=O)CCCCOC 1458a_100000210414_100000755781 [0,1,0,0,0,0|2,0,1]=4 1626 B9R0.46 CCC(=O)NCCCCO 240690a_100000750430_100000210414 [0,1,0,0,0,0|2,0,1]=4 1627 B9R0.46 CCC(=O)NCCCCO 527a_100000750430_100000210414 [0,1,0,0,0,0|2,0,1]=4 1628 B9R0.46 CCC(=O)NCCCOC 1626a_100150723488_100000210414 [0,1,0,0,0,0|2,0,1]=4 1629 B9R0.46 CCC(=O)NCCCOC 240690a_100150723488_100000210414 [0,1,0,0,0,0|2,0,1]=4 1630 B9R0.46 CCC(=O)NCCCOC 527a_100150723488_100000210414 [0,1,0,0,0,0|2,0,1]=4 1631 B9R0.46 CCC(=O)NCCCSC 11a_100000749238_100000210414 [0,1,0,0,0,0|2,0,1]=4 1632 B9R0.46 CCC(=O)NCCCSC 1626a_100000749238_100000210414 [0,1,0,0,0,0|2,0,1]=4 1633 B9R0.46 CCC(=O)NCCCSC 240690a_100000749238_100000210414 [0,1,0,0,0,0|2,0,1]=4 1634 B9R0.46 CCC(=O)NCCCSC 527a_100000749238_100000210414 [0,1,0,0,0,0|2,0,1]=4 1635 B9R0.46 CCC(=O)OCCOCF 7a_200000031056_100015361967 [0,1,0,0,0,0|2,0,1]=4 1636 B9R0.46 CCC(C)OCCCC=O 7a_100000210228_200011292268 [0,1,0,0,0,0|2,0,1]=4 1637 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [0,1,0,0,0,0|1,0,2]=4 1638 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [0,1,0,0,0,0|1,0,2]=4 1639 B9R0.46 CCCCCCC(=O)CF 1458a_100102632555_100015361967 [0,1,0,0,0,0|1,0,2]=4 1640 B9R0.46 CCCCCCC(=O)CO 1458a_100000210174_100000210757 [0,1,0,0,0,0|1,0,2]=4 1641 B9R0.46 CCCCCCC(=O)NC 11a_106832991635_100102632555 [0,1,0,0,0,0|1,0,2]=4 1642 B9R0.46 CCCCCCC(=O)NC 1626a_100102657272_100102632555 [0,1,0,0,0,0|1,0,2]=4 1643 B9R0.46 CCCCCCC(=O)NC 240690a_100102657272_100102632555 [0,1,0,0,0,0|1,0,2]=4 1644 B9R0.46 CCCCCCC(=O)NC 527a_100102657272_100102632555 [0,1,0,0,0,0|1,0,2]=4 1645 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [0,1,0,0,0,0|1,0,2]=4 1646 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [0,1,0,0,0,0|1,0,2]=4 1647 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [0,1,0,0,0,0|1,0,2]=4 1648 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [0,1,0,0,0,0|1,0,2]=4 1649 B9R0.46 CCCCCNC(=O)CO 240690a_100000209983_100000210174 [0,1,0,0,0,0|1,0,2]=4 1650 B9R0.46 CCCCCNC(=O)CO 527a_100000209983_100000210174 [0,1,0,0,0,0|1,0,2]=4 1651 B9R0.46 CCCCCNC(=O)NC 2708a_100000209983_106832991635 [0,1,0,0,0,0|1,0,2]=4 1652 B9R0.46 CCCCCNC(=O)NC 2708a_100102657272_100000209983 [0,1,0,0,0,0|1,0,2]=4 1653 B9R0.46 CCCCCNC(=O)NC 273464a_100000209983_100102657272 [0,1,0,0,0,0|1,0,2]=4 1654 B9R0.46 CCCCCNC(=O)NC 273464a_100102657272_100000209983 [0,1,0,0,0,0|1,0,2]=4 1655 B9R0.46 CCCCCNC(=O)NC 512a_100000209983_100102657272 [0,1,0,0,0,0|1,0,2]=4 1656 B9R0.46 CCCCCNC(=O)NC 512a_106832991638_100000209983 [0,1,0,0,0,0|1,0,2]=4 1657 B9R0.46 CCCSCOC(=O)OC 62a_100000210303_100000139417 [0,1,0,0,0,0|1,0,2]=4 1658 B9R0.46 CCOCCOC(=O)CC 7a_200000031056_100000210202 [0,1,0,0,0,0|1,0,2]=4 1659 B9R0.46 CCOCCOC(=O)NC 34a_100121572206_200011997002 [0,1,0,0,0,0|1,0,2]=4 1660 B9R0.46 CCOCCOC(=O)OC 34a_100010262106_100000210202 [0,1,0,0,0,0|1,0,2]=4 1661 B9R0.46 CCSCCOC(=O)NC 62a_100000210202_200011997002 [0,1,0,0,0,0|1,0,2]=4 1662 B9R0.46 CCSCCOC(=O)NC 62a_200011997002_100000210202 [0,1,0,0,0,0|1,0,2]=4 1663 B9R0.46 CNC(=O)CCCCCO 240690a_100102657272_100102619762 [0,1,0,0,0,0|2,0,1]=4 1664 B9R0.46 CNC(=O)CCNCC=O 2230a_100000738227_200015260668 [0,1,0,0,0,0|3,0,0]=4 1665 B9R0.46 CNC(=O)CCNCC=O 34a_100000738227_200009817547 [0,1,0,0,0,0|3,0,0]=4 1666 B9R0.46 CNC(=O)CCOCC=O 34a_100000754576_200009817547 [0,1,0,0,0,0|3,0,0]=4 1667 B9R0.46 CNC(=O)CCSCC=O 62a_100000737683_200015260668 [0,1,0,0,0,0|3,0,0]=4 1668 B9R0.46 CNC(=O)CCSCC=O 62a_200015260668_100000737683 [0,1,0,0,0,0|3,0,0]=4 1669 B9R0.46 CNC(=O)NCCCCO 2708a_100000750430_106832991635 [0,1,0,0,0,0|2,0,1]=4 1670 B9R0.46 CNC(=O)NCCCCO 2708a_100102657272_100000750430 [0,1,0,0,0,0|2,0,1]=4 1671 B9R0.46 CNC(=O)NCCCCO 273464a_100000750430_100102657272 [0,1,0,0,0,0|2,0,1]=4 1672 B9R0.46 CNC(=O)NCCCCO 273464a_100102657272_100000750430 [0,1,0,0,0,0|2,0,1]=4 1673 B9R0.46 CNC(=O)NCCCCO 512a_100000750430_100102657272 [0,1,0,0,0,0|2,0,1]=4 1674 B9R0.46 CNC(=O)NCCCCO 512a_106832991638_100000750430 [0,1,0,0,0,0|2,0,1]=4 1675 B9R0.46 CNC(=O)NCCCOC 2708a_100102657272_100150723488 [0,1,0,0,0,0|2,0,1]=4 1676 B9R0.46 CNC(=O)NCCCOC 2708a_100150723488_106832991635 [0,1,0,0,0,0|2,0,1]=4 1677 B9R0.46 CNC(=O)NCCCOC 273464a_100102657272_100150723488 [0,1,0,0,0,0|2,0,1]=4 1678 B9R0.46 CNC(=O)NCCCOC 273464a_100150723488_100102657272 [0,1,0,0,0,0|2,0,1]=4 1679 B9R0.46 CNC(=O)NCCCOC 512a_106832991638_100150723488 [0,1,0,0,0,0|2,0,1]=4 1680 B9R0.46 CNC(=O)NCCCSC 2708a_100000749238_106832991635 [0,1,0,0,0,0|2,0,1]=4 1681 B9R0.46 CNC(=O)NCCCSC 2708a_100102657272_100000749238 [0,1,0,0,0,0|2,0,1]=4 1682 B9R0.46 CNC(=O)NCCCSC 273464a_100000749238_100102657272 [0,1,0,0,0,0|2,0,1]=4 1683 B9R0.46 CNC(=O)NCCCSC 273464a_100102657272_100000749238 [0,1,0,0,0,0|2,0,1]=4 1684 B9R0.46 CNC(=O)NCCCSC 512a_100000749238_100102657272 [0,1,0,0,0,0|2,0,1]=4 1685 B9R0.46 CNC(=O)NCCCSC 512a_106832991638_100000749238 [0,1,0,0,0,0|2,0,1]=4 1686 B9R0.46 CNC(=O)OCCSCF 62a_100015361967_200011997002 [0,1,0,0,0,0|2,0,1]=4 1687 B9R0.46 CNC(=O)OCCSCF 62a_200011997002_100015361967 [0,1,0,0,0,0|2,0,1]=4 1688 B9R0.46 CNCCCCC(=O)OC 2230a_106832991635_100000204269 [0,1,0,0,0,0|2,0,1]=4 1689 B9R0.46 CNCCCCC(=O)OC 34a_100102657272_100000204269 [0,1,0,0,0,0|2,0,1]=4 1690 B9R0.46 CNCCCCC(=O)OC 7a_106832991635_100000204269 [0,1,0,0,0,0|2,0,1]=4 1691 B9R0.46 COC(=O)CCCCO[13CH3] 34a_100000059025_200025704644 [0,1,0,0,0,0|2,0,1]=4 1692 B9R0.46 COC(=O)CCCCO[13CH3] 7a_100000059025_200025704644 [0,1,0,0,0,0|2,0,1]=4 1693 B9R0.46 COC(=O)CCCCSC 62a_100000204269_200000210301 [0,1,0,0,0,0|2,0,1]=4 1694 B9R0.46 COC(=O)CCCCSC 62a_200000210301_100000204269 [0,1,0,0,0,0|2,0,1]=4 1695 B9R0.46 COC(=O)CCCCS[13CH3] 62a_100000204269_200025704644 [0,1,0,0,0,0|2,0,1]=4 1696 B9R0.46 COC(=O)CCCCS[13CH3] 62a_200025704644_100000204269 [0,1,0,0,0,0|2,0,1]=4 1697 B9R0.46 COC(=O)CCSCC=O 62a_100000204255_200015260668 [0,1,0,0,0,0|3,0,0]=4 1698 B9R0.46 COC(=O)CCSCC=O 62a_200015260668_100000204255 [0,1,0,0,0,0|3,0,0]=4 1699 B9R0.46 COC(=O)OCCOCF 34a_100010262106_100015361967 [0,1,0,0,0,0|2,0,1]=4 1700 B9R0.46 COC(=O)OCSCC#N 62a_100011215382_100000139417 [0,1,0,0,0,0|2,0,1]=4 1701 B9R0.46 COC(=O)OCSCC=O 62a_200015260668_100000139417 [0,1,0,0,0,0|2,0,0]=3 1702 B9R0.46 COC(=O)OCSCCF 62a_100011217306_100000139417 [0,1,0,0,0,0|2,0,1]=4 1703 B9R0.46 COC(=O)OCSCCO 62a_100000211926_100000139417 [0,1,0,0,0,0|2,0,1]=4 1704 B9R0.46 COC(=O)OCSCSC 62a_100011218213_100000139417 [0,1,0,0,0,0|2,0,1]=4 1705 B9R0.46 COCCCCC(=O)CO 1458a_100000210174_100000755781 [0,1,0,0,0,0|2,0,1]=4 1706 B9R0.46 COCCCCC(=O)OC 34a_100000059025_200000210301 [0,1,0,0,0,0|2,0,1]=4 1707 B9R0.46 COCCCCC(=O)OC 34a_100138415774_100000204269 [0,1,0,0,0,0|2,0,1]=4 1708 B9R0.46 COCCCCC(=O)OC 7a_100000059025_200000210301 [0,1,0,0,0,0|2,0,1]=4 1709 B9R0.46 COCCCNC(=O)CO 240690a_100150723488_100000210174 [0,1,0,0,0,0|2,0,1]=4 1710 B9R0.46 COCCCNC(=O)CO 527a_100150723488_100000210174 [0,1,0,0,0,0|2,0,1]=4 1711 B9R0.46 COCSCOC(=O)OC 62a_100000766300_100000139417 [0,1,0,0,0,0|2,0,1]=4 1712 B9R0.46 CSCCCNC(=O)CO 240690a_100000749238_100000210174 [0,1,0,0,0,0|2,0,1]=4 1713 B9R0.46 CSCCCNC(=O)CO 527a_100000749238_100000210174 [0,1,0,0,0,0|2,0,1]=4 1714 B9R0.46 N#CCCCCC(=O)CO 1458a_100000210174_100000211819 [0,1,0,0,0,0|2,0,1]=4 1715 B9R0.46 O=C(CF)CCCCCO 1458a_100102619762_100015361967 [0,1,0,0,0,0|2,0,1]=4 1716 B9R0.46 O=C(CO)CCCCCF 1458a_100000210174_100000729378 [0,1,0,0,0,0|2,0,1]=4 1717 B9R0.46 O=C(CO)CCCCCO 1458a_100000210174_100000746330 [0,1,0,0,0,0|2,0,1]=4 1718 B9R0.46 O=C(CO)NCCCCO 240690a_100000750430_100000210174 [0,1,0,0,0,0|2,0,1]=4 1719 B9R0.46 O=C(CO)NCCCCO 527a_100000750430_100000210174 [0,1,0,0,0,0|2,0,1]=4 1720 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [0,1,0,0,0,0|2,0,0]=3 1721 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [0,1,0,0,0,0|2,0,1]=4 1722 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [0,1,0,0,0,0|2,0,1]=4 1723 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [0,1,0,0,0,0|2,0,1]=4 1724 B9R0.47 C=CCCCC(=O)N(C)C 11a_100102631434_100000766728 [0,1,0,0,0,0|3,0,0]=4 1725 B9R0.47 C=CCCCC(=O)N(C)C 1626a_100102631434_100000766728 [0,1,0,0,0,0|3,0,0]=4 1726 B9R0.47 C=CCCCC(=O)N(C)C 240690a_100102631434_100000766728 [0,1,0,0,0,0|3,0,0]=4 1727 B9R0.47 C=CCCCC(=O)N(C)C 527a_100102631434_100000766728 [0,1,0,0,0,0|3,0,0]=4 1728 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,1,0,0,0,0|1,0,2]=4 1729 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,1,0,0,0,0|1,0,2]=4 1730 B9R0.47 C=CCCCN(C)C(C)C 269982a_200000211004_100000757094 [0,1,0,0,0,0|2,0,1]=4 1731 B9R0.47 C=CCCNC(=O)C(=C)C 11a_100015191253_100000185857 [0,1,0,0,0,0|3,0,0]=4 1732 B9R0.47 C=CCCNC(=O)C(=C)C 1626a_100015191253_100000185857 [0,1,0,0,0,0|3,0,0]=4 1733 B9R0.47 C=CCCNC(=O)C(=O)N 240690a_100015191253_100011215815 [0,1,0,0,0,0|3,0,0]=4 1734 B9R0.47 C=CCCNC(C)C(=C)C 269862a_100015191253_100011216138 [0,1,0,0,0,0|3,0,0]=4 1735 B9R0.47 C=CCCNC(C)C(=O)C 2230a_100015191253_100009814033 [0,1,0,0,0,0|2,0,0]=3 1736 B9R0.47 C=CCCNC(C)C(=O)N 2230a_100015191253_100000702099 [0,1,0,0,0,0|3,0,0]=4 1737 B9R0.47 C=CCCNC(F)C(=O)N 2230a_100015191253_100009813875 [0,1,0,0,0,0|3,0,0]=4 1738 B9R0.47 C=CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000754431 [0,1,0,0,0,0|3,0,0]=4 1739 B9R0.47 C=CCCN[C@H](C)C(=O)N 2230a_100000119354_100000754431 [0,1,0,0,0,0|3,0,0]=4 1740 B9R0.47 C=CCCN[C@H](C)C(=O)N 34a_100000119354_100000754431 [0,1,0,0,0,0|3,0,0]=4 1741 B9R0.47 C=CCCOC(C)C(=O)C 34a_100000212229_100000754431 [0,1,0,0,0,0|2,0,0]=3 1742 B9R0.47 C=CCCOC(C)C(=O)N 34a_100011205117_100000702099 [0,1,0,0,0,0|3,0,0]=4 1743 B9R0.47 C=CCCOC(F)C(=O)N 34a_100011205117_100009813875 [0,1,0,0,0,0|3,0,0]=4 1744 B9R0.47 C=CCCOC(F)C(=O)[O-] 34a_100011205117_100020610796 [0,1,0,0,0,0|3,0,0]=4 1745 B9R0.47 C=CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000754431 [0,1,0,0,0,0|3,0,0]=4 1746 B9R0.47 C=CCCO[C@H](C)C(=O)N 34a_100000731257_100000754431 [0,1,0,0,0,0|3,0,0]=4 1747 B9R0.47 C=CCCO[C@H](C)C(=O)N 7a_100000731257_100000754431 [0,1,0,0,0,0|3,0,0]=4 1748 B9R0.47 C=CCCSC(C)C(=O)C 62a_100000754431_100009814033 [0,1,0,0,0,0|2,0,0]=3 1749 B9R0.47 C=CCCSC(C)C(=O)C 62a_100009814033_100000754431 [0,1,0,0,0,0|2,0,0]=3 1750 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000702099_100000754431 [0,1,0,0,0,0|3,0,0]=4 1751 B9R0.47 C=CCCSC(C)C(=O)N 62a_100000754431_100000702099 [0,1,0,0,0,0|3,0,0]=4 1752 B9R0.47 C=CCCSC(F)C(=O)N 62a_100000754431_100009813875 [0,1,0,0,0,0|3,0,0]=4 1753 B9R0.47 C=CCCSC(F)C(=O)N 62a_100009813875_100000754431 [0,1,0,0,0,0|3,0,0]=4 1754 B9R0.47 C=CCCSC(F)C(=O)[O-] 62a_100000754431_100020610796 [0,1,0,0,0,0|3,0,0]=4 1755 B9R0.47 C=CCCSC(F)C(=O)[O-] 62a_100020610796_100000754431 [0,1,0,0,0,0|3,0,0]=4 1756 B9R0.47 C=CCNCC(C)C(=O)O 269956a_100000749485_100000210623 [0,1,0,0,0,0|3,0,0]=4 1757 B9R0.47 C=CCNCC(F)C(=O)O 269956a_100000084737_100000210623 [0,1,0,0,0,0|3,0,0]=4 1758 B9R0.47 C=CCOCC(=O)C(=O)C 34a_200000210373_100011261029 [0,1,0,0,0,0|2,0,0]=3 1759 B9R0.47 C=CCOCC(C)C(=O)C 34a_100000032740_100015514636 [0,1,0,0,0,0|2,0,0]=3 1760 B9R0.47 C=CCOCC(C)C(=O)C 7a_100000032740_100015514636 [0,1,0,0,0,0|2,0,0]=3 1761 B9R0.47 C=CCOC[C@H](N)C(=O)N 34a_100000729942_100015514636 [0,1,0,0,0,0|3,0,0]=4 1762 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100000210623_100011261029 [0,1,0,0,0,0|2,0,0]=3 1763 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100011261029_100000210623 [0,1,0,0,0,0|2,0,0]=3 1764 B9R0.47 C=COCCC(=O)C(=C)C 1458a_100000185857_100000039644 [0,1,0,0,0,0|3,0,0]=4 1765 B9R0.47 CC(=O)C(=O)CSCC=O 62a_100011261029_200015260668 [0,1,0,0,0,0|3,0,0]=4 1766 B9R0.47 CC(=O)C(=O)CSCC=O 62a_200015260668_100011261029 [0,1,0,0,0,0|3,0,0]=4 1767 B9R0.47 CC(=O)C(C)COCC=O 34a_100000032740_200009817547 [0,1,0,0,0,0|3,0,0]=4 1768 B9R0.47 CC(=O)C(C)COCC=O 7a_100000032740_200015260668 [0,1,0,0,0,0|3,0,0]=4 1769 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,1,0,0,0,0|2,0,1]=4 1770 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,0,0,0,0|1,0,2]=4 1771 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,0,0,0,0|1,0,2]=4 1772 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,0,0,0,0|1,0,2]=4 1773 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,1,0,0,0,0|1,0,2]=4 1774 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,1,0,0,0,0|1,0,2]=4 1775 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,1,0,0,0,0|1,0,2]=4 1776 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,1,0,0,0,0|1,0,2]=4 1777 B9R0.47 COCCCN(C)C(=O)C 11a_100000224831_100015343762 [0,1,0,0,0,0|2,0,1]=4 1778 B9R0.47 COCCCN(C)C(=O)C 1626a_100000224831_100015343762 [0,1,0,0,0,0|2,0,1]=4 1779 B9R0.47 COCCCN(C)C(=O)C 240690a_100000224831_100015343762 [0,1,0,0,0,0|2,0,1]=4 1780 B9R0.47 COCCCN(C)C(=O)C 527a_100000224831_100103153847 [0,1,0,0,0,0|2,0,1]=4 1781 B9R0.48 C#CCC(=O)COC(=O)C 1458a_100000183556_100000184674 [0,1,0,0,0,0|0,0,3]=4 1782 B9R0.48 C#CCN(C)COC(=O)C 34a_100000225692_100009813279 [0,1,0,0,0,0|1,0,2]=4 1783 B9R0.48 C=CCC(=O)CC=C(C)C 1458a_100000210193_100000761012 [0,1,0,0,0,0|2,0,1]=4 1784 B9R0.48 C=CCC(=O)CC=C(C)C 1458a_100011220947_100000210623 [0,1,0,0,0,0|2,0,1]=4 1785 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_100000210193_100000730704 [0,1,0,0,0,0|2,0,1]=4 1786 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_200000688413_100000210623 [0,1,0,0,0,0|2,0,1]=4 1787 B9R0.48 C=CCC(=O)CCC(=O)N 1458a_100011215257_100000210623 [0,1,0,0,0,0|2,0,1]=4 1788 B9R0.48 C=CCC(=O)CNC(=O)C 1458a_100000194580_100000210623 [0,1,0,0,0,0|1,0,1]=3 1789 B9R0.48 C=CCC(=O)CNC(=O)N 1458a_100000184981_100000210623 [0,1,0,0,0,0|2,0,1]=4 1790 B9R0.48 C=CCC(=O)COC(=O)C 1458a_100000183556_100000210623 [0,1,0,0,0,0|0,0,1]=2 1791 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [0,1,0,0,0,0|1,0,2]=4 1792 B9R0.48 C=CCC(=O)CSC(=O)C 1458a_100000049016_100000210623 [0,1,0,0,0,0|0,1,1]=3 1793 B9R0.48 C=CCC(=O)NNC(=O)C 22a_100000189765_100000210193 [0,1,0,0,0,0|2,0,1]=4 1794 B9R0.48 C=CCC(C)COC(C)C 34a_100009832082_100000210206 [0,1,0,0,0,0|1,0,1]=3 1795 B9R0.48 C=CCC(C)COC(C)C 7a_100009832082_100000210206 [0,1,0,0,0,0|1,0,1]=3 1796 B9R0.48 C=CCN(C)C/C=C(/C)\Cl 2230a_100020603554_200000210301 [0,1,0,0,0,0|3,0,0]=4 1797 B9R0.48 C=CCN(C)C/C=C(/C)\Cl 269982a_100020603554_200000210301 [0,1,0,0,0,0|3,0,0]=4 1798 B9R0.48 C=CCN(C)CC=C(C)C 2230a_100000225617_100000761012 [0,1,0,0,0,0|3,0,0]=4 1799 B9R0.48 C=CCN(C)CC=C(C)C 269982a_100000225617_100000761012 [0,1,0,0,0,0|3,0,0]=4 1800 B9R0.48 C=CCN(C)CCC(=C)C 2230a_100000225617_100000730704 [0,1,0,0,0,0|3,0,0]=4 1801 B9R0.48 C=CCN(C)CCC(=C)C 269982a_100000225617_100000730704 [0,1,0,0,0,0|3,0,0]=4 1802 B9R0.48 C=CCN(C)CCC(=O)C 269982a_100000225617_100000053229 [0,1,0,0,0,0|2,0,0]=3 1803 B9R0.48 C=CCN(C)CCC(=O)N 2230a_100000225617_100000744528 [0,1,0,0,0,0|3,0,0]=4 1804 B9R0.48 C=CCN(C)CCC(=O)N 2230a_100000730477_100000210623 [0,1,0,0,0,0|3,0,0]=4 1805 B9R0.48 C=CCN(C)CCC(=O)N 269982a_100000225617_100000744528 [0,1,0,0,0,0|3,0,0]=4 1806 B9R0.48 C=CCN(C)COC(=O)C 269982a_100000225617_100000076356 [0,1,0,0,0,0|1,0,0]=2 1807 B9R0.48 C=CCN(C)COC(C)C 2230a_100000225617_100000709892 [0,1,0,0,0,0|2,0,1]=4 1808 B9R0.48 C=CCN(C)COC(C)C 269982a_100000225617_100000709892 [0,1,0,0,0,0|2,0,1]=4 1809 B9R0.48 C=CCN([13CH3])C/C=C(/C)\Cl 2230a_100020603554_200025704644 [0,1,0,0,0,0|3,0,0]=4 1810 B9R0.48 C=CCN([13CH3])C/C=C(/C)\Cl 269982a_100020603554_200025704644 [0,1,0,0,0,0|3,0,0]=4 1811 B9R0.48 C=CC[C@@H](C)OCC(=C)C 34a_100000731007_100000748629 [0,1,0,0,0,0|3,0,0]=4 1812 B9R0.48 C=CC[C@@H](C)OCC(=C)C 7a_100000731007_100000748629 [0,1,0,0,0,0|3,0,0]=4 1813 B9R0.48 C=CC[C@@H](C)OCC(=O)N 34a_100000731007_100000187820 [0,1,0,0,0,0|3,0,0]=4 1814 B9R0.48 C=CC[C@@H](C)OCC(=O)N 7a_100000731007_100000187820 [0,1,0,0,0,0|3,0,0]=4 1815 B9R0.48 C=CC[C@@H](C)OCC(=O)[O-] 34a_100000731007_100020667443 [0,1,0,0,0,0|3,0,0]=4 1816 B9R0.48 C=CC[C@@H](N)COC(C)C 34a_100020615467_100000210206 [0,1,0,0,0,0|1,0,1]=3 1817 B9R0.48 CC(=O)OCC(=O)CC#N 1458a_100000183556_100011214920 [0,1,0,0,0,0|1,0,2]=4 1818 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,1,0,0,0,0|1,0,2]=4 1819 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,1,0,0,0,0|1,0,2]=4 1820 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,1,0,0,0,0|1,0,2]=4 1821 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,1,0,0,0,0|1,0,2]=4 1822 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200000139349_200025704644 [0,1,0,0,0,0|1,0,1]=3 1823 B9R0.48 CC(=O)OCC(O)CS[13CH3] 62a_200025704644_200000139349 [0,1,0,0,0,0|1,0,1]=3 1824 B9R0.48 CC(=O)OCN(C)CCO 269982a_100000210263_100000076356 [0,1,0,0,0,0|2,0,1]=4 1825 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200000116872_200025704644 [0,1,0,0,0,0|1,1,1]=4 1826 B9R0.48 CC(=O)SCC(C)CS[13CH3] 62a_200025704644_200000116872 [0,1,0,0,0,0|1,1,1]=4 1827 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,1,0,0,0,0|0,0,3]=4 1828 B9R0.48 CCCN(C)COC(=O)C 269982a_100000747261_100000076356 [0,1,0,0,0,0|1,0,2]=4 1829 B9R0.48 CCNC(C)COC(=O)C 270004a_100015525214_100000000629 [0,1,0,0,0,0|1,0,2]=4 1830 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,1,0,0,0,0|1,0,2]=4 1831 B9R0.48 CNCC(C)CSC(=O)C 2230a_106832991635_200000116872 [0,1,0,0,0,0|1,1,1]=4 1832 B9R0.48 CNCC(C)CSC(=O)C 34a_100102657272_200000116872 [0,1,0,0,0,0|1,1,1]=4 1833 B9R0.48 CNCC(C)CSC(=O)C 7a_106832991635_200000116872 [0,1,0,0,0,0|1,1,1]=4 1834 B9R0.48 CNCC(O)COC(=O)C 34a_100102657272_200000139349 [0,1,0,0,0,0|1,0,1]=3 1835 B9R0.48 CNCC(O)COC(=O)C 7a_106832991635_200000139349 [0,1,0,0,0,0|1,0,1]=3 1836 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,1,0,0,0,0|1,0,2]=4 1837 B9R0.48 COCC(C)CSC(=O)C 34a_100138415774_200000116872 [0,1,0,0,0,0|1,1,1]=4 1838 B9R0.48 COCC(O)CNC(=O)C 240690a_100000756049_100015343762 [0,1,0,0,0,0|2,0,1]=4 1839 B9R0.48 COCC(O)CNC(=O)C 527a_100000756049_100103153847 [0,1,0,0,0,0|2,0,1]=4 1840 B9R0.48 COCC(O)COC(=O)C 34a_100138415774_200000139349 [0,1,0,0,0,0|1,0,1]=3 1841 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,1,0,0,0,0|1,0,2]=4 1842 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,1,0,0,0,0|1,0,2]=4 1843 B9R0.48 CSCC(C)CSC(=O)C 62a_200000116872_200000210301 [0,1,0,0,0,0|1,1,1]=4 1844 B9R0.48 CSCC(C)CSC(=O)C 62a_200000210301_200000116872 [0,1,0,0,0,0|1,1,1]=4 1845 B9R0.48 CSCC(O)COC(=O)C 62a_200000139349_200000210301 [0,1,0,0,0,0|1,0,1]=3 1846 B9R0.48 CSCC(O)COC(=O)C 62a_200000210301_200000139349 [0,1,0,0,0,0|1,0,1]=3 1847 B9R0.55 C=C(Br)CCOCC(=O)N 34a_100009813270_100000187820 [0,1,0,0,0,0|3,0,0]=4 1848 B9R0.55 C=C(Br)CCOCC(=O)[O-] 34a_100009813270_100020667443 [0,1,0,0,0,0|3,0,0]=4 1849 B9R0.55 C=C(C)CCNCC(=O)N 2230a_100000711301_100000730704 [0,1,0,0,0,0|3,0,0]=4 1850 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,1,0,0,0,0|3,0,0]=4 1851 B9R0.55 C=C(C)CCOCC(=C)C 34a_100000210245_100000730704 [0,1,0,0,0,0|3,0,0]=4 1852 B9R0.55 C=C(C)CCOCC(=C)C 34a_100000764851_100000748629 [0,1,0,0,0,0|3,0,0]=4 1853 B9R0.55 C=C(C)CCOCC(=C)F 34a_100000764851_100009893438 [0,1,0,0,0,0|3,0,0]=4 1854 B9R0.55 C=C(C)CCOCC(=C)F 34a_200010262243_100000730704 [0,1,0,0,0,0|3,0,0]=4 1855 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [0,1,0,0,0,0|2,0,0]=3 1856 B9R0.55 C=C(C)CCOCC(=O)N 34a_100000764851_100000187820 [0,1,0,0,0,0|3,0,0]=4 1857 B9R0.55 C=C(C)CCOCC(=O)[O-] 34a_100000764851_100020667443 [0,1,0,0,0,0|3,0,0]=4 1858 B9R0.55 C=C(C)CCSCC(=C)C 62a_100000730704_100000211660 [0,1,0,0,0,0|3,0,0]=4 1859 B9R0.55 C=C(C)CCSCC(=C)C 62a_100000748629_100000730704 [0,1,0,0,0,0|3,0,0]=4 1860 B9R0.55 C=C(C)CCSCC(=C)F 62a_100000042424_100000730704 [0,1,0,0,0,0|3,0,0]=4 1861 B9R0.55 C=C(C)CCSCC(=C)F 62a_100000730704_100000042424 [0,1,0,0,0,0|3,0,0]=4 1862 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000730704_100000747473 [0,1,0,0,0,0|3,0,0]=4 1863 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000747473_100000730704 [0,1,0,0,0,0|3,0,0]=4 1864 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100000730704_100020667443 [0,1,0,0,0,0|3,0,0]=4 1865 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100020667443_100000730704 [0,1,0,0,0,0|3,0,0]=4 1866 B9R0.55 C=C(C)CNCC=C(C)C 34a_100000718196_100000748629 [0,1,0,0,0,0|3,0,0]=4 1867 B9R0.55 C=C(C)COCC=C(C)C 34a_100000210245_100000761012 [0,1,0,0,0,0|3,0,0]=4 1868 B9R0.55 C=C(C)COCC=C(C)C 34a_100000753907_100000748629 [0,1,0,0,0,0|3,0,0]=4 1869 B9R0.55 C=C(C)COCCC(=C)Br 34a_100009813270_100000748629 [0,1,0,0,0,0|3,0,0]=4 1870 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [0,1,0,0,0,0|2,0,0]=3 1871 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [0,1,0,0,0,0|2,0,0]=3 1872 B9R0.55 C=C(C)COCCC(=O)N 34a_100000210245_100000731001 [0,1,0,0,0,0|3,0,0]=4 1873 B9R0.55 C=C(C)COCCC(=O)N 34a_100000757172_100000748629 [0,1,0,0,0,0|3,0,0]=4 1874 B9R0.55 C=C(C)COCCC(=O)N 7a_100000757172_100000748629 [0,1,0,0,0,0|3,0,0]=4 1875 B9R0.55 C=C(C)COCOC(=O)C 34a_100000210245_100009813279 [0,1,0,0,0,0|1,0,0]=2 1876 B9R0.55 C=C(C)COCOC(C)C 34a_100000210245_100000709892 [0,1,0,0,0,0|2,0,1]=4 1877 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000748629_100000761012 [0,1,0,0,0,0|3,0,0]=4 1878 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000761012_100000211660 [0,1,0,0,0,0|3,0,0]=4 1879 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [0,1,0,0,0,0|2,0,0]=3 1880 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [0,1,0,0,0,0|2,0,0]=3 1881 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000744528_100000211660 [0,1,0,0,0,0|3,0,0]=4 1882 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000748629_100000744528 [0,1,0,0,0,0|3,0,0]=4 1883 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000076356_100000211660 [0,1,0,0,0,0|1,0,0]=2 1884 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000748629_100000076356 [0,1,0,0,0,0|1,0,0]=2 1885 B9R0.55 C=C(C)CSCOC(C)C 62a_100000709892_100000211660 [0,1,0,0,0,0|2,0,1]=4 1886 B9R0.55 C=C(C)CSCOC(C)C 62a_100000748629_100000709892 [0,1,0,0,0,0|2,0,1]=4 1887 B9R0.55 C=C(F)CNCC=C(C)C 34a_100000718196_100009893438 [0,1,0,0,0,0|3,0,0]=4 1888 B9R0.55 C=C(F)COCC=C(C)C 34a_100000753907_100009893438 [0,1,0,0,0,0|3,0,0]=4 1889 B9R0.55 C=C(F)COCC=C(C)C 34a_200010262243_100000761012 [0,1,0,0,0,0|3,0,0]=4 1890 B9R0.55 C=C(F)COCCC(=O)C 34a_100000759926_100009893438 [0,1,0,0,0,0|2,0,0]=3 1891 B9R0.55 C=C(F)COCCC(=O)C 7a_100000759926_100000042424 [0,1,0,0,0,0|2,0,0]=3 1892 B9R0.55 C=C(F)COCCC(=O)N 34a_100000757172_100009893438 [0,1,0,0,0,0|3,0,0]=4 1893 B9R0.55 C=C(F)COCCC(=O)N 34a_200010262243_100000731001 [0,1,0,0,0,0|3,0,0]=4 1894 B9R0.55 C=C(F)COCCC(=O)N 7a_100000757172_100000042424 [0,1,0,0,0,0|3,0,0]=4 1895 B9R0.55 C=C(F)COCOC(=O)C 34a_200010262243_100009813279 [0,1,0,0,0,0|1,0,0]=2 1896 B9R0.55 C=C(F)COCOC(C)C 34a_200010262243_100000709892 [0,1,0,0,0,0|2,0,1]=4 1897 B9R0.55 C=C(F)CSCC=C(C)C 62a_100000042424_100000761012 [0,1,0,0,0,0|3,0,0]=4 1898 B9R0.55 C=C(F)CSCC=C(C)C 62a_100000761012_100000042424 [0,1,0,0,0,0|3,0,0]=4 1899 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000042424_100000053229 [0,1,0,0,0,0|2,0,0]=3 1900 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000053229_100000042424 [0,1,0,0,0,0|2,0,0]=3 1901 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000042424_100000744528 [0,1,0,0,0,0|3,0,0]=4 1902 B9R0.55 C=C(F)CSCCC(=O)N 62a_100000744528_100000042424 [0,1,0,0,0,0|3,0,0]=4 1903 B9R0.55 C=C(F)CSCOC(=O)C 62a_100000042424_100000076356 [0,1,0,0,0,0|1,0,0]=2 1904 B9R0.55 C=C(F)CSCOC(=O)C 62a_100000076356_100000042424 [0,1,0,0,0,0|1,0,0]=2 1905 B9R0.55 C=C(F)CSCOC(C)C 62a_100000042424_100000709892 [0,1,0,0,0,0|2,0,1]=4 1906 B9R0.55 C=C(F)CSCOC(C)C 62a_100000709892_100000042424 [0,1,0,0,0,0|2,0,1]=4 1907 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [0,1,0,0,0,0|3,0,0]=4 1908 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,1,0,0,0,0|1,0,1]=3 1909 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,1,0,0,0,0|1,0,2]=4 1910 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,1,0,0,0,0|1,0,2]=4 1911 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,1,0,0,0,0|2,0,1]=4 1912 B9R0.55 CC(=O)CCCN=C(N)N 1458a_100000034108_200000210301 [0,1,0,0,0,0|3,0,0]=4 1913 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,1,0,0,0,0|1,0,1]=3 1914 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,1,0,0,0,0|0,0,1]=2 1915 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [0,1,0,0,0,0|0,1,1]=3 1916 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,1,0,0,0,0|1,0,2]=4 1917 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,1,0,0,0,0|1,0,2]=4 1918 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,1,0,0,0,0|1,0,2]=4 1919 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,1,0,0,0,0|0,1,1]=3 1920 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,1,0,0,0,0|3,0,0]=4 1921 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,1,0,0,0,0|3,0,0]=4 1922 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,1,0,0,0,0|3,0,0]=4 1923 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,1,0,0,0,0|3,0,0]=4 1924 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,1,0,0,0,0|3,0,0]=4 1925 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [0,1,0,0,0,0|3,0,0]=4 1926 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [0,1,0,0,0,0|3,0,0]=4 1927 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [0,1,0,0,0,0|3,0,0]=4 1928 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [0,1,0,0,0,0|3,0,0]=4 1929 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [0,1,0,0,0,0|3,0,0]=4 1930 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [0,1,0,0,0,0|3,0,0]=4 1931 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [0,1,0,0,0,0|1,0,1]=3 1932 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [0,1,0,0,0,0|2,0,0]=3 1933 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [0,1,0,0,0,0|2,0,0]=3 1934 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,1,0,0,0,0|1,0,1]=3 1935 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,1,0,0,0,0|1,0,2]=4 1936 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,1,0,0,0,0|1,0,2]=4 1937 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,1,0,0,0,0|1,0,2]=4 1938 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,1,0,0,0,0|1,0,2]=4 1939 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [0,1,0,0,0,0|2,0,1]=4 1940 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [0,1,0,0,0,0|2,0,1]=4 1941 B9R0.55 CC(=O)NCCCS(=O)C 11a_200000753449_100015343762 [0,1,0,0,0,0|2,0,1]=4 1942 B9R0.55 CC(=O)NCCCS(=O)C 240690a_200000753449_100015343762 [0,1,0,0,0,0|2,0,1]=4 1943 B9R0.55 CC(=O)NCCCS(=O)C 527a_200000753449_100103153847 [0,1,0,0,0,0|2,0,1]=4 1944 B9R0.55 CC(=O)NCCNC(=O)C 240690a_100000209853_100015343762 [0,1,0,0,0,0|2,0,1]=4 1945 B9R0.55 CC(=O)NCCNC(=O)C 527a_100000209853_100103153847 [0,1,0,0,0,0|2,0,1]=4 1946 B9R0.55 CC(=O)NCCNC(=O)N 240690a_100020590234_100015343762 [0,1,0,0,0,0|3,0,0]=4 1947 B9R0.55 CC(=O)NCCNC(=O)N 527a_100020590234_100103153847 [0,1,0,0,0,0|3,0,0]=4 1948 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [0,1,0,0,0,0|1,0,1]=3 1949 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [0,1,0,0,0,0|1,0,1]=3 1950 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [0,1,0,0,0,0|1,0,1]=3 1951 B9R0.55 CC(=O)NCCSC(=O)C 11a_100020647217_100015343762 [0,1,0,0,0,0|1,1,1]=4 1952 B9R0.55 CC(=O)NCCSC(=O)C 240690a_100020647217_100015343762 [0,1,0,0,0,0|1,1,1]=4 1953 B9R0.55 CC(=O)NCCSC(=O)C 527a_100020647217_100103153847 [0,1,0,0,0,0|1,1,1]=4 1954 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,1,0,0,0,0|1,0,1]=3 1955 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [0,1,0,0,0,0|1,0,2]=4 1956 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [0,1,0,0,0,0|1,0,2]=4 1957 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [0,1,0,0,0,0|1,0,2]=4 1958 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [0,1,0,0,0,0|1,0,2]=4 1959 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,1,0,0,0,0|2,0,0]=3 1960 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [0,1,0,0,0,0|1,0,2]=4 1961 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,1,0,0,0,0|1,0,2]=4 1962 B9R0.55 CC(=O)OCNCC(F)F 34a_100000765723_100009813279 [0,1,0,0,0,0|2,0,1]=4 1963 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [0,1,0,0,0,0|1,0,2]=4 1964 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [0,1,0,0,0,0|1,0,2]=4 1965 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [0,1,0,0,0,0|1,0,2]=4 1966 B9R0.55 CC(=O)OCOCC(F)F 34a_100000743014_100009813279 [0,1,0,0,0,0|2,0,1]=4 1967 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [0,1,0,0,0,0|1,0,2]=4 1968 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [0,1,0,0,0,0|1,0,2]=4 1969 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000076356_100000747473 [0,1,0,0,0,0|2,0,0]=3 1970 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000747473_100000076356 [0,1,0,0,0,0|2,0,0]=3 1971 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100000076356_100020667443 [0,1,0,0,0,0|2,0,0]=3 1972 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100020667443_100000076356 [0,1,0,0,0,0|2,0,0]=3 1973 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [0,1,0,0,0,0|1,0,2]=4 1974 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [0,1,0,0,0,0|1,0,2]=4 1975 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [0,1,0,0,0,0|1,0,2]=4 1976 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [0,1,0,0,0,0|1,0,2]=4 1977 B9R0.55 CC(=O)OCSCC(F)F 62a_100000076356_100011934356 [0,1,0,0,0,0|2,0,1]=4 1978 B9R0.55 CC(=O)OCSCC(F)F 62a_100011934356_100000076356 [0,1,0,0,0,0|2,0,1]=4 1979 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [0,1,0,0,0,0|1,0,2]=4 1980 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [0,1,0,0,0,0|1,0,2]=4 1981 B9R0.55 CC(=O)OCSC[N+](=O)[O-] 62a_100000076356_100000761209 [0,1,0,0,0,0|3,0,0]=4 1982 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [0,1,0,0,0,0|1,1,1]=4 1983 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [0,1,0,0,0,0|1,1,1]=4 1984 B9R0.55 CC(=S)OCCCN(C)C 2230a_100102631434_200135323944 [0,1,0,0,0,0|1,1,1]=4 1985 B9R0.55 CC(=S)OCCCN(C)C 269982a_100102631434_200135323944 [0,1,0,0,0,0|1,1,1]=4 1986 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,1,0,0,0,0|1,0,2]=4 1987 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [0,1,0,0,0,0|2,0,1]=4 1988 B9R0.55 [13CH3]C(=O)CCCN=C(N)N 1458a_100000034108_200025704644 [0,1,0,0,0,0|3,0,0]=4 1989 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [0,1,0,0,0,0|3,0,0]=4 1990 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,0,0,1,0,0|1,0,2]=4 1991 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [0,0,0,1,0,0|2,0,1]=4 1992 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [0,0,0,1,0,0|2,0,1]=4 1993 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [0,0,0,1,0,0|2,0,1]=4 1994 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [0,0,0,1,0,0|2,0,1]=4 1995 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [0,0,0,1,0,0|2,0,1]=4 1996 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [0,0,0,1,0,0|2,0,1]=4 1997 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [0,0,0,1,0,0|2,0,1]=4 1998 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [0,0,0,1,0,0|2,0,1]=4 1999 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,1,0,0|1,0,1]=3 2000 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,0,0,1,0,0|2,0,1]=4 2001 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,1,0,0|2,0,0]=3 2002 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [0,0,0,1,0,0|3,0,0]=4 2003 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,1,0,0|1,0,0]=2 2004 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,1,0,0|1,0,2]=4 2005 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,1,0,0|1,0,2]=4 2006 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,1,0,0|2,0,1]=4 2007 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,1,0,0|2,0,1]=4 2008 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,1,0,0|2,0,1]=4 2009 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [0,0,0,1,0,0|1,0,2]=4 2010 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [0,0,0,1,0,0|1,0,2]=4 2011 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [0,0,0,1,0,0|1,0,2]=4 2012 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [0,0,0,1,0,0|1,0,2]=4 2013 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,0,0,1,0,0|2,0,1]=4 2014 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,0,0,1,0,0|2,0,1]=4 2015 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [0,0,0,1,0,0|1,0,2]=4 2016 B9R1.6 CN(C)C1C=CCCC1 2230a_100102631434_100000751183 [0,0,0,1,0,0|3,0,0]=4 2017 B9R1.6 CN(C)C1C=CCCC1 269982a_100102631434_100000751183 [0,0,0,1,0,0|3,0,0]=4 2018 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,1,0,0|1,0,1]=3 2019 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,0,0,1,0,0|2,0,1]=4 2020 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,1,0,0|2,0,0]=3 2021 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [0,0,0,1,0,0|3,0,0]=4 2022 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,1,0,0|1,0,2]=4 2023 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,1,0,0|2,0,1]=4 2024 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,1,0,0|2,0,1]=4 2025 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [0,0,0,1,0,0|1,0,2]=4 2026 B9R1.7 C=CCN1CNC(=O)C1 2230a_200000708111_100000210623 [0,0,0,1,0,0|2,0,0]=3 2027 B9R1.7 C=CCc1noc(n1)C 270196a_100000746013_100000070787 [0,0,0,1,0,0|2,0,1]=4 2028 B9R1.7 CNCC1CNC(=O)C1 2230a_100016993742_200000210301 [0,0,0,1,0,0|2,0,1]=4 2029 B9R1.7 CNCC1CNC(=O)C1 34a_100016993742_200000210301 [0,0,0,1,0,0|2,0,1]=4 2030 B9R1.7 CNCC1COC(=O)O1 34a_100102657272_100000073702 [0,0,0,1,0,0|2,0,1]=4 2031 B9R1.7 CNC[C@H]1COC(=O)N1 2230a_106832991635_100015307671 [0,0,0,1,0,0|2,0,1]=4 2032 B9R1.7 CNC[C@H]1COC(=O)N1 34a_100102657272_100015307671 [0,0,0,1,0,0|2,0,1]=4 2033 B9R1.7 CNC[C@H]1COC(=O)N1 7a_106832991635_100015307671 [0,0,0,1,0,0|2,0,1]=4 2034 B9R1.7 COCC1CNC(=O)C1 34a_100016041077_200000210301 [0,0,0,1,0,0|2,0,1]=4 2035 B9R1.7 COCC1COC(=O)O1 34a_100138415774_100000073702 [0,0,0,1,0,0|2,0,1]=4 2036 B9R1.7 COC[C@H]1COC(=O)N1 34a_100138415774_100015307671 [0,0,0,1,0,0|2,0,1]=4 2037 B9R1.7 CSCC1COC(=O)O1 62a_100000073702_200000210301 [0,0,0,1,0,0|2,0,1]=4 2038 B9R1.7 CSCC1COC(=O)O1 62a_200000210301_100000073702 [0,0,0,1,0,0|2,0,1]=4 2039 B9R1.7 CSC[C@H]1COC(=O)N1 62a_100015307671_200000210301 [0,0,0,1,0,0|2,0,1]=4 2040 B9R1.7 CSC[C@H]1COC(=O)N1 62a_200000210301_100015307671 [0,0,0,1,0,0|2,0,1]=4 2041 B9R1.7 O=CCN1CNC(=O)C1 2230a_200000708111_200015260668 [0,0,0,1,0,0|3,0,0]=4 2042 B9R1.7 [13CH3]NCC1CNC(=O)C1 2230a_100016993742_200025704644 [0,0,0,1,0,0|2,0,1]=4 2043 B9R1.7 [13CH3]NCC1CNC(=O)C1 34a_100016993742_200025704644 [0,0,0,1,0,0|2,0,1]=4 2044 B9R1.7 [13CH3]OCC1CNC(=O)C1 34a_100016041077_200025704644 [0,0,0,1,0,0|2,0,1]=4 2045 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_100000073702_200025704644 [0,0,0,1,0,0|2,0,1]=4 2046 B9R1.7 [13CH3]SCC1COC(=O)O1 62a_200025704644_100000073702 [0,0,0,1,0,0|2,0,1]=4 2047 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_100015307671_200025704644 [0,0,0,1,0,0|2,0,1]=4 2048 B9R1.7 [13CH3]SC[C@H]1COC(=O)N1 62a_200025704644_100015307671 [0,0,0,1,0,0|2,0,1]=4 2049 B9R1.9 C=CCNC1CC(=C)C1 2230a_100132301982_100000210623 [0,0,0,1,0,0|3,0,0]=4 2050 B9R1.9 C=CCSC1CC(=O)C1 62a_100009894365_100000210623 [0,0,0,1,0,0|2,0,0]=3 2051 B9R1.9 O=CCSC1CC(=O)C1 62a_100009894365_200015260668 [0,0,0,1,0,0|3,0,0]=4 2052 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [0,0,0,1,0,0|1,0,2]=4 2053 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [0,0,0,1,0,0|1,0,0]=2 2054 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [0,0,0,1,0,0|1,0,2]=4 2055 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [0,0,0,1,0,0|1,0,2]=4 2056 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [0,0,0,1,0,0|1,0,2]=4 2057 B9R1.13 CC(=O)CC1CCCO1 1458a_100000070787_100000203698 [0,0,0,1,0,0|2,0,1]=4 2058 B9R1.13 CC(=O)CC1CCOC1 1458a_100000070787_100000702531 [0,0,0,1,0,0|2,0,1]=4 2059 B9R1.13 CC(=O)CC1CCOC1 1458a_100011218419_200000210301 [0,0,0,1,0,0|2,0,1]=4 2060 B9R1.13 CC(=O)NC1C=CN=N1 11a_100134613517_100015343762 [0,0,0,1,0,0|3,0,0]=4 2061 B9R1.13 CC(=O)NC1C=CN=N1 240690a_100134613517_100015343762 [0,0,0,1,0,0|3,0,0]=4 2062 B9R1.13 CC(=O)NC1CC=CC1 11a_100015188752_100015343762 [0,0,0,1,0,0|1,0,2]=4 2063 B9R1.13 CC(=O)NC1CC=CC1 1626a_100015188752_100015343762 [0,0,0,1,0,0|1,0,2]=4 2064 B9R1.13 CC(=O)NC1CC=CC1 240690a_100015188752_100015343762 [0,0,0,1,0,0|1,0,2]=4 2065 B9R1.13 CC(=O)NC1CC=CC1 527a_100015188752_100103153847 [0,0,0,1,0,0|1,0,2]=4 2066 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [0,0,0,1,0,0|1,0,2]=4 2067 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [0,0,0,1,0,0|1,0,2]=4 2068 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [0,0,0,1,0,0|1,0,2]=4 2069 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [0,0,0,1,0,0|1,0,2]=4 2070 B9R1.13 CC(=O)N[C@@H]1CCOC1 240690a_200015188469_100015343762 [0,0,0,1,0,0|2,0,1]=4 2071 B9R1.13 CC(=O)N[C@@H]1CCOC1 527a_200015188469_100103153847 [0,0,0,1,0,0|2,0,1]=4 2072 B9R1.13 CC(=O)N[C@H]1CCOC1 11a_100015188467_100015343762 [0,0,0,1,0,0|2,0,1]=4 2073 B9R1.13 CC(=O)N[C@H]1CCOC1 1626a_100015188467_100015343762 [0,0,0,1,0,0|2,0,1]=4 2074 B9R1.13 CC(=O)N[C@H]1CCOC1 240690a_100015188467_100015343762 [0,0,0,1,0,0|2,0,1]=4 2075 B9R1.13 CC(=O)N[C@H]1CCOC1 527a_100015188467_100103153847 [0,0,0,1,0,0|2,0,1]=4 2076 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [0,0,0,1,0,0|1,0,2]=4 2077 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [0,0,0,1,0,0|1,0,0]=2 2078 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [0,0,0,1,0,0|1,0,2]=4 2079 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [0,0,0,1,0,0|1,0,2]=4 2080 B9R1.13 [13CH3]C(=O)CC1CCOC1 1458a_100011218419_200025704644 [0,0,0,1,0,0|2,0,1]=4 2081 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,0,0,1,0,0|2,0,0]=3 2082 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [0,0,0,1,0,0|1,0,2]=4 2083 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,0,0,1,0,0|3,0,0]=4 2084 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,0,0,1,0,0|1,0,2]=4 2085 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,0,0,1,0,0|1,0,2]=4 2086 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,0,0,1,0,0|1,0,2]=4 2087 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,0,0,1,0,0|1,0,2]=4 2088 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,0,0,1,0,0|1,0,2]=4 2089 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [0,0,0,1,0,0|2,0,1]=4 2090 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [0,0,0,1,0,0|1,0,2]=4 2091 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [0,0,0,1,0,0|2,0,1]=4 2092 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,0,0,1,0,0|2,0,1]=4 2093 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,0,0,1,0,0|2,0,1]=4 2094 B9R1.67 CC(C)OC1CCC1=O 34a_100000212225_100009892977 [0,0,0,1,0,0|2,0,1]=4 2095 B9R1.83 C=CCCCNC1CC1 34a_100000212008_100000757094 [0,0,0,1,0,0|2,0,1]=4 2096 B9R1.83 C=CCCCNC1CC1 34a_100000700776_100000211595 [0,0,0,1,0,0|2,0,1]=4 2097 B9R1.83 C=CCCCOC1CC1 34a_100000758997_100000211595 [0,0,0,1,0,0|1,0,1]=3 2098 B9R1.83 C=CCCCSC1CC1 62a_100011713584_100000211595 [0,0,0,1,0,0|1,1,1]=4 2099 B9R1.83 C=COCCOC1CC1 34a_100000033082_100000211595 [0,0,0,1,0,0|2,0,1]=4 2100 B9R1.84 CC(=O)NCC1CCC1 11a_100000738700_100015343762 [0,0,0,1,0,0|1,0,2]=4 2101 B9R1.84 CC(=O)NCC1CCC1 1626a_100000738700_100015343762 [0,0,0,1,0,0|1,0,2]=4 2102 B9R1.84 CC(=O)NCC1CCC1 240690a_100000738700_100015343762 [0,0,0,1,0,0|1,0,2]=4 2103 B9R1.84 CC(=O)NCC1CCC1 527a_100000738700_100103153847 [0,0,0,1,0,0|1,0,2]=4 2104 B9R1.84 CC(=O)NCC1COC1 11a_100015281925_100015343762 [0,0,0,1,0,0|2,0,1]=4 2105 B9R1.84 CC(=O)NCC1COC1 1626a_100015281925_100015343762 [0,0,0,1,0,0|2,0,1]=4 2106 B9R1.84 CC(=O)NCC1COC1 240690a_100015281925_100015343762 [0,0,0,1,0,0|2,0,1]=4 2107 B9R1.84 CC(=O)NCC1COC1 527a_100015281925_100103153847 [0,0,0,1,0,0|2,0,1]=4 2108 B9R1.84 CC(=O)NC[C@@H]1CCO1 11a_100020831831_100015343762 [0,0,0,1,0,0|2,0,1]=4 2109 B9R1.84 CC(=O)NC[C@@H]1CCO1 1626a_100020831831_100015343762 [0,0,0,1,0,0|2,0,1]=4 2110 B9R1.84 CC(=O)NC[C@@H]1CCO1 240690a_100020831831_100015343762 [0,0,0,1,0,0|2,0,1]=4 2111 B9R1.84 CC(=O)NC[C@@H]1CCO1 527a_100020831831_100103153847 [0,0,0,1,0,0|2,0,1]=4 2112 B9R1.84 CC(=O)OCN1CCC1 269982a_100000754969_100000076356 [0,0,0,1,0,0|1,0,2]=4 2113 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,0,0,1,0,0|2,0,1]=4 2114 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,0,0,1,0,0|1,0,2]=4 2115 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,0,0,1,0,0|1,0,2]=4 2116 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,0,0,1,0,0|1,0,2]=4 2117 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [0,0,0,1,0,0|1,0,2]=4 2118 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [0,0,0,1,0,0|1,0,2]=4 2119 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [2,0,0,0,0,0|0,0,2]=4 2120 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [2,0,0,0,0,0|0,0,2]=4 2121 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [2,0,0,0,0,0|0,0,2]=4 2122 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [2,0,0,0,0,0|0,0,2]=4 2123 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [2,0,0,0,0,0|0,0,2]=4 2124 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|0,0,2]=4 2125 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|0,0,2]=4 2126 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|1,0,0]=3 2127 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|1,0,0]=3 2128 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|1,0,0]=3 2129 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|1,0,0]=3 2130 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|1,0,0]=3 2131 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|1,0,0]=3 2132 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|1,0,0]=3 2133 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|0,0,0]=2 2134 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|0,0,0]=2 2135 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|0,0,0]=2 2136 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|0,0,0]=2 2137 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|0,0,0]=2 2138 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|0,1,0]=3 2139 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|0,1,0]=3 2140 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|0,1,0]=3 2141 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|0,1,0]=3 2142 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [2,0,0,0,0,0|1,0,1]=4 2143 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [2,0,0,0,0,0|1,0,1]=4 2144 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [2,0,0,0,0,0|0,0,1]=3 2145 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [2,0,0,0,0,0|0,0,1]=3 2146 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [2,0,0,0,0,0|1,0,1]=4 2147 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [2,0,0,0,0,0|0,1,1]=4 2148 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [2,0,0,0,0,0|0,1,1]=4 2149 B6R0.6 C=CCNCC=C 2230a_100020586998_100000210623 [2,0,0,0,0,0|1,0,1]=4 2150 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [2,0,0,0,0,0|1,0,0]=3 2151 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [2,0,0,0,0,0|1,0,1]=4 2152 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [2,0,0,0,0,0|1,0,0]=3 2153 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [2,0,0,0,0,0|1,1,0]=4 2154 B6R0.6 C=CCOCC=C 34a_200000210373_100015514636 [2,0,0,0,0,0|1,0,1]=4 2155 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [2,0,0,0,0,0|1,0,0]=3 2156 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [2,0,0,0,0,0|1,0,1]=4 2157 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [2,0,0,0,0,0|1,0,1]=4 2158 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [2,0,0,0,0,0|1,1,0]=4 2159 B6R0.6 C=CCSCC=C 62a_100000210623_100000210623 [2,0,0,0,0,0|1,0,1]=4 2160 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [2,0,0,0,0,0|1,0,0]=3 2161 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [2,0,0,0,0,0|1,0,0]=3 2162 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [2,0,0,0,0,0|1,0,1]=4 2163 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [2,0,0,0,0,0|1,0,1]=4 2164 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [2,0,0,0,0,0|1,0,0]=3 2165 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [2,0,0,0,0,0|1,0,0]=3 2166 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [2,0,0,0,0,0|1,1,0]=4 2167 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [2,0,0,0,0,0|1,1,0]=4 2168 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [2,0,0,0,0,0|2,0,0]=4 2169 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [2,0,0,0,0,0|2,0,0]=4 2170 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [2,0,0,0,0,0|2,0,0]=4 2171 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [2,0,0,0,0,0|1,0,0]=3 2172 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [2,0,0,0,0,0|1,0,0]=3 2173 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [2,0,0,0,0,0|1,0,0]=3 2174 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [2,0,0,0,0,0|1,1,0]=4 2175 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [2,0,0,0,0,0|1,1,0]=4 2176 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [2,0,0,0,0,0|1,1,0]=4 2177 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [2,0,0,0,0,0|1,1,0]=4 2178 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|0,0,2]=4 2179 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|0,0,2]=4 2180 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|0,0,2]=4 2181 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|0,0,2]=4 2182 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|0,0,2]=4 2183 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|0,0,2]=4 2184 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|0,0,2]=4 2185 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|0,0,2]=4 2186 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|1,0,1]=4 2187 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|1,0,1]=4 2188 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|1,0,1]=4 2189 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|1,0,1]=4 2190 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|1,0,1]=4 2191 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,1]=4 2192 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,1]=4 2193 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,1]=4 2194 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [2,0,0,0,0,0|1,0,1]=4 2195 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [2,0,0,0,0,0|1,0,1]=4 2196 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [2,0,0,0,0,0|1,0,1]=4 2197 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [2,0,0,0,0,0|1,0,1]=4 2198 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [2,0,0,0,0,0|1,0,1]=4 2199 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [2,0,0,0,0,0|1,0,1]=4 2200 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [2,0,0,0,0,0|1,0,1]=4 2201 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [2,0,0,0,0,0|1,0,1]=4 2202 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [2,0,0,0,0,0|1,0,1]=4 2203 B6R0.6 COCCCCF 34a_100011995726_200000210301 [2,0,0,0,0,0|1,0,1]=4 2204 B6R0.6 COCCCCF 34a_100138415774_100000729493 [2,0,0,0,0,0|1,0,1]=4 2205 B6R0.6 COCCCCF 7a_100011995726_200000210301 [2,0,0,0,0,0|1,0,1]=4 2206 B6R0.6 COCCCCI 34a_200012148704_200000210301 [2,0,0,0,0,0|1,0,1]=4 2207 B6R0.6 COCCCCN 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 2208 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,1]=4 2209 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [2,0,0,0,0,0|1,0,1]=4 2210 B6R0.6 COCCCOC 34a_100000740835_200000210301 [2,0,0,0,0,0|1,0,1]=4 2211 B6R0.6 COCCCOC 34a_100138415774_100000740836 [2,0,0,0,0,0|1,0,1]=4 2212 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [2,0,0,0,0,0|1,0,1]=4 2213 B6R0.6 COCCCSC 34a_100000690336_200000210301 [2,0,0,0,0,0|1,0,1]=4 2214 B6R0.6 COCCCSC 62a_100000709357_200000210301 [2,0,0,0,0,0|1,0,1]=4 2215 B6R0.6 COCCCSC 62a_200000210301_100000709357 [2,0,0,0,0,0|1,0,1]=4 2216 B6R0.6 COCCCSC 7a_100000690336_200000210301 [2,0,0,0,0,0|1,0,1]=4 2217 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [2,0,0,0,0,0|1,0,1]=4 2218 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [2,0,0,0,0,0|1,0,1]=4 2219 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [2,0,0,0,0,0|2,0,0]=4 2220 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [2,0,0,0,0,0|2,0,0]=4 2221 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,1]=4 2222 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,1]=4 2223 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [2,0,0,0,0,0|1,0,1]=4 2224 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [2,0,0,0,0,0|1,0,1]=4 2225 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [2,0,0,0,0,0|2,0,0]=4 2226 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [2,0,0,0,0,0|1,0,1]=4 2227 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [2,0,0,0,0,0|1,0,1]=4 2228 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [2,0,0,0,0,0|1,0,1]=4 2229 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [2,0,0,0,0,0|1,0,1]=4 2230 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [2,0,0,0,0,0|1,0,1]=4 2231 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [2,0,0,0,0,0|1,0,1]=4 2232 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 2233 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,1]=4 2234 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,1]=4 2235 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [2,0,0,0,0,0|0,0,2]=4 2236 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [2,0,0,0,0,0|0,0,2]=4 2237 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [2,0,0,0,0,0|0,0,2]=4 2238 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,2]=4 2239 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [2,0,0,0,0,0|0,0,2]=4 2240 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [2,0,0,0,0,0|0,0,2]=4 2241 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|0,0,0]=2 2242 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|0,0,0]=2 2243 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|0,0,0]=2 2244 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [2,0,0,0,0,0|2,0,0]=4 2245 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [2,0,0,0,0,0|2,0,0]=4 2246 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [2,0,0,0,0,0|2,0,0]=4 2247 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [2,0,0,0,0,0|2,0,0]=4 2248 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [2,0,0,0,0,0|2,0,0]=4 2249 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [2,0,0,0,0,0|2,0,0]=4 2250 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [2,0,0,0,0,0|1,0,0]=3 2251 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [2,0,0,0,0,0|1,0,0]=3 2252 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [2,0,0,0,0,0|1,0,0]=3 2253 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [2,0,0,0,0,0|1,0,1]=4 2254 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [2,0,0,0,0,0|1,0,1]=4 2255 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [2,0,0,0,0,0|1,0,1]=4 2256 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [2,0,0,0,0,0|1,0,1]=4 2257 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,0]=3 2258 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,0]=3 2259 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|1,0,1]=4 2260 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|1,0,1]=4 2261 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|1,0,1]=4 2262 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|1,0,1]=4 2263 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [2,0,0,0,0,0|2,0,0]=4 2264 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 2265 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 2266 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 2267 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [2,0,0,0,0,0|2,0,0]=4 2268 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|2,0,0]=4 2269 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|2,0,0]=4 2270 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|1,0,0]=3 2271 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|1,0,0]=3 2272 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,2]=4 2273 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,2]=4 2274 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,2]=4 2275 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [2,0,0,0,0,0|1,0,1]=4 2276 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [2,0,0,0,0,0|1,0,1]=4 2277 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|1,0,1]=4 2278 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|1,0,1]=4 2279 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,1]=3 2280 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,1]=3 2281 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,1]=3 2282 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 2283 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 2284 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 2285 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,0]=3 2286 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [2,0,0,0,0,0|1,0,1]=4 2287 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [2,0,0,0,0,0|1,0,1]=4 2288 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [2,0,0,0,0,0|2,0,0]=4 2289 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,1]=4 2290 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,1]=4 2291 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,1]=4 2292 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,1]=4 2293 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,1]=4 2294 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,1]=4 2295 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|1,0,0]=3 2296 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|1,0,1]=4 2297 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|1,0,1]=4 2298 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|1,0,1]=4 2299 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|1,0,1]=4 2300 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|1,0,1]=4 2301 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|1,0,0]=3 2302 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|1,0,1]=4 2303 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|1,0,1]=4 2304 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|1,0,1]=4 2305 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|1,0,1]=4 2306 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|1,0,1]=4 2307 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|1,0,0]=3 2308 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|1,0,0]=3 2309 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [2,0,0,0,0,0|1,0,1]=4 2310 B8R0.1 C=CCC(=O)C/C=C/C 1458a_100000210193_100102629194 [1,1,0,0,0,0|1,0,1]=4 2311 B8R0.1 C=CCC(=O)CC=CC 1458a_100000210193_100000070051 [1,1,0,0,0,0|1,0,1]=4 2312 B8R0.1 C=CCC(=O)CC=CC 1458a_100121576822_100000210623 [1,1,0,0,0,0|1,0,1]=4 2313 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [1,1,0,0,0,0|0,0,2]=4 2314 B8R0.1 C=CCC(C)COCC 34a_100009832082_100000210202 [1,1,0,0,0,0|0,0,1]=3 2315 B8R0.1 C=CCC(C)COCC 7a_100009832082_100000210202 [1,1,0,0,0,0|0,0,1]=3 2316 B8R0.1 C=CCC(C)COCF 34a_100009832082_100015361967 [1,1,0,0,0,0|1,0,1]=4 2317 B8R0.1 C=CCC(C)COCF 7a_100009832082_100015361967 [1,1,0,0,0,0|1,0,1]=4 2318 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [1,1,0,0,0,0|1,0,1]=4 2319 B8R0.1 C=CCCC(C)NCC 270004a_100015525214_100000762624 [1,1,0,0,0,0|1,0,1]=4 2320 B8R0.1 C=CCCC(C)OCC 34a_100000765329_100000210202 [1,1,0,0,0,0|0,0,1]=3 2321 B8R0.1 C=CCCC(C)OCC 7a_100000765329_100000210202 [1,1,0,0,0,0|0,0,1]=3 2322 B8R0.1 C=CCCC(C)OCF 34a_100000765329_100015361967 [1,1,0,0,0,0|1,0,1]=4 2323 B8R0.1 C=CCCC(C)OCF 7a_100000765329_100015361967 [1,1,0,0,0,0|1,0,1]=4 2324 B8R0.1 C=CCCN(C)CC=O 2230a_100020639649_200015260668 [1,1,0,0,0,0|2,0,0]=4 2325 B8R0.1 C=CCCN(C)CC=O 269982a_100020639649_200015260668 [1,1,0,0,0,0|2,0,0]=4 2326 B8R0.1 C=CCN(C)C/C=C/C 269982a_100000225617_100102629194 [1,1,0,0,0,0|2,0,0]=4 2327 B8R0.1 C=CCN(C)CC=CC 2230a_100000225617_100000070051 [1,1,0,0,0,0|2,0,0]=4 2328 B8R0.1 C=CCN(C)COCC 269982a_100000225617_100000739092 [1,1,0,0,0,0|1,0,1]=4 2329 B8R0.1 C=CCOC(C)/C=C/C 34a_200102604097_100015514636 [1,1,0,0,0,0|2,0,0]=4 2330 B8R0.1 C=CC[C@@H](C)OCC=O 34a_100000731007_200009817547 [1,1,0,0,0,0|2,0,0]=4 2331 B8R0.1 C=CC[C@@H](C)OCC=O 7a_100000731007_200015260668 [1,1,0,0,0,0|2,0,0]=4 2332 B8R0.1 C=CC[C@@H](N)COCC 34a_100020615467_100000210202 [1,1,0,0,0,0|0,0,1]=3 2333 B8R0.1 C=CC[C@@H](N)COCF 34a_100020615467_100015361967 [1,1,0,0,0,0|1,0,1]=4 2334 B8R0.4 C#CCCCOCC=O 34a_100000215630_200009817547 [1,1,0,0,0,0|0,0,2]=4 2335 B8R0.4 C#CCCCOCC=O 7a_100000215630_200015260668 [1,1,0,0,0,0|0,0,2]=4 2336 B8R0.4 C#CCOCCCC=C 34a_100000210247_100000757094 [1,1,0,0,0,0|0,0,2]=4 2337 B8R0.4 C#CCOCCCC=C 34a_100000758997_100000184674 [1,1,0,0,0,0|0,0,2]=4 2338 B8R0.4 C#CCOCCCC=C 7a_100000758997_100000038162 [1,1,0,0,0,0|0,0,2]=4 2339 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [1,1,0,0,0,0|0,0,2]=4 2340 B8R0.4 C/C=C/COC/C=C/C 34a_100016270725_100102629194 [1,1,0,0,0,0|2,0,0]=4 2341 B8R0.4 C/C=C/CSC/C=C/C 62a_100102629194_100102629194 [1,1,0,0,0,0|2,0,0]=4 2342 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [1,1,0,0,0,0|1,0,1]=4 2343 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [1,1,0,0,0,0|1,0,1]=4 2344 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [1,1,0,0,0,0|1,0,1]=4 2345 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [1,1,0,0,0,0|1,0,1]=4 2346 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [1,1,0,0,0,0|1,0,1]=4 2347 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [1,1,0,0,0,0|1,0,1]=4 2348 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [1,1,0,0,0,0|1,0,1]=4 2349 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [1,1,0,0,0,0|1,0,1]=4 2350 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [1,1,0,0,0,0|1,0,1]=4 2351 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [1,1,0,0,0,0|1,0,1]=4 2352 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [1,1,0,0,0,0|1,0,1]=4 2353 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [1,1,0,0,0,0|1,0,1]=4 2354 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [1,1,0,0,0,0|1,0,1]=4 2355 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [1,1,0,0,0,0|1,0,1]=4 2356 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [1,1,0,0,0,0|1,0,1]=4 2357 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [1,1,0,0,0,0|1,0,1]=4 2358 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [1,1,0,0,0,0|1,0,1]=4 2359 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [1,1,0,0,0,0|2,0,0]=4 2360 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,1,0,0,0,0|0,0,1]=3 2361 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,1,0,0,0,0|0,0,1]=3 2362 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,1,0,0,0,0|0,0,1]=3 2363 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [1,1,0,0,0,0|1,0,1]=4 2364 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [1,1,0,0,0,0|1,0,1]=4 2365 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [1,1,0,0,0,0|0,1,1]=4 2366 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [1,1,0,0,0,0|0,1,1]=4 2367 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [1,1,0,0,0,0|2,0,0]=4 2368 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [1,1,0,0,0,0|2,0,0]=4 2369 B8R0.4 C=CCCCNCC=C 2230a_100000700776_100000210623 [1,1,0,0,0,0|1,0,1]=4 2370 B8R0.4 C=CCCCNCC=C 2230a_100020586998_100011713584 [1,1,0,0,0,0|1,0,1]=4 2371 B8R0.4 C=CCCCNCC=C 34a_100000700776_100015514636 [1,1,0,0,0,0|1,0,1]=4 2372 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [1,1,0,0,0,0|1,0,0]=3 2373 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [1,1,0,0,0,0|1,0,0]=3 2374 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [1,1,0,0,0,0|1,0,1]=4 2375 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [1,1,0,0,0,0|1,0,1]=4 2376 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [1,1,0,0,0,0|1,0,1]=4 2377 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [1,1,0,0,0,0|1,0,1]=4 2378 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [1,1,0,0,0,0|1,0,1]=4 2379 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [1,1,0,0,0,0|1,0,1]=4 2380 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [1,1,0,0,0,0|1,0,1]=4 2381 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [1,1,0,0,0,0|1,0,1]=4 2382 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [1,1,0,0,0,0|1,0,1]=4 2383 B8R0.4 C=CCCCNCOC 2230a_100000700776_100000766300 [1,1,0,0,0,0|1,0,1]=4 2384 B8R0.4 C=CCCCNCSC 2230a_100000700776_100011218213 [1,1,0,0,0,0|1,0,1]=4 2385 B8R0.4 C=CCCCNCSC 34a_100000700776_100011218213 [1,1,0,0,0,0|1,0,1]=4 2386 B8R0.4 C=CCCCOCC#N 7a_100000758997_100011215382 [1,1,0,0,0,0|0,0,2]=4 2387 B8R0.4 C=CCCCOCC=C 34a_100000758997_100015514636 [1,1,0,0,0,0|0,0,1]=3 2388 B8R0.4 C=CCCCOCC=C 34a_200000210373_100000757094 [1,1,0,0,0,0|0,0,1]=3 2389 B8R0.4 C=CCCCOCC=C 7a_100000758997_100015514636 [1,1,0,0,0,0|0,0,1]=3 2390 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [1,1,0,0,0,0|0,0,0]=2 2391 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [1,1,0,0,0,0|0,0,0]=2 2392 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [1,1,0,0,0,0|0,0,1]=3 2393 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [1,1,0,0,0,0|0,0,1]=3 2394 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [1,1,0,0,0,0|0,0,1]=3 2395 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [1,1,0,0,0,0|0,0,1]=3 2396 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [1,1,0,0,0,0|0,0,1]=3 2397 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [1,1,0,0,0,0|0,0,1]=3 2398 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [1,1,0,0,0,0|0,0,1]=3 2399 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [1,1,0,0,0,0|0,0,1]=3 2400 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [1,1,0,0,0,0|0,0,1]=3 2401 B8R0.4 C=CCCCOCSC 34a_100000758997_100011218213 [1,1,0,0,0,0|0,0,1]=3 2402 B8R0.4 C=CCCCSCC=C 62a_100000210623_100000757094 [1,1,0,0,0,0|0,1,1]=4 2403 B8R0.4 C=CCCCSCC=C 62a_100011713584_100000210623 [1,1,0,0,0,0|0,1,1]=4 2404 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [1,1,0,0,0,0|0,1,0]=3 2405 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [1,1,0,0,0,0|0,1,0]=3 2406 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [1,1,0,0,0,0|0,1,1]=4 2407 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [1,1,0,0,0,0|0,1,1]=4 2408 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [1,1,0,0,0,0|0,1,1]=4 2409 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [1,1,0,0,0,0|0,1,1]=4 2410 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [1,1,0,0,0,0|0,1,1]=4 2411 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [1,1,0,0,0,0|0,1,1]=4 2412 B8R0.4 C=CCCCSCOC 62a_100000766300_100000757094 [1,1,0,0,0,0|0,1,1]=4 2413 B8R0.4 C=CCCCSCOC 62a_100011713584_100000766300 [1,1,0,0,0,0|0,1,1]=4 2414 B8R0.4 C=CCCCSCSC 62a_100011218213_100000757094 [1,1,0,0,0,0|0,1,1]=4 2415 B8R0.4 C=CCCCSCSC 62a_100011713584_100011218213 [1,1,0,0,0,0|0,1,1]=4 2416 B8R0.4 C=CCCNCC#CC 2230a_100000685387_100000754431 [1,1,0,0,0,0|1,0,1]=4 2417 B8R0.4 C=CCCNCC#CC 2230a_100015191253_100000748600 [1,1,0,0,0,0|1,0,1]=4 2418 B8R0.4 C=CCCNCC#CC 34a_100000685387_100000754431 [1,1,0,0,0,0|1,0,1]=4 2419 B8R0.4 C=CCCNCC=CC 2230a_100015191253_100000070051 [1,1,0,0,0,0|1,0,0]=3 2420 B8R0.4 C=CCCNCCC=C 2230a_100015191253_100000754431 [1,1,0,0,0,0|1,0,1]=4 2421 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [1,1,0,0,0,0|1,0,1]=4 2422 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [1,1,0,0,0,0|1,0,1]=4 2423 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [1,1,0,0,0,0|1,0,1]=4 2424 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [1,1,0,0,0,0|2,0,0]=4 2425 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [1,1,0,0,0,0|2,0,0]=4 2426 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [1,1,0,0,0,0|2,0,0]=4 2427 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [1,1,0,0,0,0|2,0,0]=4 2428 B8R0.4 C=CCCOC/C=C/C 34a_100011205117_100102629194 [1,1,0,0,0,0|1,0,0]=3 2429 B8R0.4 C=CCCOC/C=C/C 34a_100016270725_100000754431 [1,1,0,0,0,0|1,0,0]=3 2430 B8R0.4 C=CCCOCC#CC 34a_100000761923_100000754431 [1,1,0,0,0,0|1,0,1]=4 2431 B8R0.4 C=CCCOCC#CC 34a_100011205117_100000748600 [1,1,0,0,0,0|1,0,1]=4 2432 B8R0.4 C=CCCOCC=CC 34a_100011205117_100000070051 [1,1,0,0,0,0|1,0,0]=3 2433 B8R0.4 C=CCCOCCC=C 34a_100011205117_100000754431 [1,1,0,0,0,0|1,0,1]=4 2434 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [1,1,0,0,0,0|1,0,1]=4 2435 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [1,1,0,0,0,0|1,0,1]=4 2436 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [1,1,0,0,0,0|1,0,1]=4 2437 B8R0.4 C=CCCOCCOC 34a_100000210237_100000754431 [1,1,0,0,0,0|2,0,0]=4 2438 B8R0.4 C=CCCOCCOC 34a_100011205117_100011201679 [1,1,0,0,0,0|2,0,0]=4 2439 B8R0.4 C=CCCOCCSC 34a_100000230434_100000754431 [1,1,0,0,0,0|2,0,0]=4 2440 B8R0.4 C=CCCOCCSC 34a_100011205117_100000212216 [1,1,0,0,0,0|2,0,0]=4 2441 B8R0.4 C=CCCOCCSC 7a_100000230434_100000754431 [1,1,0,0,0,0|2,0,0]=4 2442 B8R0.4 C=CCCSC/C=C/C 62a_100000754431_100102629194 [1,1,0,0,0,0|1,0,0]=3 2443 B8R0.4 C=CCCSC/C=C/C 62a_100102629194_100000754431 [1,1,0,0,0,0|1,0,0]=3 2444 B8R0.4 C=CCCSCC#CC 62a_100000748600_100000754431 [1,1,0,0,0,0|1,0,1]=4 2445 B8R0.4 C=CCCSCC#CC 62a_100000754431_100000748600 [1,1,0,0,0,0|1,0,1]=4 2446 B8R0.4 C=CCCSCC=CC 62a_100000070051_100000754431 [1,1,0,0,0,0|1,0,0]=3 2447 B8R0.4 C=CCCSCC=CC 62a_100000754431_100000070051 [1,1,0,0,0,0|1,0,0]=3 2448 B8R0.4 C=CCCSCCC=C 62a_100000754431_100000754431 [1,1,0,0,0,0|1,0,1]=4 2449 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [1,1,0,0,0,0|1,0,1]=4 2450 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [1,1,0,0,0,0|1,0,1]=4 2451 B8R0.4 C=CCCSCCOC 62a_100000233755_100000754431 [1,1,0,0,0,0|2,0,0]=4 2452 B8R0.4 C=CCCSCCOC 62a_100000754431_100000233755 [1,1,0,0,0,0|2,0,0]=4 2453 B8R0.4 C=CCCSCCSC 62a_100000212216_100000754431 [1,1,0,0,0,0|2,0,0]=4 2454 B8R0.4 C=CCCSCCSC 62a_100000754431_100000751147 [1,1,0,0,0,0|2,0,0]=4 2455 B8R0.4 C=CCCSCOCC 62a_100000739092_100000754431 [1,1,0,0,0,0|0,0,1]=3 2456 B8R0.4 C=CCCSCOCC 62a_100000754431_100000739092 [1,1,0,0,0,0|0,0,1]=3 2457 B8R0.4 C=CCNC/C=C\CC 2230a_100020586998_100103147603 [1,1,0,0,0,0|2,0,0]=4 2458 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [1,1,0,0,0,0|1,0,0]=3 2459 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [1,1,0,0,0,0|1,0,1]=4 2460 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [1,1,0,0,0,0|1,0,1]=4 2461 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [1,1,0,0,0,0|2,0,0]=4 2462 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [1,1,0,0,0,0|2,0,0]=4 2463 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [1,1,0,0,0,0|2,0,0]=4 2464 B8R0.4 C=CCNCCOC=C 2230a_100020586998_100000039644 [1,1,0,0,0,0|0,0,1]=3 2465 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [1,1,0,0,0,0|0,0,1]=3 2466 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [1,1,0,0,0,0|0,0,1]=3 2467 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [1,1,0,0,0,0|0,0,1]=3 2468 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [1,1,0,0,0,0|0,1,1]=4 2469 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [1,1,0,0,0,0|0,1,1]=4 2470 B8R0.4 C=CCOC/C=C\CC 34a_100016268518_100015514636 [1,1,0,0,0,0|2,0,0]=4 2471 B8R0.4 C=CCOC/C=C\CC 34a_200000210373_100103147603 [1,1,0,0,0,0|2,0,0]=4 2472 B8R0.4 C=CCOCC/C=C/C 34a_100016278192_100015514636 [1,1,0,0,0,0|1,0,0]=3 2473 B8R0.4 C=CCOCCC#CC 34a_100000750427_100015514636 [1,1,0,0,0,0|1,0,1]=4 2474 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [1,1,0,0,0,0|1,0,1]=4 2475 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [1,1,0,0,0,0|1,0,1]=4 2476 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [1,1,0,0,0,0|1,0,1]=4 2477 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [1,1,0,0,0,0|2,0,0]=4 2478 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [1,1,0,0,0,0|2,0,0]=4 2479 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [1,1,0,0,0,0|2,0,0]=4 2480 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [1,1,0,0,0,0|2,0,0]=4 2481 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [1,1,0,0,0,0|2,0,0]=4 2482 B8R0.4 C=CCOCCOC=C 34a_100000033082_100015514636 [1,1,0,0,0,0|0,0,1]=3 2483 B8R0.4 C=CCOCCOC=C 34a_200000210373_100000039644 [1,1,0,0,0,0|0,0,1]=3 2484 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [1,1,0,0,0,0|0,0,1]=3 2485 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [1,1,0,0,0,0|0,0,1]=3 2486 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [1,1,0,0,0,0|0,0,1]=3 2487 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [1,1,0,0,0,0|0,0,1]=3 2488 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [1,1,0,0,0,0|0,0,1]=3 2489 B8R0.4 C=CCOCCOCF 34a_100000037705_100015361967 [1,1,0,0,0,0|1,0,1]=4 2490 B8R0.4 C=CCOCCOCF 7a_100000037705_100015361967 [1,1,0,0,0,0|1,0,1]=4 2491 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [1,1,0,0,0,0|0,1,1]=4 2492 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [1,1,0,0,0,0|0,1,1]=4 2493 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [1,1,0,0,0,0|0,1,1]=4 2494 B8R0.4 C=CCSC/C=C\CC 62a_100000210623_100103147603 [1,1,0,0,0,0|2,0,0]=4 2495 B8R0.4 C=CCSC/C=C\CC 62a_100103147603_100000210623 [1,1,0,0,0,0|2,0,0]=4 2496 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [1,1,0,0,0,0|1,0,0]=3 2497 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [1,1,0,0,0,0|1,0,0]=3 2498 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [1,1,0,0,0,0|1,0,1]=4 2499 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [1,1,0,0,0,0|1,0,1]=4 2500 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [1,1,0,0,0,0|2,0,0]=4 2501 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [1,1,0,0,0,0|2,0,0]=4 2502 B8R0.4 C=CCSCCOC=C 62a_100000039644_100000210623 [1,1,0,0,0,0|0,0,1]=3 2503 B8R0.4 C=CCSCCOC=C 62a_100000210623_100000039644 [1,1,0,0,0,0|0,0,1]=3 2504 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [1,1,0,0,0,0|0,0,1]=3 2505 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [1,1,0,0,0,0|0,0,1]=3 2506 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [1,1,0,0,0,0|0,1,1]=4 2507 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [1,1,0,0,0,0|0,1,1]=4 2508 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [1,1,0,0,0,0|2,0,0]=4 2509 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [1,1,0,0,0,0|2,0,0]=4 2510 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [1,1,0,0,0,0|2,0,0]=4 2511 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [1,1,0,0,0,0|2,0,0]=4 2512 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [1,1,0,0,0,0|1,0,1]=4 2513 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [1,1,0,0,0,0|1,0,1]=4 2514 B8R0.4 C=COCCOCC=O 34a_100000033082_200009817547 [1,1,0,0,0,0|1,0,0]=3 2515 B8R0.4 C=COCCOCCBr 34a_100000211926_100000039644 [1,1,0,0,0,0|1,0,1]=4 2516 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [1,1,0,0,0,0|1,0,1]=4 2517 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [1,1,0,0,0,0|1,0,1]=4 2518 B8R0.4 C=COCCOCCF 34a_100000033082_100011217306 [1,1,0,0,0,0|1,0,1]=4 2519 B8R0.4 C=COCCOCCN 34a_100000210304_100000039644 [1,1,0,0,0,0|1,0,1]=4 2520 B8R0.4 C=COCCOCCO 34a_100000033082_100000211926 [1,1,0,0,0,0|1,0,1]=4 2521 B8R0.4 C=COCCOCSC 34a_100000033082_100011218213 [1,1,0,0,0,0|1,0,1]=4 2522 B8R0.4 C=COCCSCC=O 62a_100000039644_200015260668 [1,1,0,0,0,0|1,0,1]=4 2523 B8R0.4 C=COCCSCC=O 62a_200015260668_100000039644 [1,1,0,0,0,0|1,0,1]=4 2524 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,1,0,0,0,0|0,0,1]=3 2525 B8R0.4 CC=CCCCOCF 34a_100020645299_100015361967 [1,1,0,0,0,0|1,0,1]=4 2526 B8R0.4 CC=CCOC/C=C/C 34a_100016270725_100000070051 [1,1,0,0,0,0|2,0,0]=4 2527 B8R0.4 CC=CCSC/C=C/C 62a_100000070051_100102629194 [1,1,0,0,0,0|2,0,0]=4 2528 B8R0.4 CC=CCSC/C=C/C 62a_100102629194_100000070051 [1,1,0,0,0,0|2,0,0]=4 2529 B8R0.4 CC=CCSCC=CC 62a_100000070051_100000070051 [1,1,0,0,0,0|2,0,0]=4 2530 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [1,1,0,0,0,0|1,0,1]=4 2531 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [1,1,0,0,0,0|1,0,1]=4 2532 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [1,1,0,0,0,0|0,0,2]=4 2533 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [1,1,0,0,0,0|0,0,2]=4 2534 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [1,1,0,0,0,0|1,0,1]=4 2535 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [1,1,0,0,0,0|1,0,1]=4 2536 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [1,1,0,0,0,0|1,0,1]=4 2537 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [1,1,0,0,0,0|1,0,1]=4 2538 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [1,1,0,0,0,0|1,0,1]=4 2539 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [1,1,0,0,0,0|1,0,1]=4 2540 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [1,1,0,0,0,0|1,0,1]=4 2541 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [1,1,0,0,0,0|1,0,1]=4 2542 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [1,1,0,0,0,0|1,0,1]=4 2543 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [1,1,0,0,0,0|1,0,1]=4 2544 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [1,1,0,0,0,0|1,0,1]=4 2545 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [1,1,0,0,0,0|1,1,0]=4 2546 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [1,1,0,0,0,0|1,1,0]=4 2547 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [1,1,0,0,0,0|1,0,1]=4 2548 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [1,1,0,0,0,0|1,0,1]=4 2549 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [1,1,0,0,0,0|1,0,1]=4 2550 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [1,1,0,0,0,0|1,0,1]=4 2551 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [1,1,0,0,0,0|1,0,1]=4 2552 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [1,1,0,0,0,0|1,0,1]=4 2553 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [1,1,0,0,0,0|0,0,2]=4 2554 B8R0.6 C=CC(C)COCC=O 34a_100011215527_200009817547 [1,1,0,0,0,0|2,0,0]=4 2555 B8R0.6 C=CC(C)COCC=O 7a_100011215527_200015260668 [1,1,0,0,0,0|2,0,0]=4 2556 B8R0.6 C=CC(C)OC/C=C/C 34a_100000695699_100102629194 [1,1,0,0,0,0|2,0,0]=4 2557 B8R0.6 C=CC(C)OCC=CC 34a_100000695699_100000070051 [1,1,0,0,0,0|2,0,0]=4 2558 B8R0.6 C=CC(C)SC/C=C/C 62a_100011215867_100102629194 [1,1,0,0,0,0|2,0,0]=4 2559 B8R0.6 C=CC(C)SCC=CC 62a_100011215867_100000070051 [1,1,0,0,0,0|2,0,0]=4 2560 B8R0.6 C=CC(C)SCOCC 62a_100011215867_100000739092 [1,1,0,0,0,0|1,0,1]=4 2561 B8R0.6 C=CC(O)CSCC=O 62a_100000730141_200015260668 [1,1,0,0,0,0|2,0,0]=4 2562 B8R0.6 C=CC(O)CSCC=O 62a_200015260668_100000730141 [1,1,0,0,0,0|2,0,0]=4 2563 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [1,1,0,0,0,0|1,0,1]=4 2564 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,1,0,0,0,0|1,0,1]=4 2565 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,1,0,0,0,0|1,0,1]=4 2566 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [1,1,0,0,0,0|2,0,0]=4 2567 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [1,1,0,0,0,0|2,0,0]=4 2568 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [1,1,0,0,0,0|2,0,0]=4 2569 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [1,1,0,0,0,0|2,0,0]=4 2570 B8R0.6 C=CCCCN(C)CC 2230a_100000225621_100011713584 [1,1,0,0,0,0|1,0,1]=4 2571 B8R0.6 C=CCCCN(C)CC 269982a_100000225621_100000757094 [1,1,0,0,0,0|1,0,1]=4 2572 B8R0.6 C=COCCC(=O)C=C 1458a_100000185746_100000039644 [1,1,0,0,0,0|0,0,2]=4 2573 B8R0.6 C=C[C@H](N)COCC=O 34a_100016989147_200009817547 [1,1,0,0,0,0|2,0,0]=4 2574 B8R0.5 C=CCC(=O)CC(=C)C 1458a_100000210193_100000748629 [1,1,0,0,0,0|1,0,1]=4 2575 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100000210193_100000187820 [1,1,0,0,0,0|1,0,1]=4 2576 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100134613110_100000210623 [1,1,0,0,0,0|1,0,1]=4 2577 B8R0.5 C=CCC(=O)CC(=O)[O-] 1458a_100000210193_100020667443 [1,1,0,0,0,0|1,0,1]=4 2578 B8R0.5 C=CCN(C)CC(=C)C 2230a_100000225617_100000748629 [1,1,0,0,0,0|2,0,0]=4 2579 B8R0.5 C=CCN(C)CC(=C)C 2230a_100000225649_100000210623 [1,1,0,0,0,0|2,0,0]=4 2580 B8R0.5 C=CCN(C)CC(=C)C 269982a_100000225617_100000748629 [1,1,0,0,0,0|2,0,0]=4 2581 B8R0.5 C=CCN(C)CC(=C)C 269982a_100000225649_100000210623 [1,1,0,0,0,0|2,0,0]=4 2582 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000225617_100000747473 [1,1,0,0,0,0|2,0,0]=4 2583 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000739694_100000210623 [1,1,0,0,0,0|2,0,0]=4 2584 B8R0.5 C=CCN(C)CC(=O)N 269982a_100000225617_100000187820 [1,1,0,0,0,0|2,0,0]=4 2585 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [1,1,0,0,0,0|2,0,0]=4 2586 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [1,1,0,0,0,0|2,0,0]=4 2587 B8R0.5 C=CCN(C)CC(=O)[O-] 269982a_100000225617_100020667443 [1,1,0,0,0,0|2,0,0]=4 2588 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [1,1,0,0,0,0|2,0,0]=4 2589 B8R0.5 C=CC[C@@H](C)OC(C)C 34a_100000731007_100000210206 [1,1,0,0,0,0|1,0,1]=4 2590 B8R0.5 C=CC[C@@H](C)OC(C)C 7a_100000731007_100000210206 [1,1,0,0,0,0|1,0,1]=4 2591 B8R0.5 C=COC(=O)CC(=O)C 1458a_100000070787_100000036128 [1,1,0,0,0,0|1,0,1]=4 2592 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,1,0,0,0,0|2,0,0]=4 2593 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,1,0,0,0,0|2,0,0]=4 2594 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [1,1,0,0,0,0|2,0,0]=4 2595 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [1,1,0,0,0,0|2,0,0]=4 2596 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|0,0,2]=4 2597 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|0,0,2]=4 2598 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|0,0,2]=4 2599 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|1,0,1]=4 2600 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|1,0,1]=4 2601 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|1,0,1]=4 2602 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|1,0,1]=4 2603 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [1,1,0,0,0,0|1,0,1]=4 2604 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [1,1,0,0,0,0|1,0,1]=4 2605 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [1,1,0,0,0,0|1,0,1]=4 2606 B8R0.8 C=CCCC(C)N(C)C 270004a_100102631434_100000762624 [1,1,0,0,0,0|2,0,0]=4 2607 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [1,1,0,0,0,0|1,0,0]=3 2608 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [1,1,0,0,0,0|1,0,0]=3 2609 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [1,1,0,0,0,0|1,0,0]=3 2610 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [1,1,0,0,0,0|1,0,0]=3 2611 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [1,1,0,0,0,0|1,0,0]=3 2612 B8R0.8 C=CCNC(C)C(=O)N 2230a_100020586998_100000702099 [1,1,0,0,0,0|2,0,0]=4 2613 B8R0.8 C=CCNC(F)C(=O)N 2230a_100020586998_100009813875 [1,1,0,0,0,0|2,0,0]=4 2614 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [1,1,0,0,0,0|2,0,0]=4 2615 B8R0.8 C=CCN[C@H](C)C(=O)N 2230a_100000119354_100000210623 [1,1,0,0,0,0|2,0,0]=4 2616 B8R0.8 C=CCN[C@H](C)C(=O)N 34a_100000119354_100015514636 [1,1,0,0,0,0|2,0,0]=4 2617 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [1,1,0,0,0,0|1,0,0]=3 2618 B8R0.8 C=CCOC(C)C(=O)N 34a_200000210373_100000702099 [1,1,0,0,0,0|2,0,0]=4 2619 B8R0.8 C=CCOC(F)C(=O)N 34a_200000210373_100009813875 [1,1,0,0,0,0|2,0,0]=4 2620 B8R0.8 C=CCOC(F)C(=O)[O-] 34a_200000210373_100020610796 [1,1,0,0,0,0|2,0,0]=4 2621 B8R0.8 C=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100015514636 [1,1,0,0,0,0|2,0,0]=4 2622 B8R0.8 C=CCO[C@H](C)C(=O)N 34a_100000731257_100015514636 [1,1,0,0,0,0|2,0,0]=4 2623 B8R0.8 C=CCO[C@H](C)C(=O)N 7a_100000731257_100015514636 [1,1,0,0,0,0|2,0,0]=4 2624 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [1,1,0,0,0,0|1,0,0]=3 2625 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [1,1,0,0,0,0|1,0,0]=3 2626 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [1,1,0,0,0,0|1,0,0]=3 2627 B8R0.8 C=CCSC(C)C(=O)N 62a_100000210623_100000702099 [1,1,0,0,0,0|2,0,0]=4 2628 B8R0.8 C=CCSC(C)C(=O)N 62a_100000702099_100000210623 [1,1,0,0,0,0|2,0,0]=4 2629 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [1,1,0,0,0,0|1,0,0]=3 2630 B8R0.8 C=CCSC(F)C(=O)N 62a_100000210623_100009813875 [1,1,0,0,0,0|2,0,0]=4 2631 B8R0.8 C=CCSC(F)C(=O)N 62a_100009813875_100000210623 [1,1,0,0,0,0|2,0,0]=4 2632 B8R0.8 C=CCSC(F)C(=O)[O-] 62a_100000210623_100020610796 [1,1,0,0,0,0|2,0,0]=4 2633 B8R0.8 C=CCSC(F)C(=O)[O-] 62a_100020610796_100000210623 [1,1,0,0,0,0|2,0,0]=4 2634 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [1,1,0,0,0,0|2,0,0]=4 2635 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [1,1,0,0,0,0|2,0,0]=4 2636 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [1,1,0,0,0,0|2,0,0]=4 2637 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [1,1,0,0,0,0|2,0,0]=4 2638 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [1,1,0,0,0,0|2,0,0]=4 2639 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|0,0,2]=4 2640 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|0,0,2]=4 2641 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|0,0,2]=4 2642 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|0,0,2]=4 2643 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|0,0,2]=4 2644 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,1,0,0,0,0|1,0,1]=4 2645 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,1,0,0,0,0|1,0,1]=4 2646 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,1,0,0,0,0|1,0,1]=4 2647 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,1,0,0,0,0|1,0,1]=4 2648 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,1,0,0,0,0|1,0,1]=4 2649 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,1,0,0,0,0|1,0,1]=4 2650 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [1,1,0,0,0,0|1,0,1]=4 2651 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [1,1,0,0,0,0|1,0,1]=4 2652 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [1,1,0,0,0,0|1,0,1]=4 2653 B8R0.9 C=CC(C)COC(C)C 34a_100011215527_100000210206 [1,1,0,0,0,0|1,0,1]=4 2654 B8R0.9 C=CC(C)COC(C)C 7a_100011215527_100000210206 [1,1,0,0,0,0|1,0,1]=4 2655 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [1,1,0,0,0,0|2,0,0]=4 2656 B8R0.9 C=CC(C)OCC(=C)C 34a_100000695699_100000748629 [1,1,0,0,0,0|2,0,0]=4 2657 B8R0.9 C=CC(C)OCC(=O)N 34a_100000695699_100000187820 [1,1,0,0,0,0|2,0,0]=4 2658 B8R0.9 C=CC(C)OCC(=O)[O-] 34a_100000695699_100020667443 [1,1,0,0,0,0|2,0,0]=4 2659 B8R0.9 C=CC(C)SCC(=C)C 62a_100011215867_100000211660 [1,1,0,0,0,0|2,0,0]=4 2660 B8R0.9 C=CC(C)SCC(=O)N 62a_100011215867_100000747473 [1,1,0,0,0,0|2,0,0]=4 2661 B8R0.9 C=CC(C)SCC(=O)[O-] 62a_100011215867_100020667443 [1,1,0,0,0,0|2,0,0]=4 2662 B8R0.9 C=CC(O)COC(C)C 34a_100000212225_100000730141 [1,1,0,0,0,0|1,0,1]=4 2663 B8R0.9 C=C[C@H](N)COC(C)C 34a_100016989147_100000210206 [1,1,0,0,0,0|1,0,1]=4 2664 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [1,1,0,0,0,0|2,0,0]=4 2665 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [1,1,0,0,0,0|2,0,0]=4 2666 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [1,1,0,0,0,0|2,0,0]=4 2667 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [1,1,0,0,0,0|2,0,0]=4 2668 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [1,1,0,0,0,0|2,0,0]=4 2669 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [1,1,0,0,0,0|2,0,0]=4 2670 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [1,1,0,0,0,0|1,0,1]=4 2671 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,1,0,0,0,0|0,0,2]=4 2672 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,1,0,0,0,0|0,0,2]=4 2673 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,1,0,0,0,0|0,0,2]=4 2674 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,1,0,0,0,0|1,0,1]=4 2675 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,1,0,0,0,0|1,0,1]=4 2676 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,1,0,0,0,0|1,0,1]=4 2677 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,1,0,0,0,0|1,0,1]=4 2678 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,1,0,0,0,0|1,0,1]=4 2679 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,1,0,0,0,0|1,0,1]=4 2680 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,1,0,0,0,0|1,0,1]=4 2681 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [1,1,0,0,0,0|1,0,1]=4 2682 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [1,1,0,0,0,0|1,0,1]=4 2683 B8R0.21 C=CCCNS(=O)(=O)C 40a_100015191253_100000738038 [1,1,0,0,0,0|2,0,0]=4 2684 B8R0.21 C=CCCOC(C)(C)C 34a_100011205117_100000210625 [1,1,0,0,0,0|1,0,1]=4 2685 B8R0.21 C=CCCOC(C)(C)C 34a_100015890283_100000754431 [1,1,0,0,0,0|1,0,1]=4 2686 B8R0.21 C=CCCOC(C)(C)C 7a_100015890283_100000754431 [1,1,0,0,0,0|1,0,1]=4 2687 B8R0.28 C=C(Br)CCOC(C)C 34a_100009813270_100000210206 [1,1,0,0,0,0|1,0,1]=4 2688 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [1,1,0,0,0,0|1,0,1]=4 2689 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [1,1,0,0,0,0|1,0,1]=4 2690 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [1,1,0,0,0,0|2,0,0]=4 2691 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,1,0,0,0,0|2,0,0]=4 2692 B8R0.28 C=C(C)CNNC(=O)C 22a_100000729518_100000070787 [1,1,0,0,0,0|2,0,0]=4 2693 B8R0.28 C=C(C)COCC(=C)C 34a_100000210245_100000748629 [1,1,0,0,0,0|2,0,0]=4 2694 B8R0.28 C=C(C)COCC(=C)F 34a_100000210245_100009893438 [1,1,0,0,0,0|2,0,0]=4 2695 B8R0.28 C=C(C)COCC(=C)F 34a_200010262243_100000748629 [1,1,0,0,0,0|2,0,0]=4 2696 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [1,1,0,0,0,0|1,0,0]=3 2697 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [1,1,0,0,0,0|2,0,0]=4 2698 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [1,1,0,0,0,0|2,0,0]=4 2699 B8R0.28 C=C(C)CSCC(=C)C 62a_100000748629_100000211660 [1,1,0,0,0,0|2,0,0]=4 2700 B8R0.28 C=C(C)CSCC(=C)F 62a_100000042424_100000211660 [1,1,0,0,0,0|2,0,0]=4 2701 B8R0.28 C=C(C)CSCC(=C)F 62a_100000748629_100000042424 [1,1,0,0,0,0|2,0,0]=4 2702 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [1,1,0,0,0,0|2,0,0]=4 2703 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [1,1,0,0,0,0|2,0,0]=4 2704 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100000748629_100020667443 [1,1,0,0,0,0|2,0,0]=4 2705 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100020667443_100000211660 [1,1,0,0,0,0|2,0,0]=4 2706 B8R0.28 C=C(F)CNCC(=O)N 2230a_100000711301_100009893438 [1,1,0,0,0,0|2,0,0]=4 2707 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [1,1,0,0,0,0|2,0,0]=4 2708 B8R0.28 C=C(F)COCC(=O)C 34a_100000211253_100009893438 [1,1,0,0,0,0|1,0,0]=3 2709 B8R0.28 C=C(F)COCC(=O)N 34a_200010262243_100000187820 [1,1,0,0,0,0|2,0,0]=4 2710 B8R0.28 C=C(F)COCC(=O)[O-] 34a_200010262243_100020667443 [1,1,0,0,0,0|2,0,0]=4 2711 B8R0.28 C=C(F)CSCC(=O)N 62a_100000042424_100000747473 [1,1,0,0,0,0|2,0,0]=4 2712 B8R0.28 C=C(F)CSCC(=O)N 62a_100000747473_100000042424 [1,1,0,0,0,0|2,0,0]=4 2713 B8R0.28 C=C(F)CSCC(=O)[O-] 62a_100000042424_100020667443 [1,1,0,0,0,0|2,0,0]=4 2714 B8R0.28 C=C(F)CSCC(=O)[O-] 62a_100020667443_100000042424 [1,1,0,0,0,0|2,0,0]=4 2715 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,1,0,0,0,0|0,0,2]=4 2716 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [1,1,0,0,0,0|1,0,1]=4 2717 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,1,0,0,0,0|0,0,1]=3 2718 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,1,0,0,0,0|1,0,0]=3 2719 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|0,0,2]=4 2720 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|0,0,2]=4 2721 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|0,0,2]=4 2722 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,1,0,0,0,0|1,0,1]=4 2723 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,1,0,0,0,0|1,0,1]=4 2724 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [1,1,0,0,0,0|2,0,0]=4 2725 B8R0.28 CC(=O)CCN=C(N)N 1458a_100000033030_200000210301 [1,1,0,0,0,0|2,0,0]=4 2726 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,1,0,0,0,0|1,0,1]=4 2727 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,1,0,0,0,0|1,0,1]=4 2728 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [1,1,0,0,0,0|2,0,0]=4 2729 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [1,1,0,0,0,0|2,0,0]=4 2730 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,1,0,0,0,0|0,0,1]=3 2731 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [1,1,0,0,0,0|1,0,1]=4 2732 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,1,0,0,0,0|0,1,1]=4 2733 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [1,1,0,0,0,0|2,0,0]=4 2734 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [1,1,0,0,0,0|2,0,0]=4 2735 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [1,1,0,0,0,0|2,0,0]=4 2736 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [1,1,0,0,0,0|2,0,0]=4 2737 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [1,1,0,0,0,0|2,0,0]=4 2738 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [1,1,0,0,0,0|2,0,0]=4 2739 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,1,0,0,0,0|1,0,1]=4 2740 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,1,0,0,0,0|1,0,1]=4 2741 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,1,0,0,0,0|1,0,1]=4 2742 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,1,0,0,0,0|1,0,1]=4 2743 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,1,0,0,0,0|1,0,1]=4 2744 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|1,0,1]=4 2745 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|1,0,1]=4 2746 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [1,1,0,0,0,0|1,0,1]=4 2747 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [1,1,0,0,0,0|1,0,1]=4 2748 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [1,1,0,0,0,0|1,0,1]=4 2749 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [1,1,0,0,0,0|1,0,1]=4 2750 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [1,1,0,0,0,0|1,0,1]=4 2751 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,1,0,0,0,0|0,1,1]=4 2752 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|0,0,2]=4 2753 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [1,1,0,0,0,0|2,0,0]=4 2754 B8R0.28 [13CH3]C(=O)CCN=C(N)N 1458a_100000033030_200025704644 [1,1,0,0,0,0|2,0,0]=4 2755 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [1,1,0,0,0,0|2,0,0]=4 2756 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [1,1,0,0,0,0|2,0,0]=4 2757 B10R0.3 C#CCC(=O)CCOC(=O)C 1458a_100011220946_100009814007 [0,2,0,0,0,0|0,0,2]=4 2758 B10R0.3 C#CCC(C)OCOC(=O)C 34a_100000685586_100009813279 [0,2,0,0,0,0|0,0,2]=4 2759 B10R0.3 C#CCN(C)CCOC(=O)C 34a_100000225692_100009814007 [0,2,0,0,0,0|0,0,2]=4 2760 B10R0.3 C/C=C/C(C)OCOC(=O)C 34a_200102604097_100009813279 [0,2,0,0,0,0|1,0,0]=3 2761 B10R0.3 C=CCC(=O)CCC=C(C)C 1458a_100000210193_100011217483 [0,2,0,0,0,0|2,0,0]=4 2762 B10R0.3 C=CCC(=O)CCCC(=O)C 1458a_100000210193_100011215641 [0,2,0,0,0,0|1,0,0]=3 2763 B10R0.3 C=CCC(=O)CCCC(=O)N 1458a_100000210193_100102525003 [0,2,0,0,0,0|2,0,0]=4 2764 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000183196_100000210623 [0,2,0,0,0,0|1,0,0]=3 2765 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000210193_100000189650 [0,2,0,0,0,0|1,0,0]=3 2766 B10R0.3 C=CCC(=O)CCNC(=O)N 1458a_100000181464_100000210623 [0,2,0,0,0,0|2,0,0]=4 2767 B10R0.3 C=CCC(=O)CCNC(=O)N 1458a_100000210193_200000034859 [0,2,0,0,0,0|2,0,0]=4 2768 B10R0.3 C=CCC(=O)CCOC(=O)C 1458a_100000210193_100009814007 [0,2,0,0,0,0|0,0,0]=2 2769 B10R0.3 C=CCC(=O)CCOC(=O)N 1458a_100000210193_200011214921 [0,2,0,0,0,0|1,0,0]=3 2770 B10R0.3 C=CCC(=O)CCOC(C)C 1458a_100000210193_100000211751 [0,2,0,0,0,0|1,0,1]=4 2771 B10R0.3 C=CCC(=O)CCSC(=O)C 1458a_100000048949_100000210623 [0,2,0,0,0,0|0,1,0]=3 2772 B10R0.3 C=CCC(=O)COCC(=O)N 1458a_100011219004_100000210623 [0,2,0,0,0,0|1,0,1]=4 2773 B10R0.3 C=CCC(C)COCC(=C)C 34a_100009832082_100000748629 [0,2,0,0,0,0|1,0,0]=3 2774 B10R0.3 C=CCC(C)COCC(=C)C 7a_100009832082_100000748629 [0,2,0,0,0,0|1,0,0]=3 2775 B10R0.3 C=CCC(C)COCC(=C)F 34a_100009832082_100009893438 [0,2,0,0,0,0|1,0,1]=4 2776 B10R0.3 C=CCC(C)COCC(=C)F 7a_100009832082_100000042424 [0,2,0,0,0,0|1,0,1]=4 2777 B10R0.3 C=CCC(C)COCC(=O)N 34a_100009832082_100000187820 [0,2,0,0,0,0|1,0,0]=3 2778 B10R0.3 C=CCC(C)COCC(=O)N 7a_100009832082_100000187820 [0,2,0,0,0,0|1,0,0]=3 2779 B10R0.3 C=CCC(C)COCC(=O)[O-] 34a_100009832082_100020667443 [0,2,0,0,0,0|1,0,0]=3 2780 B10R0.3 C=CCC(C)COCC(C)C 34a_100009832082_100000210624 [0,2,0,0,0,0|1,0,1]=4 2781 B10R0.3 C=CCC(C)COCC(C)C 7a_100009832082_100000210760 [0,2,0,0,0,0|1,0,1]=4 2782 B10R0.3 C=CCC(C)COCC(C)O 34a_100009832082_100011218427 [0,2,0,0,0,0|0,0,2]=4 2783 B10R0.3 C=CCC(C)COCC(C)O 7a_100009832082_100011218427 [0,2,0,0,0,0|0,0,2]=4 2784 B10R0.3 C=CCC(C)COC[C@@H](C)O 34a_100009832082_100009817552 [0,2,0,0,0,0|0,0,2]=4 2785 B10R0.3 C=CCC(C)COC[C@@H](C)O 7a_100009832082_100009817552 [0,2,0,0,0,0|0,0,2]=4 2786 B10R0.3 C=CCC(C)COC[N+](=O)[O-] 34a_100009832082_100000761209 [0,2,0,0,0,0|2,0,0]=4 2787 B10R0.3 C=CCN(C)CCC=C(C)C 2230a_100000225617_100011217483 [0,2,0,0,0,0|2,0,0]=4 2788 B10R0.3 C=CCN(C)CCC=C(C)C 269982a_100000225617_100011217483 [0,2,0,0,0,0|2,0,0]=4 2789 B10R0.3 C=CCN(C)CCCC(=O)C 269982a_100000225617_100011215641 [0,2,0,0,0,0|1,0,0]=3 2790 B10R0.3 C=CCN(C)CCCC(=O)N 269982a_100000225617_100102525003 [0,2,0,0,0,0|2,0,0]=4 2791 B10R0.3 C=CCN(C)CCCC(=O)O 269956a_100000719178_100000210623 [0,2,0,0,0,0|2,0,0]=4 2792 B10R0.3 C=CCN(C)CCNC(=O)C 2230a_100000225617_100000189650 [0,2,0,0,0,0|1,0,0]=3 2793 B10R0.3 C=CCN(C)CCNC(=O)C 269982a_100000225617_100000189650 [0,2,0,0,0,0|1,0,0]=3 2794 B10R0.3 C=CCN(C)CCNC(=O)N 2230a_100000225617_200000034859 [0,2,0,0,0,0|2,0,0]=4 2795 B10R0.3 C=CCN(C)CCNC(=O)N 269982a_100000225617_200000034859 [0,2,0,0,0,0|2,0,0]=4 2796 B10R0.3 C=CCN(C)CCOC(=O)C 269982a_100000225617_100009814007 [0,2,0,0,0,0|0,0,0]=2 2797 B10R0.3 C=CCN(C)CCOC(=O)N 269982a_100000225617_200011214921 [0,2,0,0,0,0|1,0,0]=3 2798 B10R0.3 C=CCN(C)CCOC(C)C 2230a_100000225617_100000211751 [0,2,0,0,0,0|1,0,1]=4 2799 B10R0.3 C=CCN(C)CCOC(C)C 269982a_100000225617_100000211751 [0,2,0,0,0,0|1,0,1]=4 2800 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 34a_100000731007_100000761012 [0,2,0,0,0,0|2,0,0]=4 2801 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 7a_100000731007_100000761012 [0,2,0,0,0,0|2,0,0]=4 2802 B10R0.3 C=CC[C@@H](C)OCCC(=C)C 34a_100000731007_100000730704 [0,2,0,0,0,0|2,0,0]=4 2803 B10R0.3 C=CC[C@@H](C)OCCC(=C)C 7a_100000731007_100000730704 [0,2,0,0,0,0|2,0,0]=4 2804 B10R0.3 C=CC[C@@H](C)OCCC(=O)C 7a_100000731007_100000053229 [0,2,0,0,0,0|1,0,0]=3 2805 B10R0.3 C=CC[C@@H](C)OCCC(=O)N 34a_100000731007_100000731001 [0,2,0,0,0,0|2,0,0]=4 2806 B10R0.3 C=CC[C@@H](C)OCCC(=O)N 7a_100000731007_100000744528 [0,2,0,0,0,0|2,0,0]=4 2807 B10R0.3 C=CC[C@@H](C)OCOC(=O)C 34a_100000731007_100009813279 [0,2,0,0,0,0|0,0,0]=2 2808 B10R0.3 C=CC[C@@H](C)OCOC(C)C 34a_100000731007_100000709892 [0,2,0,0,0,0|1,0,1]=4 2809 B10R0.3 C=CC[C@@H](N)COCC(=C)C 34a_100020615467_100000748629 [0,2,0,0,0,0|1,0,0]=3 2810 B10R0.3 C=CC[C@@H](N)COCC(=C)F 34a_100020615467_100009893438 [0,2,0,0,0,0|1,0,1]=4 2811 B10R0.3 C=CC[C@@H](N)COCC(=O)N 34a_100020615467_100000187820 [0,2,0,0,0,0|1,0,0]=3 2812 B10R0.3 C=CC[C@@H](N)COCC(=O)[O-] 34a_100020615467_100020667443 [0,2,0,0,0,0|1,0,0]=3 2813 B10R0.3 C=CC[C@@H](N)COCC(C)C 34a_100020615467_100000210624 [0,2,0,0,0,0|1,0,1]=4 2814 B10R0.3 C=CC[C@@H](N)COCC(C)O 34a_100020615467_100011218427 [0,2,0,0,0,0|0,0,2]=4 2815 B10R0.3 C=CC[C@@H](N)COC[C@@H](C)O 34a_100020615467_100009817552 [0,2,0,0,0,0|0,0,2]=4 2816 B10R0.3 C=CC[C@@H](N)COC[N+](=O)[O-] 34a_100020615467_100000761209 [0,2,0,0,0,0|2,0,0]=4 2817 B10R0.3 C=COC(=O)COCC(=O)C 34a_100000211253_100000036128 [0,2,0,0,0,0|1,0,1]=4 2818 B10R0.3 CC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215641 [0,2,0,0,0,0|1,0,1]=4 2819 B10R0.3 CC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215641 [0,2,0,0,0,0|1,0,1]=4 2820 B10R0.3 CC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215641 [0,2,0,0,0,0|1,0,1]=4 2821 B10R0.3 CC(=O)NCCC(=O)C=CBr 1458a_100016273825_100000189650 [0,2,0,0,0,0|1,0,1]=4 2822 B10R0.3 CC(=O)NCCC(=O)C=CCl 1458a_200016279998_100000189650 [0,2,0,0,0,0|1,0,1]=4 2823 B10R0.3 CC(=O)NCCC(=O)C=CI 1458a_100016256311_100000189650 [0,2,0,0,0,0|1,0,1]=4 2824 B10R0.3 CC(=O)OCCC(=O)C=CBr 1458a_100016273825_100009814007 [0,2,0,0,0,0|0,0,1]=3 2825 B10R0.3 CC(=O)OCCC(=O)C=CCl 1458a_200016279998_100009814007 [0,2,0,0,0,0|0,0,1]=3 2826 B10R0.3 CC(=O)OCCC(=O)C=CI 1458a_100016256311_100009814007 [0,2,0,0,0,0|0,0,1]=3 2827 B10R0.3 CC(=O)OCCC(=O)CC#N 1458a_100051588842_100009814007 [0,2,0,0,0,0|1,0,1]=4 2828 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,2,0,0,0,0|1,0,1]=4 2829 B10R0.3 CC(=O)OCCN(C)CCO 269982a_100000210263_100009814007 [0,2,0,0,0,0|1,0,1]=4 2830 B10R0.3 CC(=O)OCN[C@H](C)CCO 34a_100000706166_100009813279 [0,2,0,0,0,0|1,0,1]=4 2831 B10R0.3 CC(=O)OCOC(C)CCBr 34a_100012276601_100009813279 [0,2,0,0,0,0|1,0,1]=4 2832 B10R0.3 CC(=O)OCSC(C)CC#N 62a_100000076356_100009813641 [0,2,0,0,0,0|1,0,1]=4 2833 B10R0.3 CC(=O)OCSC(C)CC#N 62a_100009813641_100000076356 [0,2,0,0,0,0|1,0,1]=4 2834 B10R0.3 CC(=O)OCSC(C)CCO 62a_100000076356_100009893172 [0,2,0,0,0,0|1,0,1]=4 2835 B10R0.3 CC(=O)OCSC(C)CCO 62a_100009893172_100000076356 [0,2,0,0,0,0|1,0,1]=4 2836 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,2,0,0,0,0|1,0,1]=4 2837 B10R0.3 CC=CC(=O)CCNC(=O)C 1458a_100000210699_100000189650 [0,2,0,0,0,0|1,0,1]=4 2838 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,2,0,0,0,0|0,0,1]=3 2839 B10R0.3 CC=CC(=O)CCOC(=O)N 1458a_100000210699_200011214921 [0,2,0,0,0,0|1,0,1]=4 2840 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,2,0,0,0,0|0,0,2]=4 2841 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,2,0,0,0,0|0,0,2]=4 2842 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [0,2,0,0,0,0|0,0,2]=4 2843 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [0,2,0,0,0,0|0,0,2]=4 2844 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [0,2,0,0,0,0|0,0,2]=4 2845 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [0,2,0,0,0,0|0,0,2]=4 2846 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,2,0,0,0,0|1,0,1]=4 2847 B10R0.3 COCC(C)SCOC(=O)C 62a_100000076356_100000765312 [0,2,0,0,0,0|1,0,1]=4 2848 B10R0.3 COCC(C)SCOC(=O)C 62a_100000765312_100000076356 [0,2,0,0,0,0|1,0,1]=4 2849 B10R0.3 COCC(O)COCC(=O)C 34a_100000211253_100011215053 [0,2,0,0,0,0|1,0,1]=4 2850 B10R0.3 COC[C@@H](C)OCOC(=O)C 34a_100011934205_100009813279 [0,2,0,0,0,0|1,0,1]=4 2851 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,2,0,0,0,0|1,0,1]=4 2852 B10R0.3 NC(=O)OCCC(=O)C=CBr 1458a_100016273825_200011214921 [0,2,0,0,0,0|1,0,1]=4 2853 B10R0.3 NC(=O)OCCC(=O)C=CCl 1458a_200016279998_200011214921 [0,2,0,0,0,0|1,0,1]=4 2854 B10R0.3 NC(=O)OCCC(=O)C=CI 1458a_100016256311_200011214921 [0,2,0,0,0,0|1,0,1]=4 2855 B10R0.44 C=CC(C)SC(C)OC(=O)C 62a_100011215867_100009818208 [0,2,0,0,0,0|1,0,0]=3 2856 B10R0.59 C=CC(=O)CCCC(=O)NC 1458a_100000185746_100000741757 [0,2,0,0,0,0|1,0,1]=4 2857 B10R0.59 C=CC(=O)CCCC(=O)OC 1458a_100000185746_100011218270 [0,2,0,0,0,0|1,0,1]=4 2858 B10R0.59 C=CC(=O)CCOC(=O)C=C 1458a_100000185746_100009813456 [0,2,0,0,0,0|0,0,2]=4 2859 B10R0.59 C=CC(=O)CCOC(=O)NC 1458a_100000185746_200011997002 [0,2,0,0,0,0|0,0,1]=3 2860 B10R0.59 C=CC(C)COCC(=O)CC 7a_100011215527_100000747405 [0,2,0,0,0,0|2,0,0]=4 2861 B10R0.59 C=CC(C)COCC(=O)NC 34a_100011215527_100000183359 [0,2,0,0,0,0|2,0,0]=4 2862 B10R0.59 C=CC(C)COCC(=O)NC 7a_100011215527_100000183359 [0,2,0,0,0,0|2,0,0]=4 2863 B10R0.59 C=CC(C)COCC(=O)OC 34a_100011215527_100000747449 [0,2,0,0,0,0|2,0,0]=4 2864 B10R0.59 C=CC(C)COCC(=O)OC 7a_100011215527_100000747449 [0,2,0,0,0,0|2,0,0]=4 2865 B10R0.59 C=CC(C)OCCC(=O)NC 34a_100000695699_100012179268 [0,2,0,0,0,0|2,0,0]=4 2866 B10R0.59 C=CC(C)OCCC(=O)OC 34a_100000695699_100000742370 [0,2,0,0,0,0|2,0,0]=4 2867 B10R0.59 C=CC(C)SCCC(=O)NC 62a_100011215867_100000737683 [0,2,0,0,0,0|2,0,0]=4 2868 B10R0.59 C=CC(C)SCCC(=O)OC 62a_100011215867_100000204255 [0,2,0,0,0,0|2,0,0]=4 2869 B10R0.59 C=CC(C)SCOC(=O)OC 62a_100011215867_100000139417 [0,2,0,0,0,0|1,0,0]=3 2870 B10R0.59 C=CC(O)CNCC(=O)NC 2230a_100000693194_100000730141 [0,2,0,0,0,0|2,0,0]=4 2871 B10R0.59 C=CC(O)COCC(=O)CC 34a_100000725409_100000730141 [0,2,0,0,0,0|2,0,0]=4 2872 B10R0.59 C=CC(O)COCC(=O)NC 34a_100000750040_100000730141 [0,2,0,0,0,0|2,0,0]=4 2873 B10R0.59 C=CC(O)CSCC(=O)CC 62a_100000730141_100000747405 [0,2,0,0,0,0|2,0,0]=4 2874 B10R0.59 C=CC(O)CSCC(=O)CC 62a_100000747405_100000730141 [0,2,0,0,0,0|2,0,0]=4 2875 B10R0.59 C=CC(O)CSCC(=O)NC 62a_100000183359_100000730141 [0,2,0,0,0,0|2,0,0]=4 2876 B10R0.59 C=CC(O)CSCC(=O)NC 62a_100000730141_100000183359 [0,2,0,0,0,0|2,0,0]=4 2877 B10R0.59 C=CC(O)CSCC(=O)OC 62a_100000730141_100000747449 [0,2,0,0,0,0|2,0,0]=4 2878 B10R0.59 C=CC(O)CSCC(=O)OC 62a_100000747449_100000730141 [0,2,0,0,0,0|2,0,0]=4 2879 B10R0.59 C=C[C@H](N)COCC(=O)NC 34a_100016989147_100000183359 [0,2,0,0,0,0|2,0,0]=4 2880 B10R0.59 C=C[C@H](N)COCC(=O)OC 34a_100016989147_100000747449 [0,2,0,0,0,0|2,0,0]=4 2881 B10R0.60 C=CC(=O)CCOS(=O)(=O)C 1458a_100000185746_200000036756 [0,2,0,0,0,0|1,0,1]=4 2882 B10R0.65 C=CC(C)(C)OCCC(=O)C 7a_100011215311_100000053229 [0,2,0,0,0,0|2,0,0]=4 2883 B10R0.65 C=CC(C)(C)OCOC(=O)C 34a_100011215311_100009813279 [0,2,0,0,0,0|1,0,0]=3 2884 B10R0.65 C=CC(F)(F)SCCC(=O)C 62a_100000053229_100009814244 [0,2,0,0,0,0|2,0,0]=4 2885 B10R0.65 C=CC(F)(F)SCCC(=O)C 62a_100009814244_100000053229 [0,2,0,0,0,0|2,0,0]=4 2886 B10R0.65 C=CC(F)(F)SCOC(=O)C 62a_100000076356_100009814244 [0,2,0,0,0,0|1,0,0]=3 2887 B10R0.65 C=CC(F)(F)SCOC(=O)C 62a_100009814244_100000076356 [0,2,0,0,0,0|1,0,0]=3 2888 B10R0.77 C=CC(C=C)OCOC(=O)C 34a_100000033096_100009813279 [0,2,0,0,0,0|1,0,0]=3 2889 B10R0.77 C=CC(CC)OCCC(=O)C 7a_100000766422_100000053229 [0,2,0,0,0,0|2,0,0]=4 2890 B10R0.77 C=CC(CC)OCOC(=O)C 34a_100000766422_100009813279 [0,2,0,0,0,0|1,0,0]=3 2891 B10R0.77 C=C[C@@H](CO)NCOC(=O)C 34a_100016989147_100009813279 [0,2,0,0,0,0|1,0,0]=3 2892 B10R0.77 CC(=O)OCSC(C=O)C=O 62a_100000076356_100000736813 [0,2,0,0,0,0|2,0,0]=4 2893 B10R0.77 CC(=O)OCSC(C=O)C=O 62a_100000736813_100000076356 [0,2,0,0,0,0|2,0,0]=4 2894 B10R0.82 C=CC(C)COC(C)C(=O)C 7a_100011215527_100000179758 [0,2,0,0,0,0|2,0,0]=4 2895 B10R0.82 C=CC(C)OCC(=O)C(=O)C 34a_100000695699_100011261029 [0,2,0,0,0,0|2,0,0]=4 2896 B10R0.82 C=CC(C)SCC(=O)C(=O)C 62a_100011215867_100011261029 [0,2,0,0,0,0|2,0,0]=4 2897 B10R0.82 C=CC(O)COC(C)C(=O)C 34a_100000212229_100000730141 [0,2,0,0,0,0|2,0,0]=4 2898 B10R0.82 C=CC(O)CSC(C)C(=O)C 62a_100000730141_100009814033 [0,2,0,0,0,0|2,0,0]=4 2899 B10R0.82 C=CC(O)CSC(C)C(=O)C 62a_100009814033_100000730141 [0,2,0,0,0,0|2,0,0]=4 2900 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [0,2,0,0,0,0|1,0,1]=4 2901 B10R0.98 C=C(C)C(=O)CCNC(=O)C 1458a_100000185857_100000189650 [0,2,0,0,0,0|1,0,1]=4 2902 B10R0.98 C=C(C)C(=O)CCOC(=O)C 1458a_100000185857_100009814007 [0,2,0,0,0,0|0,0,1]=3 2903 B10R0.98 C=C(C)C(=O)CCOC(=O)N 1458a_100000185857_200011214921 [0,2,0,0,0,0|1,0,1]=4 2904 B10R0.98 C=C(C)CCOC(C)C(=O)C 34a_100000212229_100000730704 [0,2,0,0,0,0|2,0,0]=4 2905 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100000730704_100009814033 [0,2,0,0,0,0|2,0,0]=4 2906 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100009814033_100000730704 [0,2,0,0,0,0|2,0,0]=4 2907 B10R0.98 C=C(C)COCC(=O)C(=O)C 34a_100000210245_100011261029 [0,2,0,0,0,0|2,0,0]=4 2908 B10R0.98 C=C(C)COCC(C)C(=O)C 34a_100000032740_100000748629 [0,2,0,0,0,0|2,0,0]=4 2909 B10R0.98 C=C(C)COCC(C)C(=O)C 7a_100000032740_100000748629 [0,2,0,0,0,0|2,0,0]=4 2910 B10R0.98 C=C(C)CSCC(=O)C(=O)C 62a_100000748629_100011261029 [0,2,0,0,0,0|2,0,0]=4 2911 B10R0.98 C=C(C)CSCC(=O)C(=O)C 62a_100011261029_100000211660 [0,2,0,0,0,0|2,0,0]=4 2912 B10R0.98 C=C(F)COCC(=O)C(=O)C 34a_200010262243_100011261029 [0,2,0,0,0,0|2,0,0]=4 2913 B10R0.98 C=C(F)COCC(C)C(=O)C 34a_100000032740_100009893438 [0,2,0,0,0,0|2,0,0]=4 2914 B10R0.98 C=C(F)COCC(C)C(=O)C 7a_100000032740_100000042424 [0,2,0,0,0,0|2,0,0]=4 2915 B10R0.98 C=C(F)CSCC(=O)C(=O)C 62a_100000042424_100011261029 [0,2,0,0,0,0|2,0,0]=4 2916 B10R0.98 C=C(F)CSCC(=O)C(=O)C 62a_100011261029_100000042424 [0,2,0,0,0,0|2,0,0]=4 2917 B10R0.98 CC(=O)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000076356 [0,2,0,0,0,0|2,0,0]=4 2918 B10R0.98 CC(=O)OCN[C@H](C)C(=O)N 34a_100000119354_100009813279 [0,2,0,0,0,0|2,0,0]=4 2919 B10R0.98 CC(=O)OCOC(C)C(=O)C 34a_100000212229_100009813279 [0,2,0,0,0,0|1,0,1]=4 2920 B10R0.98 CC(=O)OCO[C@H](C)C(=O)N 34a_100000731257_100009813279 [0,2,0,0,0,0|2,0,0]=4 2921 B10R0.98 CC(=O)OCSC(C)C(=O)C 62a_100000076356_100009814033 [0,2,0,0,0,0|1,0,1]=4 2922 B10R0.98 CC(=O)OCSC(C)C(=O)C 62a_100009814033_100000076356 [0,2,0,0,0,0|1,0,1]=4 2923 B10R0.98 CC(=O)OCSC(C)C(=O)N 62a_100000076356_100000702099 [0,2,0,0,0,0|2,0,0]=4 2924 B10R0.98 CC(=O)OCSC(C)C(=O)N 62a_100000702099_100000076356 [0,2,0,0,0,0|2,0,0]=4 2925 B10R0.98 CC(=O)OCSC(F)C(=O)N 62a_100000076356_100009813875 [0,2,0,0,0,0|2,0,0]=4 2926 B10R0.98 CC(=O)OCSC(F)C(=O)N 62a_100009813875_100000076356 [0,2,0,0,0,0|2,0,0]=4 2927 B10R0.98 CC(=O)OCSC(F)C(=O)[O-] 62a_100000076356_100020610796 [0,2,0,0,0,0|2,0,0]=4 2928 B10R0.98 CC(=O)OCSC(F)C(=O)[O-] 62a_100020610796_100000076356 [0,2,0,0,0,0|2,0,0]=4 2929 B10R0.4 C#CCCCCOCC(=O)C 34a_100000211253_100010269958 [0,2,0,0,0,0|0,0,2]=4 2930 B10R0.4 C#CCCCNCOC(=O)C 34a_100000718082_100009813279 [0,2,0,0,0,0|0,0,2]=4 2931 B10R0.4 C#CCCCOCCC(=O)C 34a_100000759926_100000695029 [0,2,0,0,0,0|0,0,2]=4 2932 B10R0.4 C#CCCCOCCC(=O)C 7a_100000215630_100000053229 [0,2,0,0,0,0|0,0,2]=4 2933 B10R0.4 C#CCCCOCCC(=O)C 7a_100000759926_100011215417 [0,2,0,0,0,0|0,0,2]=4 2934 B10R0.4 C#CCCCOCOC(=O)C 34a_100000215630_100009813279 [0,2,0,0,0,0|0,0,2]=4 2935 B10R0.4 C#CCCCSCOC(=O)C 62a_100000076356_100011215417 [0,2,0,0,0,0|0,0,2]=4 2936 B10R0.4 C#CCCCSCOC(=O)C 62a_100011215417_100000076356 [0,2,0,0,0,0|0,0,2]=4 2937 B10R0.4 C#CCCNCCOC(=O)C 34a_100000755551_100009814007 [0,2,0,0,0,0|0,0,2]=4 2938 B10R0.4 C#CCCOCCOC(=O)C 34a_100011215631_100009814007 [0,2,0,0,0,0|0,0,2]=4 2939 B10R0.4 C#CCCSCCOC(=O)C 62a_100000688953_100009814007 [0,2,0,0,0,0|0,0,2]=4 2940 B10R0.4 C#CCCSCCOC(=O)C 62a_100009814007_100000688953 [0,2,0,0,0,0|0,0,2]=4 2941 B10R0.4 C#CCNCCCOC(=O)C 34a_100000212058_100000042594 [0,2,0,0,0,0|0,0,2]=4 2942 B10R0.4 C#CCOCCCOC(=O)C 34a_100000210247_100000042594 [0,2,0,0,0,0|0,0,2]=4 2943 B10R0.4 C#CCOCCOCC(=O)C 34a_100000211253_100010402529 [0,2,0,0,0,0|0,0,2]=4 2944 B10R0.4 C#CCSCCCOC(=O)C 62a_100000038162_100000042594 [0,2,0,0,0,0|0,0,2]=4 2945 B10R0.4 C/C=C/CCOCC=C(C)C 34a_100016278192_100000761012 [0,2,0,0,0,0|2,0,0]=4 2946 B10R0.4 C/C=C/CCOCCC(=O)N 34a_100016278192_100000731001 [0,2,0,0,0,0|2,0,0]=4 2947 B10R0.4 C/C=C/CCOCOC(=O)C 34a_100016278192_100009813279 [0,2,0,0,0,0|0,0,0]=2 2948 B10R0.4 C/C=C/CCOCOC(C)C 34a_100016278192_100000709892 [0,2,0,0,0,0|1,0,1]=4 2949 B10R0.4 C/C=C/CNCCCC(=O)N 34a_100000739312_100102629194 [0,2,0,0,0,0|2,0,0]=4 2950 B10R0.4 C/C=C/CNCCNC(=O)N 34a_100020590234_100102629194 [0,2,0,0,0,0|2,0,0]=4 2951 B10R0.4 C/C=C/CNCCOC(C)C 34a_100000701111_100102629194 [0,2,0,0,0,0|1,0,1]=4 2952 B10R0.4 C/C=C/COCCC=C(C)C 34a_100016270725_100011217483 [0,2,0,0,0,0|2,0,0]=4 2953 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [0,2,0,0,0,0|1,0,0]=3 2954 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [0,2,0,0,0,0|1,0,0]=3 2955 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [0,2,0,0,0,0|1,0,0]=3 2956 B10R0.4 C/C=C/COCCCC(=O)N 34a_100016270725_100102525003 [0,2,0,0,0,0|2,0,0]=4 2957 B10R0.4 C/C=C/COCCNC(=O)C 34a_100000158858_100102629194 [0,2,0,0,0,0|1,0,0]=3 2958 B10R0.4 C/C=C/COCCNC(=O)N 34a_100000181757_100102629194 [0,2,0,0,0,0|2,0,0]=4 2959 B10R0.4 C/C=C/COCCOC(=O)C 34a_100016270725_100009814007 [0,2,0,0,0,0|0,0,0]=2 2960 B10R0.4 C/C=C/COCCOC(=O)N 34a_100016270725_200011214921 [0,2,0,0,0,0|1,0,0]=3 2961 B10R0.4 C/C=C/COCCOC(=O)N 7a_100000766696_100102629194 [0,2,0,0,0,0|1,0,0]=3 2962 B10R0.4 C/C=C/COCCOC(C)C 34a_100000211219_100102629194 [0,2,0,0,0,0|1,0,1]=4 2963 B10R0.4 C/C=C/COCCOC(C)C 34a_100016270725_100000211751 [0,2,0,0,0,0|1,0,1]=4 2964 B10R0.4 C/C=C/COCCOC(C)C 7a_100000211219_100102629194 [0,2,0,0,0,0|1,0,1]=4 2965 B10R0.4 C/C=C/CSCCC=C(C)C 62a_100011217483_100102629194 [0,2,0,0,0,0|2,0,0]=4 2966 B10R0.4 C/C=C/CSCCC=C(C)C 62a_100102629194_100011217483 [0,2,0,0,0,0|2,0,0]=4 2967 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [0,2,0,0,0,0|1,0,0]=3 2968 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [0,2,0,0,0,0|1,0,0]=3 2969 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102525003_100102629194 [0,2,0,0,0,0|2,0,0]=4 2970 B10R0.4 C/C=C/CSCCCC(=O)N 62a_100102629194_100102525003 [0,2,0,0,0,0|2,0,0]=4 2971 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100000189650_100102629194 [0,2,0,0,0,0|1,0,0]=3 2972 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100102629194_100000189650 [0,2,0,0,0,0|1,0,0]=3 2973 B10R0.4 C/C=C/CSCCNC(=O)N 62a_100102629194_200000034859 [0,2,0,0,0,0|2,0,0]=4 2974 B10R0.4 C/C=C/CSCCNC(=O)N 62a_200000034859_100102629194 [0,2,0,0,0,0|2,0,0]=4 2975 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100009814007_100102629194 [0,2,0,0,0,0|0,0,0]=2 2976 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100102629194_100009814007 [0,2,0,0,0,0|0,0,0]=2 2977 B10R0.4 C/C=C/CSCCOC(=O)N 62a_100102629194_200011214921 [0,2,0,0,0,0|1,0,0]=3 2978 B10R0.4 C/C=C/CSCCOC(=O)N 62a_200011214921_100102629194 [0,2,0,0,0,0|1,0,0]=3 2979 B10R0.4 C/C=C/CSCCOC(C)C 62a_100000211751_100102629194 [0,2,0,0,0,0|1,0,1]=4 2980 B10R0.4 C/C=C/CSCCOC(C)C 62a_100102629194_100000211751 [0,2,0,0,0,0|1,0,1]=4 2981 B10R0.4 C=C(C)CCOCC/C=C/C 34a_100016278192_100000730704 [0,2,0,0,0,0|2,0,0]=4 2982 B10R0.4 C=C(C)COCCCC=CC 34a_100020645299_100000748629 [0,2,0,0,0,0|1,0,0]=3 2983 B10R0.4 C=C(F)COCCCC=CC 34a_100020645299_100009893438 [0,2,0,0,0,0|1,0,1]=4 2984 B10R0.4 C=CCCCCCCC(=O)C 1458a_100000070787_100011215473 [0,2,0,0,0,0|1,0,0]=3 2985 B10R0.4 C=CCCCCCCC(=O)C 1458a_100011809334_200000210301 [0,2,0,0,0,0|1,0,0]=3 2986 B10R0.4 C=CCCCCCCC(=O)[13CH3] 1458a_100011809334_200025704644 [0,2,0,0,0,0|1,0,0]=3 2987 B10R0.4 C=CCCCCCOC(C)C 34a_100000212225_100000700193 [0,2,0,0,0,0|1,0,1]=4 2988 B10R0.4 C=CCCCCCOC(C)C 34a_100011216702_100000210206 [0,2,0,0,0,0|1,0,1]=4 2989 B10R0.4 C=CCCCCCOC(C)C 7a_100011216702_100000210206 [0,2,0,0,0,0|1,0,1]=4 2990 B10R0.4 C=CCCCCNCC(=C)C 2230a_100000703577_100000748629 [0,2,0,0,0,0|2,0,0]=4 2991 B10R0.4 C=CCCCCNCC(=C)C 34a_100000703577_100000748629 [0,2,0,0,0,0|2,0,0]=4 2992 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000703577_100000747473 [0,2,0,0,0,0|2,0,0]=4 2993 B10R0.4 C=CCCCCNCC(=O)N 2230a_100000711301_100011215482 [0,2,0,0,0,0|2,0,0]=4 2994 B10R0.4 C=CCCCCNCC(=O)N 34a_100000703577_100000187820 [0,2,0,0,0,0|2,0,0]=4 2995 B10R0.4 C=CCCCCNCC(=O)O 269956a_100016091260_100011215482 [0,2,0,0,0,0|2,0,0]=4 2996 B10R0.4 C=CCCCCNCC(=O)[O-] 34a_100000703577_100020667443 [0,2,0,0,0,0|2,0,0]=4 2997 B10R0.4 C=CCCCCOCC(=C)C 34a_100000210245_100011215482 [0,2,0,0,0,0|1,0,0]=3 2998 B10R0.4 C=CCCCCOCC(=C)C 34a_100000766645_100000748629 [0,2,0,0,0,0|1,0,0]=3 2999 B10R0.4 C=CCCCCOCC(=C)C 7a_100000766645_100000748629 [0,2,0,0,0,0|1,0,0]=3 3000 B10R0.4 C=CCCCCOCC(=C)F 34a_100000766645_100009893438 [0,2,0,0,0,0|1,0,1]=4 3001 B10R0.4 C=CCCCCOCC(=C)F 34a_200010262243_100011215482 [0,2,0,0,0,0|1,0,1]=4 3002 B10R0.4 C=CCCCCOCC(=C)F 7a_100000766645_100000042424 [0,2,0,0,0,0|1,0,1]=4 3003 B10R0.4 C=CCCCCOCC(=O)C 34a_100000211253_100011215482 [0,2,0,0,0,0|0,0,0]=2 3004 B10R0.4 C=CCCCCOCC(=O)N 34a_100000766645_100000187820 [0,2,0,0,0,0|1,0,0]=3 3005 B10R0.4 C=CCCCCOCC(=O)N 7a_100000766645_100000187820 [0,2,0,0,0,0|1,0,0]=3 3006 B10R0.4 C=CCCCCOCC(=O)[O-] 34a_100000766645_100020667443 [0,2,0,0,0,0|1,0,0]=3 3007 B10R0.4 C=CCCCCOCC(C)Br 34a_100012180447_100011215482 [0,2,0,0,0,0|1,0,1]=4 3008 B10R0.4 C=CCCCCOCC(C)C 34a_100000210257_100011215482 [0,2,0,0,0,0|1,0,1]=4 3009 B10R0.4 C=CCCCCOCC(C)C 34a_100000766645_100000210624 [0,2,0,0,0,0|1,0,1]=4 3010 B10R0.4 C=CCCCCOCC(C)C 7a_100000766645_100000210760 [0,2,0,0,0,0|1,0,1]=4 3011 B10R0.4 C=CCCCCOCC(C)F 34a_100015925927_100011215482 [0,2,0,0,0,0|1,0,1]=4 3012 B10R0.4 C=CCCCCOCC(C)O 34a_100000766645_100011218427 [0,2,0,0,0,0|0,0,2]=4 3013 B10R0.4 C=CCCCCOCC(C)O 7a_100000766645_100011218427 [0,2,0,0,0,0|0,0,2]=4 3014 B10R0.4 C=CCCCCOC[C@@H](C)Cl 34a_100016084084_100011215482 [0,2,0,0,0,0|1,0,1]=4 3015 B10R0.4 C=CCCCCOC[C@@H](C)N 34a_100000737577_100011215482 [0,2,0,0,0,0|1,0,1]=4 3016 B10R0.4 C=CCCCCOC[C@@H](C)O 34a_100000766645_100009817552 [0,2,0,0,0,0|0,0,2]=4 3017 B10R0.4 C=CCCCCOC[C@@H](C)O 7a_100000766645_100009817552 [0,2,0,0,0,0|0,0,2]=4 3018 B10R0.4 C=CCCCCOC[N+](=O)[O-] 34a_100000766645_100000761209 [0,2,0,0,0,0|2,0,0]=4 3019 B10R0.4 C=CCCCCSCC(=C)C 62a_100000748629_100011215482 [0,2,0,0,0,0|1,1,0]=4 3020 B10R0.4 C=CCCCCSCC(=C)C 62a_100011215482_100000211660 [0,2,0,0,0,0|1,1,0]=4 3021 B10R0.4 C=CCCCCSCC(=O)N 62a_100000747473_100011215482 [0,2,0,0,0,0|1,1,0]=4 3022 B10R0.4 C=CCCCCSCC(=O)N 62a_100011215482_100000747473 [0,2,0,0,0,0|1,1,0]=4 3023 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100011215482_100020667443 [0,2,0,0,0,0|1,1,0]=4 3024 B10R0.4 C=CCCCCSCC(=O)[O-] 62a_100020667443_100011215482 [0,2,0,0,0,0|1,1,0]=4 3025 B10R0.4 C=CCCCNCC=C(C)C 2230a_100000700776_100000761012 [0,2,0,0,0,0|2,0,0]=4 3026 B10R0.4 C=CCCCNCC=C(C)C 34a_100000700776_100000761012 [0,2,0,0,0,0|2,0,0]=4 3027 B10R0.4 C=CCCCNCC=C(C)C 34a_100000718196_100000757094 [0,2,0,0,0,0|2,0,0]=4 3028 B10R0.4 C=CCCCNCCC(=C)C 2230a_100000700776_100000730704 [0,2,0,0,0,0|2,0,0]=4 3029 B10R0.4 C=CCCCNCCC(=C)C 34a_100000700776_100000730704 [0,2,0,0,0,0|2,0,0]=4 3030 B10R0.4 C=CCCCNCCC(=O)N 2230a_100000700776_100000744528 [0,2,0,0,0,0|2,0,0]=4 3031 B10R0.4 C=CCCCNCCC(=O)N 34a_100000700776_100000731001 [0,2,0,0,0,0|2,0,0]=4 3032 B10R0.4 C=CCCCNCOC(=O)C 34a_100000700776_100009813279 [0,2,0,0,0,0|0,0,0]=2 3033 B10R0.4 C=CCCCNCOC(C)C 2230a_100000700776_100000709892 [0,2,0,0,0,0|1,0,1]=4 3034 B10R0.4 C=CCCCNCOC(C)C 34a_100000700776_100000709892 [0,2,0,0,0,0|1,0,1]=4 3035 B10R0.4 C=CCCCNOCC(=O)O 269956a_100000106656_100011713584 [0,2,0,0,0,0|1,0,0]=3 3036 B10R0.4 C=CCCCOCC=C(C)C 34a_100000753907_100000757094 [0,2,0,0,0,0|1,0,0]=3 3037 B10R0.4 C=CCCCOCC=C(C)C 34a_100000758997_100000761012 [0,2,0,0,0,0|1,0,0]=3 3038 B10R0.4 C=CCCCOCC=C(C)C 7a_100000758997_100000761012 [0,2,0,0,0,0|1,0,0]=3 3039 B10R0.4 C=CCCCOCCC(=C)Br 34a_100009813270_100000757094 [0,2,0,0,0,0|1,0,1]=4 3040 B10R0.4 C=CCCCOCCC(=C)C 34a_100000758997_100000730704 [0,2,0,0,0,0|1,0,0]=3 3041 B10R0.4 C=CCCCOCCC(=C)C 34a_100000764851_100000757094 [0,2,0,0,0,0|1,0,0]=3 3042 B10R0.4 C=CCCCOCCC(=C)C 7a_100000758997_100000730704 [0,2,0,0,0,0|1,0,0]=3 3043 B10R0.4 C=CCCCOCCC(=O)C 34a_100000759926_100000757094 [0,2,0,0,0,0|0,0,0]=2 3044 B10R0.4 C=CCCCOCCC(=O)C 7a_100000758997_100000053229 [0,2,0,0,0,0|0,0,0]=2 3045 B10R0.4 C=CCCCOCCC(=O)C 7a_100000759926_100000757094 [0,2,0,0,0,0|0,0,0]=2 3046 B10R0.4 C=CCCCOCCC(=O)N 34a_100000757172_100000757094 [0,2,0,0,0,0|1,0,0]=3 3047 B10R0.4 C=CCCCOCCC(=O)N 34a_100000758997_100000731001 [0,2,0,0,0,0|1,0,0]=3 3048 B10R0.4 C=CCCCOCCC(=O)N 7a_100000757172_100000757094 [0,2,0,0,0,0|1,0,0]=3 3049 B10R0.4 C=CCCCOCCC(=O)N 7a_100000758997_100000744528 [0,2,0,0,0,0|1,0,0]=3 3050 B10R0.4 C=CCCCOCCC(C)Br 34a_100009893172_100000757094 [0,2,0,0,0,0|1,0,1]=4 3051 B10R0.4 C=CCCCOCCC(C)C 34a_100000210254_100000757094 [0,2,0,0,0,0|1,0,1]=4 3052 B10R0.4 C=CCCCOCCC(C)C 34a_100000758997_100000210312 [0,2,0,0,0,0|1,0,1]=4 3053 B10R0.4 C=CCCCOCCC(C)C 7a_100000210254_100000757094 [0,2,0,0,0,0|1,0,1]=4 3054 B10R0.4 C=CCCCOCCC(C)C 7a_100000758997_100000210626 [0,2,0,0,0,0|1,0,1]=4 3055 B10R0.4 C=CCCCOCCC(C)O 34a_100000758997_100012276601 [0,2,0,0,0,0|0,0,2]=4 3056 B10R0.4 C=CCCCOCCC(C)O 7a_100000758997_100012276601 [0,2,0,0,0,0|0,0,2]=4 3057 B10R0.4 C=CCCCOCCN(C)C 7a_100000758997_100000755713 [0,2,0,0,0,0|2,0,0]=4 3058 B10R0.4 C=CCCCOCC[C@@H](C)N 34a_100000706166_100000757094 [0,2,0,0,0,0|1,0,1]=4 3059 B10R0.4 C=CCCCOCOC(=O)C 34a_100000758997_100009813279 [0,2,0,0,0,0|0,0,0]=2 3060 B10R0.4 C=CCCCOCOC(C)C 34a_100000758997_100000709892 [0,2,0,0,0,0|1,0,1]=4 3061 B10R0.4 C=CCCCSCC=C(C)C 62a_100000761012_100000757094 [0,2,0,0,0,0|1,1,0]=4 3062 B10R0.4 C=CCCCSCC=C(C)C 62a_100011713584_100000761012 [0,2,0,0,0,0|1,1,0]=4 3063 B10R0.4 C=CCCCSCCC(=C)C 62a_100000730704_100000757094 [0,2,0,0,0,0|1,1,0]=4 3064 B10R0.4 C=CCCCSCCC(=C)C 62a_100011713584_100000730704 [0,2,0,0,0,0|1,1,0]=4 3065 B10R0.4 C=CCCCSCCC(=O)C 62a_100000053229_100000757094 [0,2,0,0,0,0|0,1,0]=3 3066 B10R0.4 C=CCCCSCCC(=O)C 62a_100011713584_100000053229 [0,2,0,0,0,0|0,1,0]=3 3067 B10R0.4 C=CCCCSCCC(=O)N 62a_100000744528_100000757094 [0,2,0,0,0,0|1,1,0]=4 3068 B10R0.4 C=CCCCSCCC(=O)N 62a_100011713584_100000744528 [0,2,0,0,0,0|1,1,0]=4 3069 B10R0.4 C=CCCCSCOC(=O)C 62a_100000076356_100000757094 [0,2,0,0,0,0|0,0,0]=2 3070 B10R0.4 C=CCCCSCOC(=O)C 62a_100011713584_100000076356 [0,2,0,0,0,0|0,0,0]=2 3071 B10R0.4 C=CCCCSCOC(C)C 62a_100000709892_100000757094 [0,2,0,0,0,0|1,0,1]=4 3072 B10R0.4 C=CCCCSCOC(C)C 62a_100011713584_100000709892 [0,2,0,0,0,0|1,0,1]=4 3073 B10R0.4 C=CCCNCCC=C(C)C 2230a_100015191253_100011217483 [0,2,0,0,0,0|2,0,0]=4 3074 B10R0.4 C=CCCNCCCC(=O)N 34a_100000739312_100000754431 [0,2,0,0,0,0|2,0,0]=4 3075 B10R0.4 C=CCCNCCCS(=O)C 2230a_200000753449_100000754431 [0,2,0,0,0,0|2,0,0]=4 3076 B10R0.4 C=CCCNCCNC(=O)C 2230a_100000209853_100000754431 [0,2,0,0,0,0|1,0,0]=3 3077 B10R0.4 C=CCCNCCNC(=O)C 2230a_100015191253_100000189650 [0,2,0,0,0,0|1,0,0]=3 3078 B10R0.4 C=CCCNCCNC(=O)N 2230a_100015191253_200000034859 [0,2,0,0,0,0|2,0,0]=4 3079 B10R0.4 C=CCCNCCNC(=O)N 34a_100020590234_100000754431 [0,2,0,0,0,0|2,0,0]=4 3080 B10R0.4 C=CCCNCCOC(C)C 2230a_100000701111_100000754431 [0,2,0,0,0,0|1,0,1]=4 3081 B10R0.4 C=CCCNCCOC(C)C 2230a_100015191253_100000211751 [0,2,0,0,0,0|1,0,1]=4 3082 B10R0.4 C=CCCNCCOC(C)C 34a_100000701111_100000754431 [0,2,0,0,0,0|1,0,1]=4 3083 B10R0.4 C=CCCOCCC=C(C)C 34a_100011205117_100011217483 [0,2,0,0,0,0|2,0,0]=4 3084 B10R0.4 C=CCCOCCCC(=O)C 34a_100000759063_100000754431 [0,2,0,0,0,0|1,0,0]=3 3085 B10R0.4 C=CCCOCCCC(=O)C 34a_100011205117_100000685027 [0,2,0,0,0,0|1,0,0]=3 3086 B10R0.4 C=CCCOCCCC(=O)C 7a_100000759063_100000754431 [0,2,0,0,0,0|1,0,0]=3 3087 B10R0.4 C=CCCOCCCC(=O)N 34a_100011205117_100102525003 [0,2,0,0,0,0|2,0,0]=4 3088 B10R0.4 C=CCCOCCNC(=O)C 34a_100000158858_100000754431 [0,2,0,0,0,0|1,0,0]=3 3089 B10R0.4 C=CCCOCCNC(=O)N 34a_100000181757_100000754431 [0,2,0,0,0,0|2,0,0]=4 3090 B10R0.4 C=CCCOCCOC(=O)C 34a_100011205117_100009814007 [0,2,0,0,0,0|0,0,0]=2 3091 B10R0.4 C=CCCOCCOC(=O)N 34a_100011205117_200011214921 [0,2,0,0,0,0|1,0,0]=3 3092 B10R0.4 C=CCCOCCOC(=O)N 7a_100000766696_100000754431 [0,2,0,0,0,0|1,0,0]=3 3093 B10R0.4 C=CCCOCCOC(C)C 34a_100000211219_100000754431 [0,2,0,0,0,0|1,0,1]=4 3094 B10R0.4 C=CCCOCCOC(C)C 34a_100011205117_100000211751 [0,2,0,0,0,0|1,0,1]=4 3095 B10R0.4 C=CCCOCCOC(C)C 7a_100000211219_100000754431 [0,2,0,0,0,0|1,0,1]=4 3096 B10R0.4 C=CCCSCCC=C(C)C 62a_100000754431_100011217483 [0,2,0,0,0,0|2,0,0]=4 3097 B10R0.4 C=CCCSCCC=C(C)C 62a_100011217483_100000754431 [0,2,0,0,0,0|2,0,0]=4 3098 B10R0.4 C=CCCSCCCC(=O)C 62a_100000754431_100011215641 [0,2,0,0,0,0|1,0,0]=3 3099 B10R0.4 C=CCCSCCCC(=O)C 62a_100011215641_100000754431 [0,2,0,0,0,0|1,0,0]=3 3100 B10R0.4 C=CCCSCCCC(=O)N 62a_100000754431_100102525003 [0,2,0,0,0,0|2,0,0]=4 3101 B10R0.4 C=CCCSCCCC(=O)N 62a_100102525003_100000754431 [0,2,0,0,0,0|2,0,0]=4 3102 B10R0.4 C=CCCSCCNC(=O)C 62a_100000189650_100000754431 [0,2,0,0,0,0|1,0,0]=3 3103 B10R0.4 C=CCCSCCNC(=O)C 62a_100000754431_100000189650 [0,2,0,0,0,0|1,0,0]=3 3104 B10R0.4 C=CCCSCCNC(=O)N 62a_100000754431_200000034859 [0,2,0,0,0,0|2,0,0]=4 3105 B10R0.4 C=CCCSCCNC(=O)N 62a_200000034859_100000754431 [0,2,0,0,0,0|2,0,0]=4 3106 B10R0.4 C=CCCSCCOC(=O)C 62a_100000754431_100009814007 [0,2,0,0,0,0|0,0,0]=2 3107 B10R0.4 C=CCCSCCOC(=O)C 62a_100009814007_100000754431 [0,2,0,0,0,0|0,0,0]=2 3108 B10R0.4 C=CCCSCCOC(=O)N 62a_100000754431_200011214921 [0,2,0,0,0,0|1,0,0]=3 3109 B10R0.4 C=CCCSCCOC(=O)N 62a_200011214921_100000754431 [0,2,0,0,0,0|1,0,0]=3 3110 B10R0.4 C=CCCSCCOC(C)C 62a_100000211751_100000754431 [0,2,0,0,0,0|1,0,1]=4 3111 B10R0.4 C=CCCSCCOC(C)C 62a_100000754431_100000211751 [0,2,0,0,0,0|1,0,1]=4 3112 B10R0.4 C=CCNCCCCC(=O)N 34a_100000696515_100015514636 [0,2,0,0,0,0|2,0,0]=4 3113 B10R0.4 C=CCNCCCNC(=O)C 34a_100000736810_100015514636 [0,2,0,0,0,0|1,0,0]=3 3114 B10R0.4 C=CCNCCCOC(=S)C 2230a_100020586998_200135323944 [0,2,0,0,0,0|0,1,0]=3 3115 B10R0.4 C=CCNCCCOC(C)C 2230a_100000737246_100000210623 [0,2,0,0,0,0|1,0,1]=4 3116 B10R0.4 C=CCNCCCOC(C)C 34a_100000737246_100015514636 [0,2,0,0,0,0|1,0,1]=4 3117 B10R0.4 C=CCNCCCSC(=O)C 2230a_100020586998_100000038929 [0,2,0,0,0,0|0,1,0]=3 3118 B10R0.4 C=CCNCCOCC(=O)N 2230a_100020586998_100000076697 [0,2,0,0,0,0|1,0,0]=3 3119 B10R0.4 C=CCNCCOCC(=O)O 269956a_100000700818_100000210623 [0,2,0,0,0,0|1,0,0]=3 3120 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [0,2,0,0,0,0|1,0,0]=3 3121 B10R0.4 C=CCOCCCCC(=O)N 34a_100012022536_100015514636 [0,2,0,0,0,0|2,0,0]=4 3122 B10R0.4 C=CCOCCCCC(=O)N 7a_100012022536_100015514636 [0,2,0,0,0,0|2,0,0]=4 3123 B10R0.4 C=CCOCCCNC(=O)C 34a_100000752032_100015514636 [0,2,0,0,0,0|1,0,0]=3 3124 B10R0.4 C=CCOCCCOC(=O)C 34a_200000210373_100000042594 [0,2,0,0,0,0|0,0,0]=2 3125 B10R0.4 C=CCOCCCOC(=S)C 34a_200000210373_200135323944 [0,2,0,0,0,0|0,1,0]=3 3126 B10R0.4 C=CCOCCCSC(=O)C 34a_200000210373_100000038929 [0,2,0,0,0,0|0,1,0]=3 3127 B10R0.4 C=CCOCCOCC(=C)C 34a_100000037705_100000748629 [0,2,0,0,0,0|1,0,0]=3 3128 B10R0.4 C=CCOCCOCC(=C)C 7a_100000037705_100000748629 [0,2,0,0,0,0|1,0,0]=3 3129 B10R0.4 C=CCOCCOCC(=C)F 34a_100000037705_100009893438 [0,2,0,0,0,0|1,0,1]=4 3130 B10R0.4 C=CCOCCOCC(=C)F 7a_100000037705_100000042424 [0,2,0,0,0,0|1,0,1]=4 3131 B10R0.4 C=CCOCCOCC(=O)N 34a_100000037705_100000187820 [0,2,0,0,0,0|1,0,0]=3 3132 B10R0.4 C=CCOCCOCC(=O)N 34a_200000210373_100000076697 [0,2,0,0,0,0|1,0,0]=3 3133 B10R0.4 C=CCOCCOCC(=O)N 7a_100000037705_100000187820 [0,2,0,0,0,0|1,0,0]=3 3134 B10R0.4 C=CCOCCOCC(=O)[O-] 34a_100000037705_100020667443 [0,2,0,0,0,0|1,0,0]=3 3135 B10R0.4 C=CCOCCOCC(C)C 34a_100000037705_100000210624 [0,2,0,0,0,0|1,0,1]=4 3136 B10R0.4 C=CCOCCOCC(C)C 34a_100000703358_100015514636 [0,2,0,0,0,0|1,0,1]=4 3137 B10R0.4 C=CCOCCOCC(C)C 7a_100000037705_100000210760 [0,2,0,0,0,0|1,0,1]=4 3138 B10R0.4 C=CCOCCOCC(C)C 7a_100000703358_100015514636 [0,2,0,0,0,0|1,0,1]=4 3139 B10R0.4 C=CCOCCOCC(C)O 34a_100000037705_100011218427 [0,2,0,0,0,0|0,0,2]=4 3140 B10R0.4 C=CCOCCOCC(C)O 7a_100000037705_100011218427 [0,2,0,0,0,0|0,0,2]=4 3141 B10R0.4 C=CCOCCOC[C@@H](C)O 34a_100000037705_100009817552 [0,2,0,0,0,0|0,0,2]=4 3142 B10R0.4 C=CCOCCOC[C@@H](C)O 7a_100000037705_100009817552 [0,2,0,0,0,0|0,0,2]=4 3143 B10R0.4 C=CCOCCOC[N+](=O)[O-] 34a_100000037705_100000761209 [0,2,0,0,0,0|2,0,0]=4 3144 B10R0.4 C=CCSCCCCC(=O)C 62a_100000210623_100000735457 [0,2,0,0,0,0|1,0,0]=3 3145 B10R0.4 C=CCSCCCCC(=O)C 62a_100000735457_100000210623 [0,2,0,0,0,0|1,0,0]=3 3146 B10R0.4 C=CCSCCCOC(=O)C 62a_100000042594_100000210623 [0,2,0,0,0,0|0,0,0]=2 3147 B10R0.4 C=CCSCCCOC(=O)C 62a_100000210623_100000042594 [0,2,0,0,0,0|0,0,0]=2 3148 B10R0.4 C=CCSCCCOC(=S)C 62a_100000210623_200135323944 [0,2,0,0,0,0|0,1,0]=3 3149 B10R0.4 C=CCSCCCOC(=S)C 62a_200135323944_100000210623 [0,2,0,0,0,0|0,1,0]=3 3150 B10R0.4 C=CCSCCCSC(=O)C 62a_100000038929_100000210623 [0,2,0,0,0,0|0,1,0]=3 3151 B10R0.4 C=CCSCCCSC(=O)C 62a_100000210623_100000038929 [0,2,0,0,0,0|0,1,0]=3 3152 B10R0.4 C=CCSCCOCC(=O)N 62a_100000076697_100000210623 [0,2,0,0,0,0|1,0,0]=3 3153 B10R0.4 C=CCSCCOCC(=O)N 62a_100000210623_100000076697 [0,2,0,0,0,0|1,0,0]=3 3154 B10R0.4 C=COCCCCOC(C)C 34a_100000031558_100000210206 [0,2,0,0,0,0|1,0,1]=4 3155 B10R0.4 C=COCCCCOC(C)C 7a_100000031558_100000210206 [0,2,0,0,0,0|1,0,1]=4 3156 B10R0.4 C=COCCCNCC(=C)C 2230a_100000210767_100000748629 [0,2,0,0,0,0|2,0,0]=4 3157 B10R0.4 C=COCCCNCC(=C)C 34a_100000210767_100000748629 [0,2,0,0,0,0|2,0,0]=4 3158 B10R0.4 C=COCCCNCC(=O)N 2230a_100000210767_100000747473 [0,2,0,0,0,0|2,0,0]=4 3159 B10R0.4 C=COCCCNCC(=O)N 34a_100000210767_100000187820 [0,2,0,0,0,0|2,0,0]=4 3160 B10R0.4 C=COCCCNCC(=O)[O-] 34a_100000210767_100020667443 [0,2,0,0,0,0|2,0,0]=4 3161 B10R0.4 C=COCCNCC=C(C)C 34a_100000718196_100000039644 [0,2,0,0,0,0|2,0,0]=4 3162 B10R0.4 C=COCCNOCC(=O)O 269956a_100000106656_100000039644 [0,2,0,0,0,0|2,0,0]=4 3163 B10R0.4 C=COCCOCC=C(C)C 34a_100000033082_100000761012 [0,2,0,0,0,0|2,0,0]=4 3164 B10R0.4 C=COCCOCC=C(C)C 34a_100000753907_100000039644 [0,2,0,0,0,0|2,0,0]=4 3165 B10R0.4 C=COCCOCCC(=C)C 34a_100000033082_100000730704 [0,2,0,0,0,0|2,0,0]=4 3166 B10R0.4 C=COCCOCCC(=C)C 34a_100000764851_100000039644 [0,2,0,0,0,0|2,0,0]=4 3167 B10R0.4 C=COCCOCCC(=O)C 34a_100000759926_100000039644 [0,2,0,0,0,0|1,0,0]=3 3168 B10R0.4 C=COCCOCCC(=O)C 7a_100000759926_100000039644 [0,2,0,0,0,0|1,0,0]=3 3169 B10R0.4 C=COCCOCCC(=O)N 34a_100000033082_100000731001 [0,2,0,0,0,0|2,0,0]=4 3170 B10R0.4 C=COCCOCCC(=O)N 34a_100000757172_100000039644 [0,2,0,0,0,0|2,0,0]=4 3171 B10R0.4 C=COCCOCCC(=O)N 7a_100000757172_100000039644 [0,2,0,0,0,0|2,0,0]=4 3172 B10R0.4 C=COCCOCOC(=O)C 34a_100000033082_100009813279 [0,2,0,0,0,0|0,0,0]=2 3173 B10R0.4 C=COCCOCOC(C)C 34a_100000033082_100000709892 [0,2,0,0,0,0|1,0,1]=4 3174 B10R0.4 C=COCCSCC=C(C)C 62a_100000039644_100000761012 [0,2,0,0,0,0|2,0,0]=4 3175 B10R0.4 C=COCCSCC=C(C)C 62a_100000761012_100000039644 [0,2,0,0,0,0|2,0,0]=4 3176 B10R0.4 C=COCCSCCC(=C)C 62a_100000039644_100000730704 [0,2,0,0,0,0|2,0,0]=4 3177 B10R0.4 C=COCCSCCC(=C)C 62a_100000730704_100000039644 [0,2,0,0,0,0|2,0,0]=4 3178 B10R0.4 C=COCCSCCC(=O)C 62a_100000039644_100000053229 [0,2,0,0,0,0|1,0,0]=3 3179 B10R0.4 C=COCCSCCC(=O)C 62a_100000053229_100000039644 [0,2,0,0,0,0|1,0,0]=3 3180 B10R0.4 C=COCCSCCC(=O)N 62a_100000039644_100000744528 [0,2,0,0,0,0|2,0,0]=4 3181 B10R0.4 C=COCCSCCC(=O)N 62a_100000744528_100000039644 [0,2,0,0,0,0|2,0,0]=4 3182 B10R0.4 C=COCCSCOC(=O)C 62a_100000039644_100000076356 [0,2,0,0,0,0|0,0,0]=2 3183 B10R0.4 C=COCCSCOC(=O)C 62a_100000076356_100000039644 [0,2,0,0,0,0|0,0,0]=2 3184 B10R0.4 C=COCCSCOC(C)C 62a_100000039644_100000709892 [0,2,0,0,0,0|1,0,1]=4 3185 B10R0.4 C=COCCSCOC(C)C 62a_100000709892_100000039644 [0,2,0,0,0,0|1,0,1]=4 3186 B10R0.4 CC#CCCOCOC(=O)C 34a_100000750427_100009813279 [0,2,0,0,0,0|0,0,2]=4 3187 B10R0.4 CC#CCNCCOC(=O)C 34a_100000685387_100009814007 [0,2,0,0,0,0|0,0,2]=4 3188 B10R0.4 CC#CCOCCOC(=O)C 34a_100000761923_100009814007 [0,2,0,0,0,0|0,0,2]=4 3189 B10R0.4 CC#CCSCCOC(=O)C 62a_100000748600_100009814007 [0,2,0,0,0,0|0,0,2]=4 3190 B10R0.4 CC#CCSCCOC(=O)C 62a_100009814007_100000748600 [0,2,0,0,0,0|0,0,2]=4 3191 B10R0.4 CC(=O)CCCCSCC=O 62a_100000735457_200015260668 [0,2,0,0,0,0|1,0,1]=4 3192 B10R0.4 CC(=O)CCCCSCC=O 62a_200015260668_100000735457 [0,2,0,0,0,0|1,0,1]=4 3193 B10R0.4 CC(=O)CCOCCCC#N 7a_100000759926_100000687738 [0,2,0,0,0,0|1,0,1]=4 3194 B10R0.4 CC(=O)CCOCCCC=O 7a_100000759926_200011292268 [0,2,0,0,0,0|1,0,0]=3 3195 B10R0.4 CC(=O)CCOCCCCCl 7a_100000210776_100000053229 [0,2,0,0,0,0|1,0,1]=4 3196 B10R0.4 CC(=O)CCOCCCCF 34a_100000759926_100000729493 [0,2,0,0,0,0|1,0,1]=4 3197 B10R0.4 CC(=O)CCOCCCCF 7a_100000759926_100000729493 [0,2,0,0,0,0|1,0,1]=4 3198 B10R0.4 CC(=O)CCOCCCCF 7a_100011995726_100000053229 [0,2,0,0,0,0|1,0,1]=4 3199 B10R0.4 CC(=O)CCOCCCCO 34a_100000759926_100011216708 [0,2,0,0,0,0|1,0,1]=4 3200 B10R0.4 CC(=O)CCOCCCCO 7a_100000759926_100000210776 [0,2,0,0,0,0|1,0,1]=4 3201 B10R0.4 CC(=O)CCSCCCC=O 62a_100000053229_200011292268 [0,2,0,0,0,0|1,0,1]=4 3202 B10R0.4 CC(=O)CCSCCCC=O 62a_200011292268_100000053229 [0,2,0,0,0,0|1,0,1]=4 3203 B10R0.4 CC(=O)COCCCCCF 34a_100000211253_100000729378 [0,2,0,0,0,0|0,0,2]=4 3204 B10R0.4 CC(=O)COCCCCCO 34a_100000211253_100000746330 [0,2,0,0,0,0|0,0,2]=4 3205 B10R0.4 CC(=O)COCCOCCO 1458a_106645077154_200000210301 [0,2,0,0,0,0|1,0,1]=4 3206 B10R0.4 CC(=O)COCCOCCO 34a_100000211253_100000692535 [0,2,0,0,0,0|1,0,1]=4 3207 B10R0.4 CC(=O)NCCCNCC=O 34a_100000736810_200009817547 [0,2,0,0,0,0|1,0,1]=4 3208 B10R0.4 CC(=O)NCCCOCC=O 34a_100000752032_200009817547 [0,2,0,0,0,0|1,0,1]=4 3209 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_100000033007_200025704644 [0,2,0,0,0,0|0,0,2]=4 3210 B10R0.4 CC(=O)OCCCCCS[13CH3] 62a_200025704644_100000033007 [0,2,0,0,0,0|0,0,2]=4 3211 B10R0.4 CC(=O)OCCCCOCF 34a_100000073216_100015361967 [0,2,0,0,0,0|0,0,2]=4 3212 B10R0.4 CC(=O)OCCCCOCF 7a_100000073216_100015361967 [0,2,0,0,0,0|0,0,2]=4 3213 B10R0.4 CC(=O)OCCCCSCF 62a_100000033659_100015361967 [0,2,0,0,0,0|0,0,2]=4 3214 B10R0.4 CC(=O)OCCCCSCF 62a_100015361967_100000033659 [0,2,0,0,0,0|0,0,2]=4 3215 B10R0.4 CC(=O)OCCCNCCF 34a_100000724931_100000042594 [0,2,0,0,0,0|0,0,2]=4 3216 B10R0.4 CC(=O)OCCCNCCO 34a_100016990907_100000042594 [0,2,0,0,0,0|0,0,2]=4 3217 B10R0.4 CC(=O)OCCCOCCBr 34a_100000211926_100000042594 [0,2,0,0,0,0|0,0,2]=4 3218 B10R0.4 CC(=O)OCCCOCCN 34a_100000210304_100000042594 [0,2,0,0,0,0|0,0,2]=4 3219 B10R0.4 CC(=O)OCCCSCC#N 62a_100000042594_100011215382 [0,2,0,0,0,0|0,0,2]=4 3220 B10R0.4 CC(=O)OCCCSCC#N 62a_100011215382_100000042594 [0,2,0,0,0,0|0,0,2]=4 3221 B10R0.4 CC(=O)OCCCSCC=O 62a_100000042594_200015260668 [0,2,0,0,0,0|0,0,1]=3 3222 B10R0.4 CC(=O)OCCCSCC=O 62a_200015260668_100000042594 [0,2,0,0,0,0|0,0,1]=3 3223 B10R0.4 CC(=O)OCCCSCCF 62a_100000042594_100011217306 [0,2,0,0,0,0|0,0,2]=4 3224 B10R0.4 CC(=O)OCCCSCCF 62a_100011217306_100000042594 [0,2,0,0,0,0|0,0,2]=4 3225 B10R0.4 CC(=O)OCCCSCCO 62a_100000042594_100000211926 [0,2,0,0,0,0|0,0,2]=4 3226 B10R0.4 CC(=O)OCCCSCCO 62a_100000211926_100000042594 [0,2,0,0,0,0|0,0,2]=4 3227 B10R0.4 CC(=O)OCCNCCCF 34a_100015189416_100009814007 [0,2,0,0,0,0|0,0,2]=4 3228 B10R0.4 CC(=O)OCCOCCCBr 34a_100011217188_100009814007 [0,2,0,0,0,0|0,0,2]=4 3229 B10R0.4 CC(=O)OCCOCCCCl 34a_100000230001_100009814007 [0,2,0,0,0,0|0,0,2]=4 3230 B10R0.4 CC(=O)OCCOCCCF 34a_100000759539_100009814007 [0,2,0,0,0,0|0,0,2]=4 3231 B10R0.4 CC(=O)OCCOCCCN 34a_100000182051_100009814007 [0,2,0,0,0,0|0,0,2]=4 3232 B10R0.4 CC(=O)OCCOCCON 34a_100000700252_100009814007 [0,2,0,0,0,0|1,0,1]=4 3233 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200000083610_200025704644 [0,2,0,0,0,0|0,0,2]=4 3234 B10R0.4 CC(=O)OCCOCCS[13CH3] 62a_200025704644_200000083610 [0,2,0,0,0,0|0,0,2]=4 3235 B10R0.4 CC(=O)OCCOCSCF 62a_100000076355_100015361967 [0,2,0,0,0,0|1,0,1]=4 3236 B10R0.4 CC(=O)OCCOCSCF 62a_100015361967_100000076355 [0,2,0,0,0,0|1,0,1]=4 3237 B10R0.4 CC(=O)OCCSCCC#N 62a_100009814007_100011215226 [0,2,0,0,0,0|0,0,2]=4 3238 B10R0.4 CC(=O)OCCSCCC#N 62a_100011215226_100009814007 [0,2,0,0,0,0|0,0,2]=4 3239 B10R0.4 CC(=O)OCCSCCCF 62a_100009814007_100011934791 [0,2,0,0,0,0|0,0,2]=4 3240 B10R0.4 CC(=O)OCCSCCCF 62a_100011934791_100009814007 [0,2,0,0,0,0|0,0,2]=4 3241 B10R0.4 CC(=O)OCCSCCCO 62a_100009814007_100011215043 [0,2,0,0,0,0|0,0,2]=4 3242 B10R0.4 CC(=O)OCCSCCCO 62a_100011215043_100009814007 [0,2,0,0,0,0|0,0,2]=4 3243 B10R0.4 CC(=O)OCCSCSC#N 62a_100000211825_100009814007 [0,2,0,0,0,0|1,0,1]=4 3244 B10R0.4 CC(=O)OCCSCSC#N 62a_100009814007_100000211825 [0,2,0,0,0,0|1,0,1]=4 3245 B10R0.4 CC(=O)OCNCCCCO 34a_100000750430_100009813279 [0,2,0,0,0,0|0,0,2]=4 3246 B10R0.4 CC(=O)OCOCCCCBr 34a_100011216708_100009813279 [0,2,0,0,0,0|0,0,2]=4 3247 B10R0.4 CC(=O)OCOCCCCCl 34a_100000210776_100009813279 [0,2,0,0,0,0|0,0,2]=4 3248 B10R0.4 CC(=O)OCOCCCCF 34a_100011995726_100009813279 [0,2,0,0,0,0|0,0,2]=4 3249 B10R0.4 CC(=O)OCOCCCCI 34a_200012148704_100009813279 [0,2,0,0,0,0|0,0,2]=4 3250 B10R0.4 CC(=O)OCOCCCCN 34a_100000750430_100009813279 [0,2,0,0,0,0|0,0,2]=4 3251 B10R0.4 CC(=O)OCSCCCC#N 62a_100000076356_100000687738 [0,2,0,0,0,0|0,0,2]=4 3252 B10R0.4 CC(=O)OCSCCCC#N 62a_100000687738_100000076356 [0,2,0,0,0,0|0,0,2]=4 3253 B10R0.4 CC(=O)OCSCCCC=O 62a_100000076356_200011292268 [0,2,0,0,0,0|0,0,1]=3 3254 B10R0.4 CC(=O)OCSCCCC=O 62a_200011292268_100000076356 [0,2,0,0,0,0|0,0,1]=3 3255 B10R0.4 CC(=O)OCSCCCCF 62a_100000076356_100000729493 [0,2,0,0,0,0|0,0,2]=4 3256 B10R0.4 CC(=O)OCSCCCCF 62a_100000729493_100000076356 [0,2,0,0,0,0|0,0,2]=4 3257 B10R0.4 CC(=O)OCSCCCCO 62a_100000076356_100000210776 [0,2,0,0,0,0|0,0,2]=4 3258 B10R0.4 CC(=O)OCSCCCCO 62a_100000210776_100000076356 [0,2,0,0,0,0|0,0,2]=4 3259 B10R0.4 CC(=O)OCSCCSC#N 62a_100000034367_100000076356 [0,2,0,0,0,0|1,0,1]=4 3260 B10R0.4 CC(=O)OCSCCSC#N 62a_100000076356_100000034367 [0,2,0,0,0,0|1,0,1]=4 3261 B10R0.4 CC(=O)SCCCSCC=O 62a_100000038929_200015260668 [0,2,0,0,0,0|0,1,1]=4 3262 B10R0.4 CC(=O)SCCCSCC=O 62a_200015260668_100000038929 [0,2,0,0,0,0|0,1,1]=4 3263 B10R0.4 CC(=S)OCCCSCC=O 62a_200015260668_200135323944 [0,2,0,0,0,0|0,1,1]=4 3264 B10R0.4 CC(=S)OCCCSCC=O 62a_200135323944_200015260668 [0,2,0,0,0,0|0,1,1]=4 3265 B10R0.4 CC/C=C/CCCOC(C)C 34a_100016287902_100000210206 [0,2,0,0,0,0|1,0,1]=4 3266 B10R0.4 CC/C=C/CCCOC(C)C 7a_100016287902_100000210206 [0,2,0,0,0,0|1,0,1]=4 3267 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,2,0,0,0,0|0,0,2]=4 3268 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [0,2,0,0,0,0|2,0,0]=4 3269 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [0,2,0,0,0,0|2,0,0]=4 3270 B10R0.4 CC/C=C\COCOC(=O)C 34a_100016268518_100009813279 [0,2,0,0,0,0|1,0,0]=3 3271 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [0,2,0,0,0,0|2,0,0]=4 3272 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [0,2,0,0,0,0|2,0,0]=4 3273 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100000076356_100103147603 [0,2,0,0,0,0|1,0,0]=3 3274 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100103147603_100000076356 [0,2,0,0,0,0|1,0,0]=3 3275 B10R0.4 CC=CCCCOCC(=O)N 34a_100020645299_100000187820 [0,2,0,0,0,0|1,0,0]=3 3276 B10R0.4 CC=CCCCOCC(=O)[O-] 34a_100020645299_100020667443 [0,2,0,0,0,0|1,0,0]=3 3277 B10R0.4 CC=CCCCOCC(C)C 34a_100020645299_100000210624 [0,2,0,0,0,0|1,0,1]=4 3278 B10R0.4 CC=CCCCOCC(C)O 34a_100020645299_100011218427 [0,2,0,0,0,0|0,0,2]=4 3279 B10R0.4 CC=CCCCOC[C@@H](C)O 34a_100020645299_100009817552 [0,2,0,0,0,0|0,0,2]=4 3280 B10R0.4 CC=CCCCOC[N+](=O)[O-] 34a_100020645299_100000761209 [0,2,0,0,0,0|2,0,0]=4 3281 B10R0.4 CC=CCNCCCC(=O)N 34a_100000739312_100000070051 [0,2,0,0,0,0|2,0,0]=4 3282 B10R0.4 CC=CCNCCCS(=O)C 2230a_200000753449_100000070051 [0,2,0,0,0,0|2,0,0]=4 3283 B10R0.4 CC=CCNCCNC(=O)C 2230a_100000209853_100000070051 [0,2,0,0,0,0|1,0,0]=3 3284 B10R0.4 CC=CCNCCNC(=O)N 34a_100020590234_100000070051 [0,2,0,0,0,0|2,0,0]=4 3285 B10R0.4 CC=CCNCCOC(C)C 2230a_100000701111_100000070051 [0,2,0,0,0,0|1,0,1]=4 3286 B10R0.4 CC=CCNCCOC(C)C 34a_100000701111_100000070051 [0,2,0,0,0,0|1,0,1]=4 3287 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [0,2,0,0,0,0|1,0,0]=3 3288 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [0,2,0,0,0,0|1,0,0]=3 3289 B10R0.4 CC=CCOCCNC(=O)C 34a_100000158858_100000070051 [0,2,0,0,0,0|1,0,0]=3 3290 B10R0.4 CC=CCOCCNC(=O)N 34a_100000181757_100000070051 [0,2,0,0,0,0|2,0,0]=4 3291 B10R0.4 CC=CCOCCOC(=O)N 7a_100000766696_100000070051 [0,2,0,0,0,0|1,0,0]=3 3292 B10R0.4 CC=CCOCCOC(C)C 34a_100000211219_100000070051 [0,2,0,0,0,0|1,0,1]=4 3293 B10R0.4 CC=CCOCCOC(C)C 7a_100000211219_100000070051 [0,2,0,0,0,0|1,0,1]=4 3294 B10R0.4 CC=CCSCCC=C(C)C 62a_100000070051_100011217483 [0,2,0,0,0,0|2,0,0]=4 3295 B10R0.4 CC=CCSCCC=C(C)C 62a_100011217483_100000070051 [0,2,0,0,0,0|2,0,0]=4 3296 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [0,2,0,0,0,0|1,0,0]=3 3297 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [0,2,0,0,0,0|1,0,0]=3 3298 B10R0.4 CC=CCSCCCC(=O)N 62a_100000070051_100102525003 [0,2,0,0,0,0|2,0,0]=4 3299 B10R0.4 CC=CCSCCCC(=O)N 62a_100102525003_100000070051 [0,2,0,0,0,0|2,0,0]=4 3300 B10R0.4 CC=CCSCCNC(=O)C 62a_100000070051_100000189650 [0,2,0,0,0,0|1,0,0]=3 3301 B10R0.4 CC=CCSCCNC(=O)C 62a_100000189650_100000070051 [0,2,0,0,0,0|1,0,0]=3 3302 B10R0.4 CC=CCSCCNC(=O)N 62a_100000070051_200000034859 [0,2,0,0,0,0|2,0,0]=4 3303 B10R0.4 CC=CCSCCNC(=O)N 62a_200000034859_100000070051 [0,2,0,0,0,0|2,0,0]=4 3304 B10R0.4 CC=CCSCCOC(=O)C 62a_100000070051_100009814007 [0,2,0,0,0,0|0,0,0]=2 3305 B10R0.4 CC=CCSCCOC(=O)C 62a_100009814007_100000070051 [0,2,0,0,0,0|0,0,0]=2 3306 B10R0.4 CC=CCSCCOC(=O)N 62a_100000070051_200011214921 [0,2,0,0,0,0|1,0,0]=3 3307 B10R0.4 CC=CCSCCOC(=O)N 62a_200011214921_100000070051 [0,2,0,0,0,0|1,0,0]=3 3308 B10R0.4 CC=CCSCCOC(C)C 62a_100000070051_100000211751 [0,2,0,0,0,0|1,0,1]=4 3309 B10R0.4 CC=CCSCCOC(C)C 62a_100000211751_100000070051 [0,2,0,0,0,0|1,0,1]=4 3310 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [0,2,0,0,0,0|0,0,2]=4 3311 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [0,2,0,0,0,0|0,0,2]=4 3312 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [0,2,0,0,0,0|0,0,2]=4 3313 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [0,2,0,0,0,0|0,0,2]=4 3314 B10R0.4 CCCCCOCOC(=O)C 34a_100000210253_100009813279 [0,2,0,0,0,0|0,0,2]=4 3315 B10R0.4 CCCCCSCOC(=O)C 62a_100000076356_100000210326 [0,2,0,0,0,0|0,0,2]=4 3316 B10R0.4 CCCCCSCOC(=O)C 62a_100000210326_100000076356 [0,2,0,0,0,0|0,0,2]=4 3317 B10R0.4 CCCCNCCOC(=O)C 7a_106832991798_100009814007 [0,2,0,0,0,0|0,0,2]=4 3318 B10R0.4 CCCCOCCOC(=O)C 34a_100000210227_100009814007 [0,2,0,0,0,0|0,0,2]=4 3319 B10R0.4 CCCCOCCOC(=O)C 7a_100000210227_100009814007 [0,2,0,0,0,0|0,0,2]=4 3320 B10R0.4 CCCCOCOCC(=O)C 34a_100000211253_100011995733 [0,2,0,0,0,0|0,0,2]=4 3321 B10R0.4 CCCCSCCOC(=O)C 62a_100000210211_100009814007 [0,2,0,0,0,0|0,0,2]=4 3322 B10R0.4 CCCCSCCOC(=O)C 62a_100009814007_100000210210 [0,2,0,0,0,0|0,0,2]=4 3323 B10R0.4 CCCOCCCOC(=O)C 34a_100000210258_100000042594 [0,2,0,0,0,0|0,0,2]=4 3324 B10R0.4 CCCOCCOCC(=O)C 34a_100000211253_100011215938 [0,2,0,0,0,0|0,0,2]=4 3325 B10R0.4 CCCSCCCOC(=O)C 62a_100000042594_100000210303 [0,2,0,0,0,0|0,0,2]=4 3326 B10R0.4 CCCSCCCOC(=O)C 62a_100000210303_100000042594 [0,2,0,0,0,0|0,0,2]=4 3327 B10R0.4 CCOCCCCOC(=O)C 34a_100000073216_100000210202 [0,2,0,0,0,0|0,0,2]=4 3328 B10R0.4 CCOCCCCOC(=O)C 34a_100121572206_100000033659 [0,2,0,0,0,0|0,0,2]=4 3329 B10R0.4 CCOCCCCOC(=O)C 7a_100000073216_100000210202 [0,2,0,0,0,0|0,0,2]=4 3330 B10R0.4 CCOCCCOCC(=O)C 34a_100000211253_100012232248 [0,2,0,0,0,0|0,0,2]=4 3331 B10R0.4 CCOCCNCOC(=O)C 34a_102516460346_100009813279 [0,2,0,0,0,0|0,0,2]=4 3332 B10R0.4 CCOCCOCOC(=O)C 34a_100000210136_100009813279 [0,2,0,0,0,0|0,0,2]=4 3333 B10R0.4 CCOCCSCOC(=O)C 62a_100000076356_100011215890 [0,2,0,0,0,0|0,0,2]=4 3334 B10R0.4 CCOCCSCOC(=O)C 62a_100000210147_100000076356 [0,2,0,0,0,0|0,0,2]=4 3335 B10R0.4 CCOCOCCOC(=O)C 34a_100121572206_100000076355 [0,2,0,0,0,0|0,0,2]=4 3336 B10R0.4 CCOCSCCOC(=O)C 62a_100000739092_100009814007 [0,2,0,0,0,0|0,0,2]=4 3337 B10R0.4 CCOCSCCOC(=O)C 62a_100009814007_100000739092 [0,2,0,0,0,0|0,0,2]=4 3338 B10R0.4 CCSCCCCOC(=O)C 62a_100000033659_100000210202 [0,2,0,0,0,0|0,0,2]=4 3339 B10R0.4 CCSCCCCOC(=O)C 62a_100000210202_100000033659 [0,2,0,0,0,0|0,0,2]=4 3340 B10R0.4 CCSCCOCOC(=O)C 34a_100000212035_100009813279 [0,2,0,0,0,0|0,0,2]=4 3341 B10R0.4 CCSCCSCOC(=O)C 62a_100000076356_100000757381 [0,2,0,0,0,0|0,0,2]=4 3342 B10R0.4 CCSCCSCOC(=O)C 62a_100000757381_100000076356 [0,2,0,0,0,0|0,0,2]=4 3343 B10R0.4 CCSCOCCOC(=O)C 62a_100000076355_100000210202 [0,2,0,0,0,0|0,0,2]=4 3344 B10R0.4 CCSCOCCOC(=O)C 62a_100000210202_100000076355 [0,2,0,0,0,0|0,0,2]=4 3345 B10R0.4 CNCCCCCOC(=O)C 2230a_106832991635_100009813381 [0,2,0,0,0,0|0,0,2]=4 3346 B10R0.4 CNCCCCCOC(=O)C 34a_100102657272_100000033007 [0,2,0,0,0,0|0,0,2]=4 3347 B10R0.4 CNCCCCCOC(=O)C 7a_106832991635_100000033007 [0,2,0,0,0,0|0,0,2]=4 3348 B10R0.4 CNCCCOCOC(=O)C 34a_100000213112_100009813279 [0,2,0,0,0,0|0,0,2]=4 3349 B10R0.4 CNCCOCCOC(=O)C 2230a_106832991635_200000083610 [0,2,0,0,0,0|0,0,2]=4 3350 B10R0.4 CNCCOCCOC(=O)C 34a_100102657272_200000083610 [0,2,0,0,0,0|0,0,2]=4 3351 B10R0.4 CNCCOCCOC(=O)C 7a_106832991635_200000083610 [0,2,0,0,0,0|0,0,2]=4 3352 B10R0.4 COCCCCCOC(=O)C 34a_100138415774_100000033007 [0,2,0,0,0,0|0,0,2]=4 3353 B10R0.4 COCCCCOCC(=O)C 34a_100000211253_100000755781 [0,2,0,0,0,0|0,0,2]=4 3354 B10R0.4 COCCCNCOC(=O)C 34a_100150723488_100009813279 [0,2,0,0,0,0|0,0,2]=4 3355 B10R0.4 COCCCOCCC(=O)C 34a_100000759926_100000740836 [0,2,0,0,0,0|1,0,1]=4 3356 B10R0.4 COCCCOCCC(=O)C 7a_100000759926_100000740836 [0,2,0,0,0,0|1,0,1]=4 3357 B10R0.4 COCCCOCOC(=O)C 34a_100000740835_100009813279 [0,2,0,0,0,0|0,0,2]=4 3358 B10R0.4 COCCCSCOC(=O)C 62a_100000076356_100000709357 [0,2,0,0,0,0|0,0,2]=4 3359 B10R0.4 COCCCSCOC(=O)C 62a_100000709357_100000076356 [0,2,0,0,0,0|0,0,2]=4 3360 B10R0.4 COCCOCCOC(=O)C 34a_100000210237_100009814007 [0,2,0,0,0,0|0,0,2]=4 3361 B10R0.4 COCCOCCOC(=O)C 34a_100138415774_200000083610 [0,2,0,0,0,0|0,0,2]=4 3362 B10R0.4 COCCSCCOC(=O)C 62a_100000233755_100009814007 [0,2,0,0,0,0|0,0,2]=4 3363 B10R0.4 COCCSCCOC(=O)C 62a_100009814007_100000233755 [0,2,0,0,0,0|0,0,2]=4 3364 B10R0.4 COCSCCCOC(=O)C 62a_100000042594_100000766300 [0,2,0,0,0,0|0,0,2]=4 3365 B10R0.4 COCSCCCOC(=O)C 62a_100000766300_100000042594 [0,2,0,0,0,0|0,0,2]=4 3366 B10R0.4 CSCCCCCOC(=O)C 62a_100000033007_200000210301 [0,2,0,0,0,0|0,0,2]=4 3367 B10R0.4 CSCCCCCOC(=O)C 62a_200000210301_100000033007 [0,2,0,0,0,0|0,0,2]=4 3368 B10R0.4 CSCCCOCCC(=O)C 7a_100000690336_100000053229 [0,2,0,0,0,0|1,0,1]=4 3369 B10R0.4 CSCCCOCOC(=O)C 34a_100000690336_100009813279 [0,2,0,0,0,0|0,0,2]=4 3370 B10R0.4 CSCCOCCOC(=O)C 34a_100000230434_100009814007 [0,2,0,0,0,0|0,0,2]=4 3371 B10R0.4 CSCCOCCOC(=O)C 62a_200000083610_200000210301 [0,2,0,0,0,0|0,0,2]=4 3372 B10R0.4 CSCCOCCOC(=O)C 62a_200000210301_200000083610 [0,2,0,0,0,0|0,0,2]=4 3373 B10R0.4 CSCCOCCOC(=O)C 7a_100000230434_100009814007 [0,2,0,0,0,0|0,0,2]=4 3374 B10R0.4 CSCCSCCOC(=O)C 62a_100000212216_100009814007 [0,2,0,0,0,0|0,0,2]=4 3375 B10R0.4 CSCCSCCOC(=O)C 62a_100009814007_100000751147 [0,2,0,0,0,0|0,0,2]=4 3376 B10R0.4 CSCSCCCOC(=O)C 62a_100000042594_100011218213 [0,2,0,0,0,0|0,0,2]=4 3377 B10R0.4 CSCSCCCOC(=O)C 62a_100011218213_100000042594 [0,2,0,0,0,0|0,0,2]=4 3378 B10R0.4 NC(=O)CCOCCCC=O 7a_100000757172_200011292268 [0,2,0,0,0,0|2,0,0]=4 3379 B10R0.4 NC(=O)COCCSCC=O 62a_100000076697_200015260668 [0,2,0,0,0,0|2,0,0]=4 3380 B10R0.4 NC(=O)COCCSCC=O 62a_200015260668_100000076697 [0,2,0,0,0,0|2,0,0]=4 3381 B10R0.4 O=CCCCNOCC(=O)O 269956a_100000106656_200011292268 [0,2,0,0,0,0|2,0,0]=4 3382 B10R0.4 O=CCNCCOCC(=O)O 269956a_100000700818_200015260668 [0,2,0,0,0,0|2,0,0]=4 3383 B10R0.4 [13CH3]C(=O)COCCOCCO 1458a_106645077154_200025704644 [0,2,0,0,0,0|1,0,1]=4 3384 B10R0.6 C#CCCSC(C)OC(=O)C 62a_100000688953_100009818208 [0,2,0,0,0,0|0,0,2]=4 3385 B10R0.6 C#CCCSC(C)OC(=O)C 62a_100009818208_100000688953 [0,2,0,0,0,0|0,0,2]=4 3386 B10R0.6 C/C=C/CSC(C)OC(=O)C 62a_100009818208_100102629194 [0,2,0,0,0,0|1,0,0]=3 3387 B10R0.6 C/C=C/CSC(C)OC(=O)C 62a_100102629194_100009818208 [0,2,0,0,0,0|1,0,0]=3 3388 B10R0.6 C=CCCCC(=O)C=C(C)C 1458a_100000211388_100000757094 [0,2,0,0,0,0|2,0,0]=4 3389 B10R0.6 C=CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000757094 [0,2,0,0,0,0|2,0,0]=4 3390 B10R0.6 C=CCCCC(=O)C=C(C)I 1458a_100025716642_100000757094 [0,2,0,0,0,0|2,0,0]=4 3391 B10R0.6 C=CCCCC(=O)CC(=C)C 1458a_100000766728_100000748629 [0,2,0,0,0,0|2,0,0]=4 3392 B10R0.6 C=CCCCC(=O)CC(=O)N 1458a_100000766728_100000187820 [0,2,0,0,0,0|2,0,0]=4 3393 B10R0.6 C=CCCCC(=O)CC(=O)N 1458a_100134613110_100000757094 [0,2,0,0,0,0|2,0,0]=4 3394 B10R0.6 C=CCCCC(=O)CC(=O)[O-] 1458a_100000766728_100020667443 [0,2,0,0,0,0|2,0,0]=4 3395 B10R0.6 C=CCCCN(C)CC(=C)C 2230a_100000225649_100011713584 [0,2,0,0,0,0|2,0,0]=4 3396 B10R0.6 C=CCCCN(C)CC(=C)C 269982a_100000225649_100000757094 [0,2,0,0,0,0|2,0,0]=4 3397 B10R0.6 C=CCCCN(C)CC(=O)N 2230a_100000739694_100011713584 [0,2,0,0,0,0|2,0,0]=4 3398 B10R0.6 C=CCCCN(C)CC(=O)O 269956a_100000746989_100011713584 [0,2,0,0,0,0|2,0,0]=4 3399 B10R0.6 C=CCCOC(C)C=C(C)C 34a_100000717055_100000754431 [0,2,0,0,0,0|2,0,0]=4 3400 B10R0.6 C=CCCSC(C)OC(=O)C 62a_100000754431_100009818208 [0,2,0,0,0,0|0,0,0]=2 3401 B10R0.6 C=CCCSC(C)OC(=O)C 62a_100009818208_100000754431 [0,2,0,0,0,0|0,0,0]=2 3402 B10R0.6 C=CCNCC(O)CC(=O)O 269956a_100011218706_100000210623 [0,2,0,0,0,0|2,0,0]=4 3403 B10R0.6 C=CCSCC(=O)NC(=O)C 62a_100000210623_100000183797 [0,2,0,0,0,0|1,0,1]=4 3404 B10R0.6 CC(=O)OC(C)SCCC#N 62a_100009818208_100011215226 [0,2,0,0,0,0|1,0,1]=4 3405 B10R0.6 CC(=O)OC(C)SCCC#N 62a_100011215226_100009818208 [0,2,0,0,0,0|1,0,1]=4 3406 B10R0.6 CC(=O)OC(C)SCCCF 62a_100009818208_100011934791 [0,2,0,0,0,0|1,0,1]=4 3407 B10R0.6 CC(=O)OC(C)SCCCF 62a_100011934791_100009818208 [0,2,0,0,0,0|1,0,1]=4 3408 B10R0.6 CC(=O)OC(C)SCCCO 62a_100009818208_100011215043 [0,2,0,0,0,0|1,0,1]=4 3409 B10R0.6 CC(=O)OC(C)SCCCO 62a_100011215043_100009818208 [0,2,0,0,0,0|1,0,1]=4 3410 B10R0.6 CC=CCSC(C)OC(=O)C 62a_100000070051_100009818208 [0,2,0,0,0,0|1,0,0]=3 3411 B10R0.6 CC=CCSC(C)OC(=O)C 62a_100009818208_100000070051 [0,2,0,0,0,0|1,0,0]=3 3412 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,2,0,0,0,0|0,0,2]=4 3413 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,2,0,0,0,0|0,0,2]=4 3414 B10R0.6 COCCSC(C)OC(=O)C 62a_100000233755_100009818208 [0,2,0,0,0,0|1,0,1]=4 3415 B10R0.6 COCCSC(C)OC(=O)C 62a_100009818208_100000233755 [0,2,0,0,0,0|1,0,1]=4 3416 B10R0.6 CSCCSC(C)OC(=O)C 62a_100000212216_100009818208 [0,2,0,0,0,0|1,0,1]=4 3417 B10R0.6 CSCCSC(C)OC(=O)C 62a_100009818208_100000751147 [0,2,0,0,0,0|1,0,1]=4 3418 B10R0.22 C=CCCCCNS(=O)(=O)C 40a_100000703577_100000738038 [0,2,0,0,0,0|2,0,0]=4 3419 B10R0.22 C=CCCCCOC(C)(C)C 34a_100000766645_100000210625 [0,2,0,0,0,0|1,0,1]=4 3420 B10R0.22 C=CCCCCOC(C)(C)C 34a_100015890283_100011215482 [0,2,0,0,0,0|1,0,1]=4 3421 B10R0.22 C=CCCCCOC(C)(C)C 7a_100015890283_100011215482 [0,2,0,0,0,0|1,0,1]=4 3422 B10R0.22 C=CCCCOCC(C)(C)C 34a_100000758997_100011219605 [0,2,0,0,0,0|1,0,1]=4 3423 B10R0.22 C=CCCCOCC(C)(C)F 34a_100000716592_100000757094 [0,2,0,0,0,0|1,0,1]=4 3424 B10R0.22 C=CCCCOCC(C)(C)F 34a_100000758997_100011997219 [0,2,0,0,0,0|1,0,1]=4 3425 B10R0.22 C=CCCCOCC(C)(C)O 34a_100000758997_100000764493 [0,2,0,0,0,0|0,0,2]=4 3426 B10R0.22 C=CCCCOCC(C)(C)O 7a_100000758997_100000764493 [0,2,0,0,0,0|0,0,2]=4 3427 B10R0.22 C=CCCCOCC(C)(F)F 34a_100000068830_100000757094 [0,2,0,0,0,0|1,0,1]=4 3428 B10R0.22 C=CCCCOCS(=O)(=O)[O-] 34a_100000758997_100009817235 [0,2,0,0,0,0|2,0,0]=4 3429 B10R0.22 C=CCCCOC[Si](C)(C)C 7a_100000758997_100000233785 [0,2,0,0,0,0|1,1,0]=4 3430 B10R0.22 C=CCCNCCS(=O)(=O)C 2230a_100000740961_100000754431 [0,2,0,0,0,0|2,0,0]=4 3431 B10R0.22 C=CCCNCCS(=O)(=O)C 2230a_100015191253_100000731031 [0,2,0,0,0,0|2,0,0]=4 3432 B10R0.22 C=CCCNCCS(=O)(=O)C 34a_100000740961_100000754431 [0,2,0,0,0,0|2,0,0]=4 3433 B10R0.22 C=CCCOCCS(=O)(=O)C 34a_100000211924_100000754431 [0,2,0,0,0,0|2,0,0]=4 3434 B10R0.22 C=CCCOCCS(=O)(=O)C 34a_100011205117_100000731031 [0,2,0,0,0,0|2,0,0]=4 3435 B10R0.22 C=CCCOCCS(=O)(=O)C 7a_100000211924_100000754431 [0,2,0,0,0,0|2,0,0]=4 3436 B10R0.22 C=CCCSCCS(=O)(=O)C 62a_100000731031_100000754431 [0,2,0,0,0,0|2,0,0]=4 3437 B10R0.22 C=CCCSCCS(=O)(=O)C 62a_100000754431_100000230027 [0,2,0,0,0,0|2,0,0]=4 3438 B10R0.22 C=CCNCCCS(=O)(=O)C 2230a_100000742409_100000210623 [0,2,0,0,0,0|2,0,0]=4 3439 B10R0.22 C=CCNCCCS(=O)(=O)C 2230a_100020586998_100000754308 [0,2,0,0,0,0|2,0,0]=4 3440 B10R0.22 C=CCNCCCS(=O)(=O)C 34a_100000742409_100015514636 [0,2,0,0,0,0|2,0,0]=4 3441 B10R0.22 C=CCNCCNS(=O)(=O)C 2230a_100020586998_100000754112 [0,2,0,0,0,0|2,0,0]=4 3442 B10R0.22 C=CCNCCNS(=O)(=O)C 34a_100000752411_100015514636 [0,2,0,0,0,0|2,0,0]=4 3443 B10R0.22 C=CCNCCOC(C)(C)C 2230a_100000747557_100000210623 [0,2,0,0,0,0|1,0,1]=4 3444 B10R0.22 C=CCNCCOS(=O)(=O)C 2230a_100020586998_200000036756 [0,2,0,0,0,0|1,0,0]=3 3445 B10R0.22 C=CCNCCO[Si](C)(C)C 2230a_100020586998_200000032530 [0,2,0,0,0,0|1,1,0]=4 3446 B10R0.22 C=CCOCCCS(=O)(=O)C 34a_100000689940_100015514636 [0,2,0,0,0,0|2,0,0]=4 3447 B10R0.22 C=CCOCCCS(=O)(=O)C 34a_200000210373_100000754308 [0,2,0,0,0,0|2,0,0]=4 3448 B10R0.22 C=CCOCCCS(=O)(=O)C 7a_100000689940_100015514636 [0,2,0,0,0,0|2,0,0]=4 3449 B10R0.22 C=CCOCCOC(C)(C)C 34a_100000037705_100000210625 [0,2,0,0,0,0|1,0,1]=4 3450 B10R0.22 C=CCOCCOC(C)(C)C 34a_100000693234_100015514636 [0,2,0,0,0,0|1,0,1]=4 3451 B10R0.22 C=CCOCCOC(C)(C)C 7a_100000693234_100015514636 [0,2,0,0,0,0|1,0,1]=4 3452 B10R0.22 C=CCOCCOS(=O)(=O)C 34a_200000210373_200000036756 [0,2,0,0,0,0|1,0,0]=3 3453 B10R0.22 C=CCOCCO[Si](C)(C)C 34a_200000210373_200000032530 [0,2,0,0,0,0|1,1,0]=4 3454 B10R0.22 C=CCSCCCS(=O)(=O)C 62a_100000210623_100000754308 [0,2,0,0,0,0|2,0,0]=4 3455 B10R0.22 C=CCSCCCS(=O)(=O)C 62a_100000754308_100000210623 [0,2,0,0,0,0|2,0,0]=4 3456 B10R0.22 C=CCSCCNS(=O)(=O)C 62a_100000210623_100000754112 [0,2,0,0,0,0|2,0,0]=4 3457 B10R0.22 C=CCSCCNS(=O)(=O)C 62a_100000754112_100000210623 [0,2,0,0,0,0|2,0,0]=4 3458 B10R0.22 C=CCSCCOS(=O)(=O)C 62a_100000210623_200000036756 [0,2,0,0,0,0|1,0,0]=3 3459 B10R0.22 C=CCSCCOS(=O)(=O)C 62a_200000036756_100000210623 [0,2,0,0,0,0|1,0,0]=3 3460 B10R0.22 C=CCSCCO[Si](C)(C)C 62a_100000210623_200000032530 [0,2,0,0,0,0|1,1,0]=4 3461 B10R0.22 C=CCSCCO[Si](C)(C)C 62a_200000032530_100000210623 [0,2,0,0,0,0|1,1,0]=4 3462 B10R0.22 CC=CCCCOC(C)(C)C 34a_100020645299_100000210625 [0,2,0,0,0,0|1,0,1]=4 3463 B10R0.22 CS(=O)(=O)OCCSCC=O 62a_200000036756_200015260668 [0,2,0,0,0,0|2,0,0]=4 3464 B10R0.22 CS(=O)(=O)OCCSCC=O 62a_200015260668_200000036756 [0,2,0,0,0,0|2,0,0]=4 3465 B10R0.55 C#CC(=O)CCCCC(=O)C 1458a_100000211873_100000735457 [0,2,0,0,0,0|1,0,1]=4 3466 B10R0.55 C#CC(=O)CCCOC(=O)C 1458a_100000211873_100000042594 [0,2,0,0,0,0|0,0,1]=3 3467 B10R0.55 C#CC(=O)CCCOC(=S)C 1458a_100000211873_200135323944 [0,2,0,0,0,0|0,1,1]=4 3468 B10R0.55 C#CC(=O)CCCSC(=O)C 1458a_100000211873_100000038929 [0,2,0,0,0,0|0,1,1]=4 3469 B10R0.55 C#CC(C)NCCOC(=O)C 34a_100000707721_100009814007 [0,2,0,0,0,0|0,0,2]=4 3470 B10R0.55 C#CC(C)SCCOC(=O)C 62a_200000035995_100009814007 [0,2,0,0,0,0|0,0,2]=4 3471 B10R0.55 C#C[C@@H](C)OCCOC(=O)C 34a_100009815206_100009814007 [0,2,0,0,0,0|0,0,2]=4 3472 B10R0.55 C#C[C@@H](C)OCCOC(=O)C 7a_100009815206_100009814007 [0,2,0,0,0,0|0,0,2]=4 3473 B10R0.55 C=C(Br)CCOCC(=O)NC 34a_100009813270_100000183359 [0,2,0,0,0,0|2,0,0]=4 3474 B10R0.55 C=C(Br)CCOCC(=O)OC 34a_100009813270_100000747449 [0,2,0,0,0,0|2,0,0]=4 3475 B10R0.55 C=C(C#N)COCCC(=O)C 34a_100000759926_100000694840 [0,2,0,0,0,0|2,0,0]=4 3476 B10R0.55 C=C(C#N)CSCCC(=O)C 62a_100000053229_100000694840 [0,2,0,0,0,0|2,0,0]=4 3477 B10R0.55 C=C(C#N)CSCOC(=O)C 62a_100000076356_100000694840 [0,2,0,0,0,0|1,0,0]=3 3478 B10R0.55 C=C(C)CCNCC(=O)NC 2230a_100000693194_100000730704 [0,2,0,0,0,0|2,0,0]=4 3479 B10R0.55 C=C(C)CCOCC(=O)CC 34a_100000725409_100000730704 [0,2,0,0,0,0|2,0,0]=4 3480 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000750040_100000730704 [0,2,0,0,0,0|2,0,0]=4 3481 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000764851_100000183359 [0,2,0,0,0,0|2,0,0]=4 3482 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [0,2,0,0,0,0|2,0,0]=4 3483 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000730704_100000747405 [0,2,0,0,0,0|2,0,0]=4 3484 B10R0.55 C=C(C)CCSCC(=O)CC 62a_100000747405_100000730704 [0,2,0,0,0,0|2,0,0]=4 3485 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000183359_100000730704 [0,2,0,0,0,0|2,0,0]=4 3486 B10R0.55 C=C(C)CCSCC(=O)NC 62a_100000730704_100000183359 [0,2,0,0,0,0|2,0,0]=4 3487 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000730704_100000747449 [0,2,0,0,0,0|2,0,0]=4 3488 B10R0.55 C=C(C)CCSCC(=O)OC 62a_100000747449_100000730704 [0,2,0,0,0,0|2,0,0]=4 3489 B10R0.55 C=C(C)CNCCC(=O)NC 2230a_100000738227_100000748629 [0,2,0,0,0,0|2,0,0]=4 3490 B10R0.55 C=C(C)CNCCC(=O)NC 34a_100000738227_100000748629 [0,2,0,0,0,0|2,0,0]=4 3491 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000210245_100012179268 [0,2,0,0,0,0|2,0,0]=4 3492 B10R0.55 C=C(C)COCCC(=O)NC 34a_100000754576_100000748629 [0,2,0,0,0,0|2,0,0]=4 3493 B10R0.55 C=C(C)COCCC(=O)OC 34a_100000210245_100000742370 [0,2,0,0,0,0|2,0,0]=4 3494 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000737683_100000211660 [0,2,0,0,0,0|2,0,0]=4 3495 B10R0.55 C=C(C)CSCCC(=O)NC 62a_100000748629_100000737683 [0,2,0,0,0,0|2,0,0]=4 3496 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000204255_100000211660 [0,2,0,0,0,0|2,0,0]=4 3497 B10R0.55 C=C(C)CSCCC(=O)OC 62a_100000748629_100000204255 [0,2,0,0,0,0|2,0,0]=4 3498 B10R0.55 C=C(C)CSCOC(=O)OC 62a_100000748629_100000139417 [0,2,0,0,0,0|1,0,0]=3 3499 B10R0.55 C=C(F)CNCCC(=O)NC 2230a_100000738227_100009893438 [0,2,0,0,0,0|2,0,0]=4 3500 B10R0.55 C=C(F)CNCCC(=O)NC 34a_100000738227_100009893438 [0,2,0,0,0,0|2,0,0]=4 3501 B10R0.55 C=C(F)COCCC(=O)NC 34a_100000754576_100009893438 [0,2,0,0,0,0|2,0,0]=4 3502 B10R0.55 C=C(F)COCCC(=O)NC 34a_200010262243_100012179268 [0,2,0,0,0,0|2,0,0]=4 3503 B10R0.55 C=C(F)COCCC(=O)OC 34a_200010262243_100000742370 [0,2,0,0,0,0|2,0,0]=4 3504 B10R0.55 C=C(F)CSCCC(=O)NC 62a_100000042424_100000737683 [0,2,0,0,0,0|2,0,0]=4 3505 B10R0.55 C=C(F)CSCCC(=O)NC 62a_100000737683_100000042424 [0,2,0,0,0,0|2,0,0]=4 3506 B10R0.55 C=C(F)CSCCC(=O)OC 62a_100000042424_100000204255 [0,2,0,0,0,0|2,0,0]=4 3507 B10R0.55 C=C(F)CSCCC(=O)OC 62a_100000204255_100000042424 [0,2,0,0,0,0|2,0,0]=4 3508 B10R0.55 C=C(F)CSCOC(=O)OC 62a_100000042424_100000139417 [0,2,0,0,0,0|1,0,0]=3 3509 B10R0.55 C=CC(=O)CCCCC(=O)C 1458a_100000185746_100000735457 [0,2,0,0,0,0|1,0,0]=3 3510 B10R0.55 C=CC(=O)CCCOC(=O)C 1458a_100000185746_100000042594 [0,2,0,0,0,0|0,0,0]=2 3511 B10R0.55 C=CC(=O)CCCOC(=S)C 1458a_100000185746_200135323944 [0,2,0,0,0,0|0,1,0]=3 3512 B10R0.55 C=CC(=O)CCCSC(=O)C 1458a_100000185746_100000038929 [0,2,0,0,0,0|0,1,0]=3 3513 B10R0.55 C=CC(=O)CCOCC(=O)N 1458a_100000185746_100000076697 [0,2,0,0,0,0|1,0,1]=4 3514 B10R0.55 C=CC(=O)NCCNC(=O)C 11a_114873766552_100015343762 [0,2,0,0,0,0|1,0,1]=4 3515 B10R0.55 C=CC(=O)NCCNC(=O)C 1626a_114873766552_100015343762 [0,2,0,0,0,0|1,0,1]=4 3516 B10R0.55 C=CC(=O)NCCNC(=O)C 240690a_100000209853_200121576911 [0,2,0,0,0,0|1,0,1]=4 3517 B10R0.55 C=CC(=O)NCCNC(=O)C 527a_114873766552_100103153847 [0,2,0,0,0,0|1,0,1]=4 3518 B10R0.55 C=CC(=O)NCCOC(=O)C 240690a_100000724843_200121576911 [0,2,0,0,0,0|0,0,1]=3 3519 B10R0.55 C=CC(=O)NCCSC(=O)C 240690a_100020647217_200121576911 [0,2,0,0,0,0|0,1,1]=4 3520 B10R0.55 C=CC(C)COCC=C(C)C 34a_100011215527_100000761012 [0,2,0,0,0,0|2,0,0]=4 3521 B10R0.55 C=CC(C)COCC=C(C)C 7a_100011215527_100000761012 [0,2,0,0,0,0|2,0,0]=4 3522 B10R0.55 C=CC(C)COCCC(=C)C 34a_100011215527_100000730704 [0,2,0,0,0,0|2,0,0]=4 3523 B10R0.55 C=CC(C)COCCC(=C)C 7a_100011215527_100000730704 [0,2,0,0,0,0|2,0,0]=4 3524 B10R0.55 C=CC(C)COCCC(=O)C 7a_100011215527_100000053229 [0,2,0,0,0,0|1,0,0]=3 3525 B10R0.55 C=CC(C)COCCC(=O)N 34a_100011215527_100000731001 [0,2,0,0,0,0|2,0,0]=4 3526 B10R0.55 C=CC(C)COCCC(=O)N 7a_100011215527_100000744528 [0,2,0,0,0,0|2,0,0]=4 3527 B10R0.55 C=CC(C)COCOC(=O)C 34a_100011215527_100009813279 [0,2,0,0,0,0|0,0,0]=2 3528 B10R0.55 C=CC(C)COCOC(C)C 34a_100011215527_100000709892 [0,2,0,0,0,0|1,0,1]=4 3529 B10R0.55 C=CC(C)OCCC=C(C)C 34a_100000695699_100011217483 [0,2,0,0,0,0|2,0,0]=4 3530 B10R0.55 C=CC(C)OCCCC(=O)C 34a_100000695699_100000685027 [0,2,0,0,0,0|1,0,0]=3 3531 B10R0.55 C=CC(C)OCCCC(=O)N 34a_100000695699_100102525003 [0,2,0,0,0,0|2,0,0]=4 3532 B10R0.55 C=CC(C)OCCOC(=O)C 34a_100000695699_100009814007 [0,2,0,0,0,0|0,0,0]=2 3533 B10R0.55 C=CC(C)OCCOC(=O)N 34a_100000695699_200011214921 [0,2,0,0,0,0|1,0,0]=3 3534 B10R0.55 C=CC(C)OCCOC(C)C 34a_100000695699_100000211751 [0,2,0,0,0,0|1,0,1]=4 3535 B10R0.55 C=CC(C)SCCC=C(C)C 62a_100011215867_100011217483 [0,2,0,0,0,0|2,0,0]=4 3536 B10R0.55 C=CC(C)SCCCC(=O)C 62a_100011215867_100011215641 [0,2,0,0,0,0|1,0,0]=3 3537 B10R0.55 C=CC(C)SCCCC(=O)N 62a_100011215867_100102525003 [0,2,0,0,0,0|2,0,0]=4 3538 B10R0.55 C=CC(C)SCCNC(=O)C 62a_100011215867_100000189650 [0,2,0,0,0,0|1,0,0]=3 3539 B10R0.55 C=CC(C)SCCNC(=O)N 62a_100011215867_200000034859 [0,2,0,0,0,0|2,0,0]=4 3540 B10R0.55 C=CC(C)SCCOC(=O)C 62a_100011215867_100009814007 [0,2,0,0,0,0|0,0,0]=2 3541 B10R0.55 C=CC(C)SCCOC(=O)N 62a_100011215867_200011214921 [0,2,0,0,0,0|1,0,0]=3 3542 B10R0.55 C=CC(C)SCCOC(C)C 62a_100011215867_100000211751 [0,2,0,0,0,0|1,0,1]=4 3543 B10R0.55 C=CC(O)CNCC=C(C)C 34a_100000718196_100000730141 [0,2,0,0,0,0|2,0,0]=4 3544 B10R0.55 C=CC(O)CNOCC(=O)O 269956a_100000106656_100000730141 [0,2,0,0,0,0|2,0,0]=4 3545 B10R0.55 C=CC(O)COCC=C(C)C 34a_100000753907_100000730141 [0,2,0,0,0,0|2,0,0]=4 3546 B10R0.55 C=CC(O)COCCC(=C)C 34a_100000764851_100000730141 [0,2,0,0,0,0|2,0,0]=4 3547 B10R0.55 C=CC(O)COCCC(=O)C 34a_100000759926_100000730141 [0,2,0,0,0,0|1,0,0]=3 3548 B10R0.55 C=CC(O)COCCC(=O)C 7a_100000759926_100000730141 [0,2,0,0,0,0|1,0,0]=3 3549 B10R0.55 C=CC(O)COCCC(=O)N 34a_100000757172_100000730141 [0,2,0,0,0,0|2,0,0]=4 3550 B10R0.55 C=CC(O)COCCC(=O)N 7a_100000757172_100000730141 [0,2,0,0,0,0|2,0,0]=4 3551 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000730141_100000761012 [0,2,0,0,0,0|2,0,0]=4 3552 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000761012_100000730141 [0,2,0,0,0,0|2,0,0]=4 3553 B10R0.55 C=CC(O)CSCCC(=C)C 62a_100000730141_100000730704 [0,2,0,0,0,0|2,0,0]=4 3554 B10R0.55 C=CC(O)CSCCC(=C)C 62a_100000730704_100000730141 [0,2,0,0,0,0|2,0,0]=4 3555 B10R0.55 C=CC(O)CSCCC(=O)C 62a_100000053229_100000730141 [0,2,0,0,0,0|1,0,0]=3 3556 B10R0.55 C=CC(O)CSCCC(=O)C 62a_100000730141_100000053229 [0,2,0,0,0,0|1,0,0]=3 3557 B10R0.55 C=CC(O)CSCCC(=O)N 62a_100000730141_100000744528 [0,2,0,0,0,0|2,0,0]=4 3558 B10R0.55 C=CC(O)CSCCC(=O)N 62a_100000744528_100000730141 [0,2,0,0,0,0|2,0,0]=4 3559 B10R0.55 C=CC(O)CSCOC(=O)C 62a_100000076356_100000730141 [0,2,0,0,0,0|0,0,0]=2 3560 B10R0.55 C=CC(O)CSCOC(=O)C 62a_100000730141_100000076356 [0,2,0,0,0,0|0,0,0]=2 3561 B10R0.55 C=CC(O)CSCOC(C)C 62a_100000709892_100000730141 [0,2,0,0,0,0|1,0,1]=4 3562 B10R0.55 C=CC(O)CSCOC(C)C 62a_100000730141_100000709892 [0,2,0,0,0,0|1,0,1]=4 3563 B10R0.55 C=C[C@H](N)COCC=C(C)C 34a_100016989147_100000761012 [0,2,0,0,0,0|2,0,0]=4 3564 B10R0.55 C=C[C@H](N)COCCC(=C)C 34a_100016989147_100000730704 [0,2,0,0,0,0|2,0,0]=4 3565 B10R0.55 C=C[C@H](N)COCCC(=O)N 34a_100016989147_100000731001 [0,2,0,0,0,0|2,0,0]=4 3566 B10R0.55 C=C[C@H](N)COCOC(=O)C 34a_100016989147_100009813279 [0,2,0,0,0,0|0,0,0]=2 3567 B10R0.55 C=C[C@H](N)COCOC(C)C 34a_100016989147_100000709892 [0,2,0,0,0,0|1,0,1]=4 3568 B10R0.55 CC(=O)CCCCC(=O)CO 1458a_100000210174_100000735457 [0,2,0,0,0,0|1,0,1]=4 3569 B10R0.55 CC(=O)NCCCC(=O)CF 1458a_100000194741_100015361967 [0,2,0,0,0,0|1,0,1]=4 3570 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,2,0,0,0,0|0,0,1]=3 3571 B10R0.55 CC(=O)OCCNC(=O)CO 240690a_100000724843_100000210174 [0,2,0,0,0,0|1,0,1]=4 3572 B10R0.55 CC(=O)OCCNC(=O)CO 527a_100000724843_100000210174 [0,2,0,0,0,0|1,0,1]=4 3573 B10R0.55 CC(=O)OCCOC(C)C#N 34a_100011218135_100009814007 [0,2,0,0,0,0|1,0,1]=4 3574 B10R0.55 CC(=O)OCCOC(C)CF 34a_100016041109_100009814007 [0,2,0,0,0,0|1,0,1]=4 3575 B10R0.55 CC(=O)OCCOC(C)CF 7a_100016041109_100009814007 [0,2,0,0,0,0|1,0,1]=4 3576 B10R0.55 CC(=O)OCCOC(C)CN 34a_100000210904_100009814007 [0,2,0,0,0,0|1,0,1]=4 3577 B10R0.55 CC(=O)OCCSC(C)C#N 62a_100000703298_100009814007 [0,2,0,0,0,0|1,0,1]=4 3578 B10R0.55 CC(=O)OCCSC(C)C#N 62a_100009814007_100000703298 [0,2,0,0,0,0|1,0,1]=4 3579 B10R0.55 CC(=O)OCCSC(C)CO 62a_100012180447_100009814007 [0,2,0,0,0,0|1,0,1]=4 3580 B10R0.55 CC(=O)OCCSC(F)C#N 62a_100009814007_200000117898 [0,2,0,0,0,0|1,0,1]=4 3581 B10R0.55 CC(=O)OCCSC(F)C#N 62a_200000117898_100009814007 [0,2,0,0,0,0|1,0,1]=4 3582 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100009814007_100016084084 [0,2,0,0,0,0|1,0,1]=4 3583 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100016084084_100009814007 [0,2,0,0,0,0|1,0,1]=4 3584 B10R0.55 CC(=O)OCNCC(C)CO 34a_100000744482_100009813279 [0,2,0,0,0,0|1,0,1]=4 3585 B10R0.55 CC(=O)OCNC[C@@H](F)CO 34a_100015665980_100009813279 [0,2,0,0,0,0|1,0,1]=4 3586 B10R0.55 CC(=O)OCOCC(C)CN 34a_100000744482_100009813279 [0,2,0,0,0,0|1,0,1]=4 3587 B10R0.55 CC(=O)OCOCC(Cl)CCl 34a_100000033668_100009813279 [0,2,0,0,0,0|1,0,1]=4 3588 B10R0.55 CC(=O)OCOC[C@H](F)CN 34a_100015665980_100009813279 [0,2,0,0,0,0|1,0,1]=4 3589 B10R0.55 CC(=O)OCSCC(O)CO 62a_100000076356_100011219619 [0,2,0,0,0,0|1,0,1]=4 3590 B10R0.55 CC(=O)OCSCC(O)CO 62a_100011219619_100000076356 [0,2,0,0,0,0|1,0,1]=4 3591 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000076356 [0,2,0,0,0,0|1,0,1]=4 3592 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000076356_100000059175 [0,2,0,0,0,0|1,0,1]=4 3593 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100000076356_100015614560 [0,2,0,0,0,0|1,0,1]=4 3594 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000076356 [0,2,0,0,0,0|1,0,1]=4 3595 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100000076356_100009815848 [0,2,0,0,0,0|1,0,1]=4 3596 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000076356 [0,2,0,0,0,0|1,0,1]=4 3597 B10R0.55 CC(=O)SCCCC(=O)CO 1458a_100000210174_100000038929 [0,2,0,0,0,0|0,1,1]=4 3598 B10R0.55 CC(=S)OCCCC(=O)CO 1458a_100000210174_200135323944 [0,2,0,0,0,0|0,1,1]=4 3599 B10R0.55 CCC(=O)CCCCC(=O)C 1458a_100000210414_100000735457 [0,2,0,0,0,0|1,0,1]=4 3600 B10R0.55 CCC(=O)CCCNC(=O)C 1458a_100000194741_100000210202 [0,2,0,0,0,0|1,0,1]=4 3601 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,2,0,0,0,0|0,0,1]=3 3602 B10R0.55 CCC(=O)CCCOC(=S)C 1458a_100000210414_200135323944 [0,2,0,0,0,0|0,1,1]=4 3603 B10R0.55 CCC(=O)CCCSC(=O)C 1458a_100000210414_100000038929 [0,2,0,0,0,0|0,1,1]=4 3604 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [0,2,0,0,0,0|1,0,1]=4 3605 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [0,2,0,0,0,0|1,0,1]=4 3606 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [0,2,0,0,0,0|1,0,1]=4 3607 B10R0.55 CCC(=O)NCCCC(=O)N 240690a_100000739312_100000210414 [0,2,0,0,0,0|2,0,0]=4 3608 B10R0.55 CCC(=O)NCCCC(=O)N 527a_100000739312_100000210414 [0,2,0,0,0,0|2,0,0]=4 3609 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,2,0,0,0,0|1,0,1]=4 3610 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,2,0,0,0,0|1,0,1]=4 3611 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,2,0,0,0,0|1,0,1]=4 3612 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [0,2,0,0,0,0|0,0,2]=4 3613 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [0,2,0,0,0,0|0,0,2]=4 3614 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,2,0,0,0,0|0,0,2]=4 3615 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,2,0,0,0,0|0,0,2]=4 3616 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,2,0,0,0,0|0,0,2]=4 3617 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [0,2,0,0,0,0|0,0,2]=4 3618 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [0,2,0,0,0,0|0,0,2]=4 3619 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [0,2,0,0,0,0|0,0,2]=4 3620 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [0,2,0,0,0,0|0,0,2]=4 3621 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [0,2,0,0,0,0|0,0,2]=4 3622 B10R0.55 CNC(=O)CCCNC(=O)C 11a_100000740002_100015343762 [0,2,0,0,0,0|1,0,1]=4 3623 B10R0.55 CNC(=O)CCCNC(=O)C 11a_106832991635_100000194741 [0,2,0,0,0,0|1,0,1]=4 3624 B10R0.55 CNC(=O)CCCNC(=O)C 1626a_100102657272_100000194741 [0,2,0,0,0,0|1,0,1]=4 3625 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100000740002_100015343762 [0,2,0,0,0,0|1,0,1]=4 3626 B10R0.55 CNC(=O)CCCNC(=O)C 240690a_100102657272_100000194741 [0,2,0,0,0,0|1,0,1]=4 3627 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100000740002_100103153847 [0,2,0,0,0,0|1,0,1]=4 3628 B10R0.55 CNC(=O)CCCNC(=O)C 527a_100102657272_100000194741 [0,2,0,0,0,0|1,0,1]=4 3629 B10R0.55 CNC(=O)COCOC(=O)C 34a_100000750040_100009813279 [0,2,0,0,0,0|1,0,1]=4 3630 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000076356_100000183359 [0,2,0,0,0,0|1,0,1]=4 3631 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000183359_100000076356 [0,2,0,0,0,0|1,0,1]=4 3632 B10R0.55 CNC(=O)NCCCC(=O)N 273464a_100000739312_100102657272 [0,2,0,0,0,0|2,0,0]=4 3633 B10R0.55 CNC(=O)NCCCC(=O)N 273464a_100102657272_100000739312 [0,2,0,0,0,0|2,0,0]=4 3634 B10R0.55 CNC(=O)NCCCC(=O)N 512a_100000739312_100102657272 [0,2,0,0,0,0|2,0,0]=4 3635 B10R0.55 CNC(=O)NCCCC(=O)N 512a_106832991638_100000739312 [0,2,0,0,0,0|2,0,0]=4 3636 B10R0.55 CNC(=O)NCCOC(=O)C 2708a_100102657272_100000724843 [0,2,0,0,0,0|1,0,1]=4 3637 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100000724843_100102657272 [0,2,0,0,0,0|1,0,1]=4 3638 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100102657272_100000724843 [0,2,0,0,0,0|1,0,1]=4 3639 B10R0.55 CNC(=O)NCCOC(=O)C 512a_100000724843_100102657272 [0,2,0,0,0,0|1,0,1]=4 3640 B10R0.55 CNC(=O)NCCOC(=O)C 512a_106832991638_100000724843 [0,2,0,0,0,0|1,0,1]=4 3641 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000070787_100000204269 [0,2,0,0,0,0|1,0,1]=4 3642 B10R0.55 COC(=O)CCCCC(=O)C 1458a_100000695723_200000210301 [0,2,0,0,0,0|1,0,1]=4 3643 B10R0.55 COC(=O)CCCCC(=O)[13CH3] 1458a_100000695723_200025704644 [0,2,0,0,0,0|1,0,1]=4 3644 B10R0.55 COC(=O)CCCNC(=O)C 188690a_100000184769_100015343762 [0,2,0,0,0,0|1,0,1]=4 3645 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000076356_100000747449 [0,2,0,0,0,0|1,0,1]=4 3646 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000747449_100000076356 [0,2,0,0,0,0|1,0,1]=4 3647 B10R0.55 COC(=O)NCCCC(=O)C 1458a_100000753017_200000210301 [0,2,0,0,0,0|1,0,1]=4 3648 B10R0.55 COC(=O)NCCCC(=O)[13CH3] 1458a_100000753017_200025704644 [0,2,0,0,0,0|1,0,1]=4 3649 B10R0.55 COC(=O)OCSCC(=O)N 62a_100000747473_100000139417 [0,2,0,0,0,0|2,0,0]=4 3650 B10R0.55 COC(=O)OCSCC(=O)[O-] 62a_100020667443_100000139417 [0,2,0,0,0,0|2,0,0]=4 3651 B10R0.55 COC(C)COCOC(=O)C 34a_100000690652_100009813279 [0,2,0,0,0,0|1,0,1]=4 3652 B10R0.55 COC(C)SCCOC(=O)C 62a_100009814007_100009879195 [0,2,0,0,0,0|1,0,1]=4 3653 B10R0.55 COC(C)SCCOC(=O)C 62a_100009879195_100009814007 [0,2,0,0,0,0|1,0,1]=4 3654 B10R0.55 NC(=O)CCCNC(=O)CO 240690a_100000739312_100000210174 [0,2,0,0,0,0|2,0,0]=4 3655 B10R0.55 NC(=O)CCCNC(=O)CO 527a_100000739312_100000210174 [0,2,0,0,0,0|2,0,0]=4 3656 B10R0.74 C#C/C(=C\COCCC=C)/C 34a_100016990848_100000754431 [0,2,0,0,0,0|2,0,0]=4 3657 B10R0.74 C#CC(=O)CCCCCC=C 1458a_100000211873_100000700193 [0,2,0,0,0,0|1,0,1]=4 3658 B10R0.74 C#CC(C)OCCCC=CC 34a_100020645299_200000035995 [0,2,0,0,0,0|1,0,1]=4 3659 B10R0.74 C#CC(C)OCCCCC=C 34a_100000766645_200000035995 [0,2,0,0,0,0|1,0,1]=4 3660 B10R0.74 C#CC(C)OCCOCC=C 34a_100000037705_200000035995 [0,2,0,0,0,0|1,0,1]=4 3661 B10R0.74 C#CCCCOCC(=O)CC 34a_100000725409_100000695029 [0,2,0,0,0,0|0,0,2]=4 3662 B10R0.74 C#CCCCOCC(=O)CC 7a_100000215630_100000747405 [0,2,0,0,0,0|0,0,2]=4 3663 B10R0.74 C#CCCCOCC(=O)NC 34a_100000215630_100000183359 [0,2,0,0,0,0|0,0,2]=4 3664 B10R0.74 C#CCCCOCC(=O)NC 34a_100000750040_100000695029 [0,2,0,0,0,0|0,0,2]=4 3665 B10R0.74 C#CCCCOCC(=O)NC 7a_100000215630_100000183359 [0,2,0,0,0,0|0,0,2]=4 3666 B10R0.74 C#CCCCOCC(=O)OC 34a_100000215630_100000747449 [0,2,0,0,0,0|0,0,2]=4 3667 B10R0.74 C#CCCCOCC(=O)OC 7a_100000215630_100000747449 [0,2,0,0,0,0|0,0,2]=4 3668 B10R0.74 C#CCCSCOC(=O)OC 62a_100000688953_100000139417 [0,2,0,0,0,0|0,0,2]=4 3669 B10R0.74 C#CCNCCOC(=O)NC 34a_100000212058_200011997002 [0,2,0,0,0,0|0,0,2]=4 3670 B10R0.74 C#CCOCCOC(=O)CC 7a_200000031056_100000038162 [0,2,0,0,0,0|0,0,2]=4 3671 B10R0.74 C#CCOCCOC(=O)NC 34a_100000210247_200011997002 [0,2,0,0,0,0|0,0,2]=4 3672 B10R0.74 C#CCOCCOC(=O)OC 34a_100010262106_100000184674 [0,2,0,0,0,0|0,0,2]=4 3673 B10R0.74 C#CCSCCOC(=O)NC 62a_100000038162_200011997002 [0,2,0,0,0,0|0,0,2]=4 3674 B10R0.74 C#C[C@@H](C)OCCCCC=C 34a_100009815206_100011215482 [0,2,0,0,0,0|1,0,1]=4 3675 B10R0.74 C#C[C@@H](C)OCCCCC=C 7a_100009815206_100011215482 [0,2,0,0,0,0|1,0,1]=4 3676 B10R0.74 C/C=C/CCOCC(=O)NC 34a_100016278192_100000183359 [0,2,0,0,0,0|0,0,2]=4 3677 B10R0.74 C/C=C/CCOCC(=O)OC 34a_100016278192_100000747449 [0,2,0,0,0,0|0,0,2]=4 3678 B10R0.74 C/C=C/CNCCC(=O)NC 34a_100000738227_100102629194 [0,2,0,0,0,0|2,0,0]=4 3679 B10R0.74 C/C=C/COCCC(=O)NC 34a_100000754576_100102629194 [0,2,0,0,0,0|2,0,0]=4 3680 B10R0.74 C/C=C/COCCC(=O)NC 34a_100016270725_100012179268 [0,2,0,0,0,0|2,0,0]=4 3681 B10R0.74 C/C=C/COCCC(=O)OC 34a_100016270725_100000742370 [0,2,0,0,0,0|2,0,0]=4 3682 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100000737683_100102629194 [0,2,0,0,0,0|2,0,0]=4 3683 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100102629194_100000737683 [0,2,0,0,0,0|2,0,0]=4 3684 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100000204255_100102629194 [0,2,0,0,0,0|2,0,0]=4 3685 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100102629194_100000204255 [0,2,0,0,0,0|2,0,0]=4 3686 B10R0.74 C/C=C/CSCOC(=O)OC 62a_100102629194_100000139417 [0,2,0,0,0,0|1,0,0]=3 3687 B10R0.74 C=CC(=O)OCCSCC=O 62a_100009813456_200015260668 [0,2,0,0,0,0|1,0,1]=4 3688 B10R0.74 C=CC(=O)OCCSCC=O 62a_200015260668_100009813456 [0,2,0,0,0,0|1,0,1]=4 3689 B10R0.74 C=CCCC=NNC(=O)CC 4a_100000183195_100011216789 [0,2,0,0,0,0|1,0,1]=4 3690 B10R0.74 C=CCCCCCC(=O)C=C 1458a_100000185746_100000700193 [0,2,0,0,0,0|1,0,1]=4 3691 B10R0.74 C=CCCCCCC(=O)CC 1458a_100000210414_100000700193 [0,2,0,0,0,0|1,0,0]=3 3692 B10R0.74 C=CCCCCCC(=O)CC 1458a_100011934241_100000210202 [0,2,0,0,0,0|1,0,0]=3 3693 B10R0.74 C=CCCCCCC(=O)CF 1458a_100011934241_100015361967 [0,2,0,0,0,0|1,0,0]=3 3694 B10R0.74 C=CCCCCCC(=O)CO 1458a_100000210174_100000700193 [0,2,0,0,0,0|1,0,0]=3 3695 B10R0.74 C=CCCCCCC(=O)NC 11a_106832991635_100011934241 [0,2,0,0,0,0|1,0,0]=3 3696 B10R0.74 C=CCCCCCC(=O)NC 1626a_100102657272_100011934241 [0,2,0,0,0,0|1,0,0]=3 3697 B10R0.74 C=CCCCCCC(=O)NC 240690a_100102657272_100011934241 [0,2,0,0,0,0|1,0,0]=3 3698 B10R0.74 C=CCCCCCC(=O)NC 527a_100102657272_100011934241 [0,2,0,0,0,0|1,0,0]=3 3699 B10R0.74 C=CCCCCNC(=O)C=C 1626a_100000703577_100000185746 [0,2,0,0,0,0|1,0,1]=4 3700 B10R0.74 C=CCCCCNC(=O)C=C 240690a_100000703577_200121576911 [0,2,0,0,0,0|1,0,1]=4 3701 B10R0.74 C=CCCCCNC(=O)CC 11a_100000703577_100000210414 [0,2,0,0,0,0|1,0,0]=3 3702 B10R0.74 C=CCCCCNC(=O)CC 1626a_100000703577_100000210414 [0,2,0,0,0,0|1,0,0]=3 3703 B10R0.74 C=CCCCCNC(=O)CC 240690a_100000703577_100000210414 [0,2,0,0,0,0|1,0,0]=3 3704 B10R0.74 C=CCCCCNC(=O)CC 527a_100000703577_100000210414 [0,2,0,0,0,0|1,0,0]=3 3705 B10R0.74 C=CCCCCNC(=O)CO 240690a_100000703577_100000210174 [0,2,0,0,0,0|1,0,0]=3 3706 B10R0.74 C=CCCCCNC(=O)CO 527a_100000703577_100000210174 [0,2,0,0,0,0|1,0,0]=3 3707 B10R0.74 C=CCCCCNC(=O)NC 2708a_100000703577_106832991635 [0,2,0,0,0,0|1,0,0]=3 3708 B10R0.74 C=CCCCCNC(=O)NC 2708a_100102657272_100000703577 [0,2,0,0,0,0|1,0,0]=3 3709 B10R0.74 C=CCCCCNC(=O)NC 273464a_100000703577_100102657272 [0,2,0,0,0,0|1,0,0]=3 3710 B10R0.74 C=CCCCCNC(=O)NC 273464a_100102657272_100000703577 [0,2,0,0,0,0|1,0,0]=3 3711 B10R0.74 C=CCCCCNC(=O)NC 512a_100000703577_100102657272 [0,2,0,0,0,0|1,0,0]=3 3712 B10R0.74 C=CCCCCNC(=O)NC 512a_106832991638_100000703577 [0,2,0,0,0,0|1,0,0]=3 3713 B10R0.74 C=CCCCCOC(C)C#N 34a_100011218135_100011215482 [0,2,0,0,0,0|1,0,1]=4 3714 B10R0.74 C=CCCCCOC(C)C#N 7a_100000766645_100000703298 [0,2,0,0,0,0|1,0,1]=4 3715 B10R0.74 C=CCCCCOC(C)C=C 34a_100000695699_100011215482 [0,2,0,0,0,0|1,0,1]=4 3716 B10R0.74 C=CCCCCOC(C)CC 34a_100000766645_100011215416 [0,2,0,0,0,0|1,0,1]=4 3717 B10R0.74 C=CCCCCOC(C)CC 7a_100000210228_100011215482 [0,2,0,0,0,0|1,0,1]=4 3718 B10R0.74 C=CCCCCOC(C)CC 7a_100000766645_100000758301 [0,2,0,0,0,0|1,0,1]=4 3719 B10R0.74 C=CCCCCOC(C)CF 34a_100016041109_100011215482 [0,2,0,0,0,0|1,0,1]=4 3720 B10R0.74 C=CCCCCOC(C)CF 7a_100016041109_100011215482 [0,2,0,0,0,0|1,0,1]=4 3721 B10R0.74 C=CCCCCOC(C)CN 34a_100000210904_100011215482 [0,2,0,0,0,0|1,0,1]=4 3722 B10R0.74 C=CCCCCOC(C)CO 34a_100000766645_100012180447 [0,2,0,0,0,0|0,0,2]=4 3723 B10R0.74 C=CCCCCOC(C)CO 7a_100000766645_100012180447 [0,2,0,0,0,0|0,0,2]=4 3724 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000693194_100011713584 [0,2,0,0,0,0|1,0,0]=3 3725 B10R0.74 C=CCCCNCC(=O)NC 2230a_100000700776_100000183359 [0,2,0,0,0,0|1,0,0]=3 3726 B10R0.74 C=CCCCNCC(=O)NC 34a_100000700776_100000183359 [0,2,0,0,0,0|1,0,0]=3 3727 B10R0.74 C=CCCCNCC(=O)OC 2230a_100000700776_100000747449 [0,2,0,0,0,0|1,0,0]=3 3728 B10R0.74 C=CCCCNCC(=O)OC 34a_100000700776_100000747449 [0,2,0,0,0,0|1,0,0]=3 3729 B10R0.74 C=CCCCOCC(=C)C#N 34a_100000758997_100000694840 [0,2,0,0,0,0|1,0,1]=4 3730 B10R0.74 C=CCCCOCC(=O)CC 34a_100000725409_100000757094 [0,2,0,0,0,0|0,0,0]=2 3731 B10R0.74 C=CCCCOCC(=O)CC 7a_100000758997_100000747405 [0,2,0,0,0,0|0,0,0]=2 3732 B10R0.74 C=CCCCOCC(=O)NC 34a_100000750040_100000757094 [0,2,0,0,0,0|0,0,0]=2 3733 B10R0.74 C=CCCCOCC(=O)NC 34a_100000758997_100000183359 [0,2,0,0,0,0|0,0,0]=2 3734 B10R0.74 C=CCCCOCC(=O)NC 7a_100000758997_100000183359 [0,2,0,0,0,0|0,0,0]=2 3735 B10R0.74 C=CCCCOCC(=O)OC 34a_100000758997_100000747449 [0,2,0,0,0,0|0,0,0]=2 3736 B10R0.74 C=CCCCOCC(=O)OC 7a_100000758997_100000747449 [0,2,0,0,0,0|0,0,0]=2 3737 B10R0.74 C=CCCCOCC(C)C=C 34a_100011215527_100000757094 [0,2,0,0,0,0|1,0,1]=4 3738 B10R0.74 C=CCCCOCC(C)C=C 7a_100011215527_100000757094 [0,2,0,0,0,0|1,0,1]=4 3739 B10R0.74 C=CCCCOCC(C)CC 34a_100000758997_100000748023 [0,2,0,0,0,0|1,0,1]=4 3740 B10R0.74 C=CCCCOCC(C)CC 7a_100000758997_100000748023 [0,2,0,0,0,0|1,0,1]=4 3741 B10R0.74 C=CCCCOCC(C)CN 34a_100000744482_100000757094 [0,2,0,0,0,0|1,0,1]=4 3742 B10R0.74 C=CCCCOCC(C)OC 34a_100000690652_100000757094 [0,2,0,0,0,0|0,0,2]=4 3743 B10R0.74 C=CCCCOCC(Cl)CCl 34a_100000033668_100000757094 [0,2,0,0,0,0|1,0,1]=4 3744 B10R0.74 C=CCCCOCC(O)CC 34a_100000758997_100011218378 [0,2,0,0,0,0|0,0,2]=4 3745 B10R0.74 C=CCCCOCC(O)CC 7a_100000758997_100011218378 [0,2,0,0,0,0|0,0,2]=4 3746 B10R0.74 C=CCCCOCC(O)CO 34a_100000758997_100011219619 [0,2,0,0,0,0|0,0,2]=4 3747 B10R0.74 C=CCCCOCC(O)CO 7a_100000758997_100011219619 [0,2,0,0,0,0|0,0,2]=4 3748 B10R0.74 C=CCCCOC[C@@H](C)CC 34a_100000758997_100009816398 [0,2,0,0,0,0|1,0,1]=4 3749 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100000758997_100009816398 [0,2,0,0,0,0|1,0,1]=4 3750 B10R0.74 C=CCCCOC[C@@H](C)CC 7a_100009816381_100000757094 [0,2,0,0,0,0|1,0,1]=4 3751 B10R0.74 C=CCCCOC[C@@H](C)CO 34a_100000758997_100000059175 [0,2,0,0,0,0|0,0,2]=4 3752 B10R0.74 C=CCCCOC[C@@H](C)CO 7a_100000758997_100000059175 [0,2,0,0,0,0|0,0,2]=4 3753 B10R0.74 C=CCCCOC[C@@H](O)CF 34a_100000758997_100015614560 [0,2,0,0,0,0|0,0,2]=4 3754 B10R0.74 C=CCCCOC[C@@H](O)CF 7a_100000758997_100015614560 [0,2,0,0,0,0|0,0,2]=4 3755 B10R0.74 C=CCCCOC[C@@H](O)CO 34a_100000758997_100009815848 [0,2,0,0,0,0|0,0,2]=4 3756 B10R0.74 C=CCCCOC[C@@H](O)CO 7a_100000758997_100009815848 [0,2,0,0,0,0|0,0,2]=4 3757 B10R0.74 C=CCCCOC[C@H](F)CN 34a_100015665980_100000757094 [0,2,0,0,0,0|1,0,1]=4 3758 B10R0.74 C=CCCCSCC(=O)CC 62a_100000747405_100000757094 [0,2,0,0,0,0|0,1,0]=3 3759 B10R0.74 C=CCCCSCC(=O)CC 62a_100011713584_100000747405 [0,2,0,0,0,0|0,1,0]=3 3760 B10R0.74 C=CCCCSCC(=O)NC 62a_100000183359_100000757094 [0,2,0,0,0,0|0,1,0]=3 3761 B10R0.74 C=CCCCSCC(=O)NC 62a_100011713584_100000183359 [0,2,0,0,0,0|0,1,0]=3 3762 B10R0.74 C=CCCCSCC(=O)OC 62a_100000747449_100000757094 [0,2,0,0,0,0|0,1,0]=3 3763 B10R0.74 C=CCCCSCC(=O)OC 62a_100011713584_100000747449 [0,2,0,0,0,0|0,1,0]=3 3764 B10R0.74 C=CCCNCCC(=O)NC 2230a_100000738227_100000754431 [0,2,0,0,0,0|1,0,0]=3 3765 B10R0.74 C=CCCNCCC(=O)NC 2230a_100015191253_100000737683 [0,2,0,0,0,0|1,0,0]=3 3766 B10R0.74 C=CCCNCCC(=O)NC 34a_100000738227_100000754431 [0,2,0,0,0,0|1,0,0]=3 3767 B10R0.74 C=CCCNCCC(=O)OC 2230a_100015191253_100000204255 [0,2,0,0,0,0|1,0,0]=3 3768 B10R0.74 C=CCCOCCC(=O)NC 34a_100000754576_100000754431 [0,2,0,0,0,0|1,0,0]=3 3769 B10R0.74 C=CCCOCCC(=O)NC 34a_100011205117_100012179268 [0,2,0,0,0,0|1,0,0]=3 3770 B10R0.74 C=CCCOCCC(=O)OC 34a_100011205117_100000742370 [0,2,0,0,0,0|1,0,0]=3 3771 B10R0.74 C=CCCSCCC(=O)NC 62a_100000737683_100000754431 [0,2,0,0,0,0|1,0,0]=3 3772 B10R0.74 C=CCCSCCC(=O)NC 62a_100000754431_100000737683 [0,2,0,0,0,0|1,0,0]=3 3773 B10R0.74 C=CCCSCCC(=O)OC 62a_100000204255_100000754431 [0,2,0,0,0,0|1,0,0]=3 3774 B10R0.74 C=CCCSCCC(=O)OC 62a_100000754431_100000204255 [0,2,0,0,0,0|1,0,0]=3 3775 B10R0.74 C=CCCSCOC(=O)OC 62a_100000754431_100000139417 [0,2,0,0,0,0|0,0,0]=2 3776 B10R0.74 C=CCNC/C=C/C(=O)OC 2230a_100020586998_100000742655 [0,2,0,0,0,0|1,0,1]=4 3777 B10R0.74 C=CCNCCCC(=O)NC 2230a_100000740002_100000210623 [0,2,0,0,0,0|1,0,0]=3 3778 B10R0.74 C=CCNCCCC(=O)NC 2230a_100020586998_100000741757 [0,2,0,0,0,0|1,0,0]=3 3779 B10R0.74 C=CCNCCCC(=O)NC 34a_100000740002_100015514636 [0,2,0,0,0,0|1,0,0]=3 3780 B10R0.74 C=CCNCCCC(=O)OC 2230a_100020586998_100011218270 [0,2,0,0,0,0|1,0,0]=3 3781 B10R0.74 C=CCNCCNC(=O)C=C 2230a_114873766552_100000210623 [0,2,0,0,0,0|1,0,1]=4 3782 B10R0.74 C=CCNCCNC(=O)CC 34a_100132302217_100015514636 [0,2,0,0,0,0|1,0,0]=3 3783 B10R0.74 C=CCNCCNC(=O)NC 34a_100015205895_100015514636 [0,2,0,0,0,0|1,0,0]=3 3784 B10R0.74 C=CCNCCOC(=O)C=C 2230a_100020586998_100009813456 [0,2,0,0,0,0|0,0,1]=3 3785 B10R0.74 C=CCOC/C=C/C(=O)OC 34a_200000210373_100000742655 [0,2,0,0,0,0|1,0,1]=4 3786 B10R0.74 C=CCOCCCC(=O)NC 34a_200000210373_100000741757 [0,2,0,0,0,0|1,0,0]=3 3787 B10R0.74 C=CCOCCCC(=O)NN 34a_100000211488_100015514636 [0,2,0,0,0,0|2,0,0]=4 3788 B10R0.74 C=CCOCCCC(=O)OC 34a_200000210373_100000742333 [0,2,0,0,0,0|1,0,0]=3 3789 B10R0.74 C=CCOCCNC(=O)C=C 34a_100011304386_100015514636 [0,2,0,0,0,0|1,0,1]=4 3790 B10R0.74 C=CCOCCNC(=O)CC 34a_200000158885_100015514636 [0,2,0,0,0,0|1,0,0]=3 3791 B10R0.74 C=CCOCCNC(=O)CC 7a_200000158885_100015514636 [0,2,0,0,0,0|1,0,0]=3 3792 B10R0.74 C=CCOCCNC(=O)OC 34a_100000757965_100015514636 [0,2,0,0,0,0|1,0,0]=3 3793 B10R0.74 C=CCOCCOC(=O)C=C 34a_200000210373_100009813456 [0,2,0,0,0,0|0,0,1]=3 3794 B10R0.74 C=CCOCCOC(=O)CC 7a_200000031056_100015514636 [0,2,0,0,0,0|0,0,0]=2 3795 B10R0.74 C=CCOCCOC(=O)NC 34a_200000210373_200011997002 [0,2,0,0,0,0|0,0,0]=2 3796 B10R0.74 C=CCOCCOC(=O)OC 34a_100010262106_100015514636 [0,2,0,0,0,0|0,0,0]=2 3797 B10R0.74 C=CCOCCOC(C)C#N 7a_100000037705_100000703298 [0,2,0,0,0,0|1,0,1]=4 3798 B10R0.74 C=CCOCCOC(C)CC 34a_100000037705_100011215416 [0,2,0,0,0,0|1,0,1]=4 3799 B10R0.74 C=CCOCCOC(C)CC 7a_100000037705_100000758301 [0,2,0,0,0,0|1,0,1]=4 3800 B10R0.74 C=CCOCCOC(C)CO 34a_100000037705_100012180447 [0,2,0,0,0,0|0,0,2]=4 3801 B10R0.74 C=CCOCCOC(C)CO 7a_100000037705_100012180447 [0,2,0,0,0,0|0,0,2]=4 3802 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000210623_100000742655 [0,2,0,0,0,0|1,0,1]=4 3803 B10R0.74 C=CCSC/C=C/C(=O)OC 62a_100000742655_100000210623 [0,2,0,0,0,0|1,0,1]=4 3804 B10R0.74 C=CCSCCCC(=O)NC 62a_100000210623_100000741757 [0,2,0,0,0,0|1,0,0]=3 3805 B10R0.74 C=CCSCCCC(=O)NC 62a_100000741757_100000210623 [0,2,0,0,0,0|1,0,0]=3 3806 B10R0.74 C=CCSCCCC(=O)OC 62a_100000210623_100011218270 [0,2,0,0,0,0|1,0,0]=3 3807 B10R0.74 C=CCSCCCC(=O)OC 62a_100011218270_100000210623 [0,2,0,0,0,0|1,0,0]=3 3808 B10R0.74 C=CCSCCOC(=O)C=C 62a_100000210623_100009813456 [0,2,0,0,0,0|0,0,1]=3 3809 B10R0.74 C=CCSCCOC(=O)C=C 62a_100009813456_100000210623 [0,2,0,0,0,0|0,0,1]=3 3810 B10R0.74 C=CCSCCOC(=O)NC 62a_100000210623_200011997002 [0,2,0,0,0,0|0,0,0]=2 3811 B10R0.74 C=CCSCCOC(=O)NC 62a_200011997002_100000210623 [0,2,0,0,0,0|0,0,0]=2 3812 B10R0.74 C=COCCCNC(=O)C=C 1626a_100000210767_100000185746 [0,2,0,0,0,0|1,0,1]=4 3813 B10R0.74 C=COCCCNC(=O)C=C 240690a_100000210767_200121576911 [0,2,0,0,0,0|1,0,1]=4 3814 B10R0.74 C=COCCCNC(=O)CC 11a_100000210767_100000210414 [0,2,0,0,0,0|1,0,0]=3 3815 B10R0.74 C=COCCCNC(=O)CC 1626a_100000210767_100000210414 [0,2,0,0,0,0|1,0,0]=3 3816 B10R0.74 C=COCCCNC(=O)CC 240690a_100000210767_100000210414 [0,2,0,0,0,0|1,0,0]=3 3817 B10R0.74 C=COCCCNC(=O)CC 527a_100000210767_100000210414 [0,2,0,0,0,0|1,0,0]=3 3818 B10R0.74 C=COCCCNC(=O)CO 240690a_100000210767_100000210174 [0,2,0,0,0,0|1,0,0]=3 3819 B10R0.74 C=COCCCNC(=O)CO 527a_100000210767_100000210174 [0,2,0,0,0,0|1,0,0]=3 3820 B10R0.74 C=COCCCNC(=O)NC 2708a_100000210767_106832991635 [0,2,0,0,0,0|1,0,0]=3 3821 B10R0.74 C=COCCCNC(=O)NC 2708a_100102657272_100000210767 [0,2,0,0,0,0|1,0,0]=3 3822 B10R0.74 C=COCCCNC(=O)NC 273464a_100000210767_100102657272 [0,2,0,0,0,0|1,0,0]=3 3823 B10R0.74 C=COCCCNC(=O)NC 273464a_100102657272_100000210767 [0,2,0,0,0,0|1,0,0]=3 3824 B10R0.74 C=COCCCNC(=O)NC 512a_100000210767_100102657272 [0,2,0,0,0,0|1,0,0]=3 3825 B10R0.74 C=COCCCNC(=O)NC 512a_106832991638_100000210767 [0,2,0,0,0,0|1,0,0]=3 3826 B10R0.74 C=COCCNCC(=O)NC 2230a_100000693194_100000039644 [0,2,0,0,0,0|2,0,0]=4 3827 B10R0.74 C=COCCOCC(=O)CC 34a_100000725409_100000039644 [0,2,0,0,0,0|1,0,0]=3 3828 B10R0.74 C=COCCOCC(=O)NC 34a_100000033082_100000183359 [0,2,0,0,0,0|1,0,0]=3 3829 B10R0.74 C=COCCOCC(=O)NC 34a_100000750040_100000039644 [0,2,0,0,0,0|1,0,0]=3 3830 B10R0.74 C=COCCOCC(=O)OC 34a_100000033082_100000747449 [0,2,0,0,0,0|1,0,0]=3 3831 B10R0.74 C=COCCSCC(=O)CC 62a_100000039644_100000747405 [0,2,0,0,0,0|1,1,0]=4 3832 B10R0.74 C=COCCSCC(=O)CC 62a_100000747405_100000039644 [0,2,0,0,0,0|1,1,0]=4 3833 B10R0.74 C=COCCSCC(=O)NC 62a_100000039644_100000183359 [0,2,0,0,0,0|1,1,0]=4 3834 B10R0.74 C=COCCSCC(=O)NC 62a_100000183359_100000039644 [0,2,0,0,0,0|1,1,0]=4 3835 B10R0.74 C=COCCSCC(=O)OC 62a_100000039644_100000747449 [0,2,0,0,0,0|1,1,0]=4 3836 B10R0.74 C=COCCSCC(=O)OC 62a_100000747449_100000039644 [0,2,0,0,0,0|1,1,0]=4 3837 B10R0.74 CC=CCCCOC(C)CC 34a_100020645299_100011215416 [0,2,0,0,0,0|1,0,1]=4 3838 B10R0.74 CC=CCCCOC(C)CO 34a_100020645299_100012180447 [0,2,0,0,0,0|0,0,2]=4 3839 B10R0.74 CC=CCNCCC(=O)NC 2230a_100000738227_100000070051 [0,2,0,0,0,0|2,0,0]=4 3840 B10R0.74 CC=CCNCCC(=O)NC 34a_100000738227_100000070051 [0,2,0,0,0,0|2,0,0]=4 3841 B10R0.74 CC=CCOCCC(=O)NC 34a_100000754576_100000070051 [0,2,0,0,0,0|2,0,0]=4 3842 B10R0.74 CC=CCSCCC(=O)NC 62a_100000070051_100000737683 [0,2,0,0,0,0|2,0,0]=4 3843 B10R0.74 CC=CCSCCC(=O)NC 62a_100000737683_100000070051 [0,2,0,0,0,0|2,0,0]=4 3844 B10R0.74 CC=CCSCCC(=O)OC 62a_100000070051_100000204255 [0,2,0,0,0,0|2,0,0]=4 3845 B10R0.74 CC=CCSCCC(=O)OC 62a_100000204255_100000070051 [0,2,0,0,0,0|2,0,0]=4 3846 B10R0.74 CC=CCSCOC(=O)OC 62a_100000070051_100000139417 [0,2,0,0,0,0|1,0,0]=3 3847 B10R0.74 CCC(=O)COCCCCCl 7a_100000210776_100000747405 [0,2,0,0,0,0|1,0,1]=4 3848 B10R0.74 CCC(=O)COCCCCF 34a_100000725409_100000729493 [0,2,0,0,0,0|1,0,1]=4 3849 B10R0.74 CCC(=O)COCCCCF 7a_100011995726_100000747405 [0,2,0,0,0,0|1,0,1]=4 3850 B10R0.74 CCC(=O)COCCCCO 34a_100000725409_100011216708 [0,2,0,0,0,0|1,0,1]=4 3851 B10R0.74 CCC(=O)COCCCOC 34a_100000725409_100000740836 [0,2,0,0,0,0|1,0,1]=4 3852 B10R0.74 CCC(=O)COCCCSC 7a_100000690336_100000747405 [0,2,0,0,0,0|1,0,1]=4 3853 B10R0.74 CCC(=O)CSCCCC=O 62a_100000747405_200011292268 [0,2,0,0,0,0|1,1,0]=4 3854 B10R0.74 CCC(=O)CSCCCC=O 62a_200011292268_100000747405 [0,2,0,0,0,0|1,1,0]=4 3855 B10R0.74 CCC(=O)NCCNCC=O 34a_100132302217_200009817547 [0,2,0,0,0,0|2,0,0]=4 3856 B10R0.74 CCC(=O)NCCOCC=O 34a_200000158885_200009817547 [0,2,0,0,0,0|2,0,0]=4 3857 B10R0.74 CCC(=O)NCCOCC=O 7a_200000158885_200015260668 [0,2,0,0,0,0|2,0,0]=4 3858 B10R0.74 CCC(=O)OCCOCC#N 7a_200000031056_100011215382 [0,2,0,0,0,0|1,0,1]=4 3859 B10R0.74 CCC(=O)OCCOCC=O 7a_200000031056_200015260668 [0,2,0,0,0,0|1,0,0]=3 3860 B10R0.74 CCC(=O)OCCOCCF 7a_200000031056_100011217306 [0,2,0,0,0,0|1,0,1]=4 3861 B10R0.74 CCC(=O)OCCOCCO 7a_200000031056_100000211926 [0,2,0,0,0,0|1,0,1]=4 3862 B10R0.74 CCCCCOCC(=O)CC 34a_100000725409_100000718602 [0,2,0,0,0,0|0,0,2]=4 3863 B10R0.74 CCCCCOCC(=O)CC 7a_100000210253_100000747405 [0,2,0,0,0,0|0,0,2]=4 3864 B10R0.74 CCCCCOCC(=O)NC 34a_100000210253_100000183359 [0,2,0,0,0,0|0,0,2]=4 3865 B10R0.74 CCCCCOCC(=O)NC 34a_100000750040_100000718602 [0,2,0,0,0,0|0,0,2]=4 3866 B10R0.74 CCCCCOCC(=O)NC 7a_100000210253_100000183359 [0,2,0,0,0,0|0,0,2]=4 3867 B10R0.74 CCCCCOCC(=O)OC 34a_100000210253_100000747449 [0,2,0,0,0,0|0,0,2]=4 3868 B10R0.74 CCCCCOCC(=O)OC 7a_100000210253_100000747449 [0,2,0,0,0,0|0,0,2]=4 3869 B10R0.74 CCCCSCOC(=O)OC 62a_100000210211_100000139417 [0,2,0,0,0,0|0,0,2]=4 3870 B10R0.74 CCCOCCOC(=O)CC 7a_200000031056_100000210303 [0,2,0,0,0,0|0,0,2]=4 3871 B10R0.74 CCCOCCOC(=O)NC 34a_100000210258_200011997002 [0,2,0,0,0,0|0,0,2]=4 3872 B10R0.74 CCCOCCOC(=O)OC 34a_100010262106_100000210303 [0,2,0,0,0,0|0,0,2]=4 3873 B10R0.74 CCCSCCOC(=O)NC 62a_100000210303_200011997002 [0,2,0,0,0,0|0,0,2]=4 3874 B10R0.74 CCCSCCOC(=O)NC 62a_200011997002_100000210303 [0,2,0,0,0,0|0,0,2]=4 3875 B10R0.74 CNC(=O)CCCNCC=O 2230a_100000740002_200015260668 [0,2,0,0,0,0|2,0,0]=4 3876 B10R0.74 CNC(=O)CCCNCC=O 34a_100000740002_200009817547 [0,2,0,0,0,0|2,0,0]=4 3877 B10R0.74 CNC(=O)CCCSCC=O 62a_100000741757_200015260668 [0,2,0,0,0,0|2,0,0]=4 3878 B10R0.74 CNC(=O)CCCSCC=O 62a_200015260668_100000741757 [0,2,0,0,0,0|2,0,0]=4 3879 B10R0.74 CNC(=O)CNCCCC=O 2230a_100000693194_200011292268 [0,2,0,0,0,0|2,0,0]=4 3880 B10R0.74 CNC(=O)COCCCCBr 34a_100011216708_100000183359 [0,2,0,0,0,0|1,0,1]=4 3881 B10R0.74 CNC(=O)COCCCCCl 34a_100000210776_100000183359 [0,2,0,0,0,0|1,0,1]=4 3882 B10R0.74 CNC(=O)COCCCCCl 7a_100000210776_100000183359 [0,2,0,0,0,0|1,0,1]=4 3883 B10R0.74 CNC(=O)COCCCCF 34a_100000750040_100000729493 [0,2,0,0,0,0|1,0,1]=4 3884 B10R0.74 CNC(=O)COCCCCF 34a_100011995726_100000183359 [0,2,0,0,0,0|1,0,1]=4 3885 B10R0.74 CNC(=O)COCCCCF 7a_100011995726_100000183359 [0,2,0,0,0,0|1,0,1]=4 3886 B10R0.74 CNC(=O)COCCCCI 34a_200012148704_100000183359 [0,2,0,0,0,0|1,0,1]=4 3887 B10R0.74 CNC(=O)COCCCCN 34a_100000750430_100000183359 [0,2,0,0,0,0|1,0,1]=4 3888 B10R0.74 CNC(=O)COCCCCO 34a_100000750040_100011216708 [0,2,0,0,0,0|1,0,1]=4 3889 B10R0.74 CNC(=O)COCCCOC 34a_100000740835_100000183359 [0,2,0,0,0,0|1,0,1]=4 3890 B10R0.74 CNC(=O)COCCCOC 34a_100000750040_100000740836 [0,2,0,0,0,0|1,0,1]=4 3891 B10R0.74 CNC(=O)COCCCSC 34a_100000690336_100000183359 [0,2,0,0,0,0|1,0,1]=4 3892 B10R0.74 CNC(=O)COCCCSC 7a_100000690336_100000183359 [0,2,0,0,0,0|1,0,1]=4 3893 B10R0.74 CNC(=O)CSCCCC=O 62a_100000183359_200011292268 [0,2,0,0,0,0|1,1,0]=4 3894 B10R0.74 CNC(=O)CSCCCC=O 62a_200011292268_100000183359 [0,2,0,0,0,0|1,1,0]=4 3895 B10R0.74 CNC(=O)NCCNCC=O 34a_100015205895_200009817547 [0,2,0,0,0,0|2,0,0]=4 3896 B10R0.74 CNC(=O)OCCNCCF 34a_100000724931_200011997002 [0,2,0,0,0,0|1,0,1]=4 3897 B10R0.74 CNC(=O)OCCNCCO 34a_100016990907_200011997002 [0,2,0,0,0,0|1,0,1]=4 3898 B10R0.74 CNC(=O)OCCOCCBr 34a_100000211926_200011997002 [0,2,0,0,0,0|1,0,1]=4 3899 B10R0.74 CNC(=O)OCCOCCN 34a_100000210304_200011997002 [0,2,0,0,0,0|1,0,1]=4 3900 B10R0.74 CNC(=O)OCCSCC#N 62a_100011215382_200011997002 [0,2,0,0,0,0|1,0,1]=4 3901 B10R0.74 CNC(=O)OCCSCC#N 62a_200011997002_100011215382 [0,2,0,0,0,0|1,0,1]=4 3902 B10R0.74 CNC(=O)OCCSCC=O 62a_200011997002_200015260668 [0,2,0,0,0,0|1,0,0]=3 3903 B10R0.74 CNC(=O)OCCSCC=O 62a_200015260668_200011997002 [0,2,0,0,0,0|1,0,0]=3 3904 B10R0.74 CNC(=O)OCCSCCF 62a_100011217306_200011997002 [0,2,0,0,0,0|1,0,1]=4 3905 B10R0.74 CNC(=O)OCCSCCF 62a_200011997002_100011217306 [0,2,0,0,0,0|1,0,1]=4 3906 B10R0.74 CNC(=O)OCCSCCO 62a_100000211926_200011997002 [0,2,0,0,0,0|1,0,1]=4 3907 B10R0.74 CNC(=O)OCCSCCO 62a_200011997002_100000211926 [0,2,0,0,0,0|1,0,1]=4 3908 B10R0.74 CNC(=O)OCCSCOC 62a_100000766300_200011997002 [0,2,0,0,0,0|1,0,1]=4 3909 B10R0.74 CNC(=O)OCCSCOC 62a_200011997002_100000766300 [0,2,0,0,0,0|1,0,1]=4 3910 B10R0.74 CNC(=O)OCCSCSC 62a_100011218213_200011997002 [0,2,0,0,0,0|1,0,1]=4 3911 B10R0.74 CNC(=O)OCCSCSC 62a_200011997002_100011218213 [0,2,0,0,0,0|1,0,1]=4 3912 B10R0.74 CNCCCOCC(=O)NC 34a_100000213112_100000183359 [0,2,0,0,0,0|1,0,1]=4 3913 B10R0.74 CNCCCOCC(=O)OC 34a_100000213112_100000747449 [0,2,0,0,0,0|1,0,1]=4 3914 B10R0.74 COC(=O)CCCSCC=O 62a_100011218270_200015260668 [0,2,0,0,0,0|2,0,0]=4 3915 B10R0.74 COC(=O)CCCSCC=O 62a_200015260668_100011218270 [0,2,0,0,0,0|2,0,0]=4 3916 B10R0.74 COC(=O)COCCCCBr 34a_100011216708_100000747449 [0,2,0,0,0,0|1,0,1]=4 3917 B10R0.74 COC(=O)COCCCCCl 34a_100000210776_100000747449 [0,2,0,0,0,0|1,0,1]=4 3918 B10R0.74 COC(=O)COCCCCCl 7a_100000210776_100000747449 [0,2,0,0,0,0|1,0,1]=4 3919 B10R0.74 COC(=O)COCCCCF 34a_100011995726_100000747449 [0,2,0,0,0,0|1,0,1]=4 3920 B10R0.74 COC(=O)COCCCCF 7a_100011995726_100000747449 [0,2,0,0,0,0|1,0,1]=4 3921 B10R0.74 COC(=O)COCCCCI 34a_200012148704_100000747449 [0,2,0,0,0,0|1,0,1]=4 3922 B10R0.74 COC(=O)COCCCCN 34a_100000750430_100000747449 [0,2,0,0,0,0|1,0,1]=4 3923 B10R0.74 COC(=O)COCCCSC 34a_100000690336_100000747449 [0,2,0,0,0,0|1,0,1]=4 3924 B10R0.74 COC(=O)COCCCSC 7a_100000690336_100000747449 [0,2,0,0,0,0|1,0,1]=4 3925 B10R0.74 COC(=O)CSCCCC=O 62a_100000747449_200011292268 [0,2,0,0,0,0|1,1,0]=4 3926 B10R0.74 COC(=O)CSCCCC=O 62a_200011292268_100000747449 [0,2,0,0,0,0|1,1,0]=4 3927 B10R0.74 COC(=O)NCCOCC=O 34a_100000757965_200009817547 [0,2,0,0,0,0|2,0,0]=4 3928 B10R0.74 COC(=O)OCCOCC=O 34a_100010262106_200009817547 [0,2,0,0,0,0|1,0,0]=3 3929 B10R0.74 COC(=O)OCCOCCF 34a_100010262106_100011217306 [0,2,0,0,0,0|1,0,1]=4 3930 B10R0.74 COC(=O)OCCOCCO 34a_100010262106_100000211926 [0,2,0,0,0,0|1,0,1]=4 3931 B10R0.74 COC(=O)OCCOCSC 34a_100010262106_100011218213 [0,2,0,0,0,0|1,0,1]=4 3932 B10R0.74 COC(=O)OCSCCC#N 62a_100011215226_100000139417 [0,2,0,0,0,0|1,0,1]=4 3933 B10R0.74 COC(=O)OCSCCCF 62a_100011934791_100000139417 [0,2,0,0,0,0|1,0,1]=4 3934 B10R0.74 COC(=O)OCSCCCO 62a_100011215043_100000139417 [0,2,0,0,0,0|1,0,1]=4 3935 B10R0.74 COC(=O)OCSCCSC 62a_100000212216_100000139417 [0,2,0,0,0,0|1,0,1]=4 3936 B10R0.74 COCCCOCC(=O)OC 34a_100000740835_100000747449 [0,2,0,0,0,0|1,0,1]=4 3937 B10R0.74 COCCSCOC(=O)OC 62a_100000233755_100000139417 [0,2,0,0,0,0|1,0,1]=4 3938 B10R0.75 C#CCCCOC(C)C(=O)C 34a_100000212229_100000695029 [0,2,0,0,0,0|0,0,2]=4 3939 B10R0.75 C#CCCCOC(C)C(=O)C 7a_100000215630_100000179758 [0,2,0,0,0,0|0,0,2]=4 3940 B10R0.75 C/C=C/COCC(=O)C(=O)C 34a_100016270725_100011261029 [0,2,0,0,0,0|2,0,0]=4 3941 B10R0.75 C/C=C/COCC(C)C(=O)C 34a_100000032740_100102629194 [0,2,0,0,0,0|2,0,0]=4 3942 B10R0.75 C/C=C/COCC(C)C(=O)C 7a_100000032740_100102629194 [0,2,0,0,0,0|2,0,0]=4 3943 B10R0.75 C/C=C/CSCC(=O)C(=O)C 62a_100011261029_100102629194 [0,2,0,0,0,0|2,0,0]=4 3944 B10R0.75 C/C=C/CSCC(=O)C(=O)C 62a_100102629194_100011261029 [0,2,0,0,0,0|2,0,0]=4 3945 B10R0.75 C=C(C)C(=O)OCCCOC 7a_100000032641_200000210301 [0,2,0,0,0,0|1,0,1]=4 3946 B10R0.75 C=C(C)C(=O)OCCCO[13CH3] 7a_100000032641_200025704644 [0,2,0,0,0,0|1,0,1]=4 3947 B10R0.75 C=CCCCCC(=O)C(=C)C 1458a_100000185857_100011215482 [0,2,0,0,0,0|1,0,0]=3 3948 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100000210198_100011215482 [0,2,0,0,0,0|1,0,0]=3 3949 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100011215552_100000210206 [0,2,0,0,0,0|1,0,0]=3 3950 B10R0.75 C=CCCCCC(=O)C(C)F 1458a_100000062450_100011215482 [0,2,0,0,0,0|1,0,0]=3 3951 B10R0.75 C=CCCCCC(=O)C(O)O 1458a_100000233687_100011215482 [0,2,0,0,0,0|1,0,0]=3 3952 B10R0.75 C=CCCCCC(=O)N(C)C 11a_100102631434_100011215552 [0,2,0,0,0,0|1,0,0]=3 3953 B10R0.75 C=CCCCCC(=O)N(C)C 1626a_100102631434_100011215552 [0,2,0,0,0,0|1,0,0]=3 3954 B10R0.75 C=CCCCCC(=O)N(C)C 240690a_100102631434_100011215552 [0,2,0,0,0,0|1,0,0]=3 3955 B10R0.75 C=CCCCCC(=O)N(C)C 527a_100102631434_100011215552 [0,2,0,0,0,0|1,0,0]=3 3956 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [0,2,0,0,0,0|1,0,0]=3 3957 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [0,2,0,0,0,0|1,0,0]=3 3958 B10R0.75 C=CCCCCN(C)C(=O)C 11a_100012000471_100015343762 [0,2,0,0,0,0|1,0,0]=3 3959 B10R0.75 C=CCCCCN(C)C(=O)C 1626a_100012000471_100015343762 [0,2,0,0,0,0|1,0,0]=3 3960 B10R0.75 C=CCCCCN(C)C(=O)C 240690a_100012000471_100015343762 [0,2,0,0,0,0|1,0,0]=3 3961 B10R0.75 C=CCCCCN(C)C(=O)C 527a_100012000471_100103153847 [0,2,0,0,0,0|1,0,0]=3 3962 B10R0.75 C=CCCCNC(=O)C(=C)Br 11a_100000700776_100009813364 [0,2,0,0,0,0|1,0,1]=4 3963 B10R0.75 C=CCCCNC(=O)C(=C)Br 1626a_100000700776_100009813364 [0,2,0,0,0,0|1,0,1]=4 3964 B10R0.75 C=CCCCNC(=O)C(=C)C 11a_100000700776_100000185857 [0,2,0,0,0,0|1,0,0]=3 3965 B10R0.75 C=CCCCNC(=O)C(=C)C 1626a_100000700776_100000185857 [0,2,0,0,0,0|1,0,0]=3 3966 B10R0.75 C=CCCCNC(=O)C(=C)Cl 11a_100000700776_100000039160 [0,2,0,0,0,0|1,0,1]=4 3967 B10R0.75 C=CCCCNC(=O)C(=C)Cl 1626a_100000700776_100000039160 [0,2,0,0,0,0|1,0,1]=4 3968 B10R0.75 C=CCCCNC(=O)C(=C)F 11a_100000700776_100000036797 [0,2,0,0,0,0|1,0,1]=4 3969 B10R0.75 C=CCCCNC(=O)C(=C)F 1626a_100000700776_100000036797 [0,2,0,0,0,0|1,0,1]=4 3970 B10R0.75 C=CCCCNC(=O)C(=O)N 240690a_100000700776_100011215815 [0,2,0,0,0,0|1,0,1]=4 3971 B10R0.75 C=CCCCNC(=O)C(C)C 11a_100000700776_100000210198 [0,2,0,0,0,0|1,0,0]=3 3972 B10R0.75 C=CCCCNC(=O)C(C)C 1626a_100000700776_100000210198 [0,2,0,0,0,0|1,0,0]=3 3973 B10R0.75 C=CCCCNC(=O)C(C)C 240690a_100000700776_100000210198 [0,2,0,0,0,0|1,0,0]=3 3974 B10R0.75 C=CCCCNC(=O)C(C)C 527a_100000700776_100000210198 [0,2,0,0,0,0|1,0,0]=3 3975 B10R0.75 C=CCCCNC(=O)C(C)F 11a_100000700776_100000062450 [0,2,0,0,0,0|1,0,0]=3 3976 B10R0.75 C=CCCCNC(=O)C(C)F 1626a_100000700776_100000062450 [0,2,0,0,0,0|1,0,0]=3 3977 B10R0.75 C=CCCCNC(=O)C(C)F 240690a_100000700776_100000062450 [0,2,0,0,0,0|1,0,0]=3 3978 B10R0.75 C=CCCCNC(=O)C(C)F 527a_100000700776_100000062450 [0,2,0,0,0,0|1,0,0]=3 3979 B10R0.75 C=CCCCNC(=O)C(F)F 11a_100000700776_100000210393 [0,2,0,0,0,0|1,0,0]=3 3980 B10R0.75 C=CCCCNC(=O)C(F)F 1626a_100000700776_100000210393 [0,2,0,0,0,0|1,0,0]=3 3981 B10R0.75 C=CCCCNC(=O)C(F)F 240690a_100000700776_100000210393 [0,2,0,0,0,0|1,0,0]=3 3982 B10R0.75 C=CCCCNC(=O)C(F)F 527a_100000700776_100000210393 [0,2,0,0,0,0|1,0,0]=3 3983 B10R0.75 C=CCCCNC(=O)C(O)O 240690a_100000700776_100000233687 [0,2,0,0,0,0|1,0,0]=3 3984 B10R0.75 C=CCCCNC(=O)N(C)C 2708a_100000700776_100102631434 [0,2,0,0,0,0|1,0,0]=3 3985 B10R0.75 C=CCCCNC(=O)[C@@H](C)O 240690a_100000700776_100000717761 [0,2,0,0,0,0|1,0,0]=3 3986 B10R0.75 C=CCCCNC(=O)[C@H](C)O 1626a_100000700776_217856618621 [0,2,0,0,0,0|1,0,0]=3 3987 B10R0.75 C=CCCCNC(=O)[C@H](C)O 240690a_100000700776_217856618621 [0,2,0,0,0,0|1,0,0]=3 3988 B10R0.75 C=CCCCNC(C)C(=C)C 269862a_100000700776_100011216138 [0,2,0,0,0,0|2,0,0]=4 3989 B10R0.75 C=CCCCNC(C)C(=O)C 2230a_100000700776_100009814033 [0,2,0,0,0,0|1,0,0]=3 3990 B10R0.75 C=CCCCNC(C)C(=O)N 2230a_100000700776_100000702099 [0,2,0,0,0,0|1,0,1]=4 3991 B10R0.75 C=CCCCNC(C)C(=O)N 34a_100000700776_100000702099 [0,2,0,0,0,0|1,0,1]=4 3992 B10R0.75 C=CCCCNC(F)C(=O)N 2230a_100000700776_100009813875 [0,2,0,0,0,0|2,0,0]=4 3993 B10R0.75 C=CCCCNC(F)C(=O)N 34a_100000700776_100009813875 [0,2,0,0,0,0|2,0,0]=4 3994 B10R0.75 C=CCCCNC(F)C(=O)[O-] 34a_100000700776_100020610796 [0,2,0,0,0,0|2,0,0]=4 3995 B10R0.75 C=CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011713584 [0,2,0,0,0,0|1,0,1]=4 3996 B10R0.75 C=CCCCN[C@H](C)C(=O)N 2230a_100000119354_100011713584 [0,2,0,0,0,0|1,0,1]=4 3997 B10R0.75 C=CCCCN[C@H](C)C(=O)N 34a_100000119354_100000757094 [0,2,0,0,0,0|1,0,1]=4 3998 B10R0.75 C=CCCCOC(C)C(=O)C 34a_100000212229_100000757094 [0,2,0,0,0,0|0,0,0]=2 3999 B10R0.75 C=CCCCOC(C)C(=O)C 7a_100000758997_100000179758 [0,2,0,0,0,0|0,0,0]=2 4000 B10R0.75 C=CCCCOC(C)C(=O)N 34a_100000758997_100000702099 [0,2,0,0,0,0|0,0,1]=3 4001 B10R0.75 C=CCCCOC(C)C(=O)N 7a_100000758997_100000702099 [0,2,0,0,0,0|0,0,1]=3 4002 B10R0.75 C=CCCCOC(C)C(C)C 7a_100000748068_100000757094 [0,2,0,0,0,0|1,0,1]=4 4003 B10R0.75 C=CCCCOC(F)C(=O)N 34a_100000758997_100009813875 [0,2,0,0,0,0|1,0,0]=3 4004 B10R0.75 C=CCCCOC(F)C(=O)N 7a_100000758997_100009813875 [0,2,0,0,0,0|1,0,0]=3 4005 B10R0.75 C=CCCCOC(F)C(=O)[O-] 34a_100000758997_100020610796 [0,2,0,0,0,0|1,0,0]=3 4006 B10R0.75 C=CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000757094 [0,2,0,0,0,0|0,0,1]=3 4007 B10R0.75 C=CCCCO[C@H](C)C(=O)N 34a_100000731257_100000757094 [0,2,0,0,0,0|0,0,1]=3 4008 B10R0.75 C=CCCCO[C@H](C)C(=O)N 7a_100000731257_100000757094 [0,2,0,0,0,0|0,0,1]=3 4009 B10R0.75 C=CCCCSC(C)C(=O)C 62a_100009814033_100000757094 [0,2,0,0,0,0|0,1,0]=3 4010 B10R0.75 C=CCCCSC(C)C(=O)C 62a_100011713584_100009814033 [0,2,0,0,0,0|0,1,0]=3 4011 B10R0.75 C=CCCCSC(C)C(=O)N 62a_100000702099_100000757094 [0,2,0,0,0,0|0,1,1]=4 4012 B10R0.75 C=CCCCSC(C)C(=O)N 62a_100011713584_100000702099 [0,2,0,0,0,0|0,1,1]=4 4013 B10R0.75 C=CCCCSC(F)C(=O)N 62a_100009813875_100000757094 [0,2,0,0,0,0|1,1,0]=4 4014 B10R0.75 C=CCCCSC(F)C(=O)N 62a_100011713584_100009813875 [0,2,0,0,0,0|1,1,0]=4 4015 B10R0.75 C=CCCCSC(F)C(=O)[O-] 62a_100011713584_100020610796 [0,2,0,0,0,0|1,1,0]=4 4016 B10R0.75 C=CCCCSC(F)C(=O)[O-] 62a_100020610796_100000757094 [0,2,0,0,0,0|1,1,0]=4 4017 B10R0.75 C=CCCNCC(=O)C(C)C 2230a_100015191253_100000753385 [0,2,0,0,0,0|2,0,0]=4 4018 B10R0.75 C=CCCNCC(=O)N(C)C 2230a_100015183351_100000754431 [0,2,0,0,0,0|2,0,0]=4 4019 B10R0.75 C=CCCNCC(=O)N(C)C 2230a_100015191253_100000185267 [0,2,0,0,0,0|2,0,0]=4 4020 B10R0.75 C=CCCNCC(C)C(=O)O 269956a_100000749485_100000754431 [0,2,0,0,0,0|2,0,0]=4 4021 B10R0.75 C=CCCNCC(F)C(=O)O 269956a_100000084737_100000754431 [0,2,0,0,0,0|2,0,0]=4 4022 B10R0.75 C=CCCOCC(=O)C(=O)C 34a_100011205117_100011261029 [0,2,0,0,0,0|1,0,0]=3 4023 B10R0.75 C=CCCOCC(=O)C(C)C 34a_100011205117_100000753385 [0,2,0,0,0,0|2,0,0]=4 4024 B10R0.75 C=CCCOCC(=O)N(C)C 34a_100011205117_100000692301 [0,2,0,0,0,0|2,0,0]=4 4025 B10R0.75 C=CCCOCC(C)C(=O)C 34a_100000032740_100000754431 [0,2,0,0,0,0|1,0,0]=3 4026 B10R0.75 C=CCCOCC(C)C(=O)C 7a_100000032740_100000754431 [0,2,0,0,0,0|1,0,0]=3 4027 B10R0.75 C=CCCOC[C@H](N)C(=O)N 34a_100000729942_100000754431 [0,2,0,0,0,0|2,0,0]=4 4028 B10R0.75 C=CCCSCC(=O)C(=O)C 62a_100000754431_100011261029 [0,2,0,0,0,0|1,0,0]=3 4029 B10R0.75 C=CCCSCC(=O)C(=O)C 62a_100011261029_100000754431 [0,2,0,0,0,0|1,0,0]=3 4030 B10R0.75 C=CCCSCC(=O)C(C)C 62a_100000753385_100000754431 [0,2,0,0,0,0|2,0,0]=4 4031 B10R0.75 C=CCCSCC(=O)C(C)C 62a_100000754431_100000753385 [0,2,0,0,0,0|2,0,0]=4 4032 B10R0.75 C=CCCSCC(=O)N(C)C 62a_100000692301_100000754431 [0,2,0,0,0,0|2,0,0]=4 4033 B10R0.75 C=CCCSCC(=O)N(C)C 62a_100000754431_100000692301 [0,2,0,0,0,0|2,0,0]=4 4034 B10R0.75 C=CCNCCC(=O)N(C)C 2230a_100000738053_100000210623 [0,2,0,0,0,0|2,0,0]=4 4035 B10R0.75 C=CCNCCC(=O)N(C)C 2230a_100020586998_100000737620 [0,2,0,0,0,0|2,0,0]=4 4036 B10R0.75 C=CCOCCC(=O)C(C)C 1458a_200011217002_100000210206 [0,2,0,0,0,0|2,0,0]=4 4037 B10R0.75 C=CCOCCC(=O)N(C)C 11a_100102631434_200011217002 [0,2,0,0,0,0|2,0,0]=4 4038 B10R0.75 C=CCOCCC(=O)N(C)C 1626a_100102631434_200011217002 [0,2,0,0,0,0|2,0,0]=4 4039 B10R0.75 C=CCOCCC(=O)N(C)C 240690a_100102631434_200011217002 [0,2,0,0,0,0|2,0,0]=4 4040 B10R0.75 C=CCOCCC(=O)N(C)C 34a_200000747469_100015514636 [0,2,0,0,0,0|2,0,0]=4 4041 B10R0.75 C=CCOCCC(=O)N(C)C 527a_100102631434_200011217002 [0,2,0,0,0,0|2,0,0]=4 4042 B10R0.75 C=CCSCCC(=O)N(C)C 62a_100000210623_100000737620 [0,2,0,0,0,0|2,0,0]=4 4043 B10R0.75 C=CCSCCC(=O)N(C)C 62a_100000737620_100000210623 [0,2,0,0,0,0|2,0,0]=4 4044 B10R0.75 C=CCSCOC(=O)C(C)C 62a_100000139345_100000210623 [0,2,0,0,0,0|1,0,0]=3 4045 B10R0.75 C=CCSCOC(=O)C(C)C 62a_100000210623_100000139345 [0,2,0,0,0,0|1,0,0]=3 4046 B10R0.75 C=COCCOC(C)C(=O)C 34a_100000212229_100000039644 [0,2,0,0,0,0|1,0,0]=3 4047 B10R0.75 C=COCCOC(C)C(=O)N 34a_100000033082_100000702099 [0,2,0,0,0,0|1,0,1]=4 4048 B10R0.75 C=COCCOC(F)C(=O)N 34a_100000033082_100009813875 [0,2,0,0,0,0|2,0,0]=4 4049 B10R0.75 C=COCCOC(F)C(=O)[O-] 34a_100000033082_100020610796 [0,2,0,0,0,0|2,0,0]=4 4050 B10R0.75 C=COCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000039644 [0,2,0,0,0,0|1,0,1]=4 4051 B10R0.75 C=COCCO[C@H](C)C(=O)N 34a_100000731257_100000039644 [0,2,0,0,0,0|1,0,1]=4 4052 B10R0.75 C=COCCO[C@H](C)C(=O)N 7a_100000731257_100000039644 [0,2,0,0,0,0|1,0,1]=4 4053 B10R0.75 C=COCCSC(C)C(=O)C 62a_100000039644_100009814033 [0,2,0,0,0,0|1,1,0]=4 4054 B10R0.75 C=COCCSC(C)C(=O)C 62a_100009814033_100000039644 [0,2,0,0,0,0|1,1,0]=4 4055 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [0,2,0,0,0,0|1,0,1]=4 4056 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [0,2,0,0,0,0|1,0,1]=4 4057 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [0,2,0,0,0,0|1,0,1]=4 4058 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,2,0,0,0,0|1,0,1]=4 4059 B10R0.75 CC(=O)C(C)SCCCC=O 62a_100009814033_200011292268 [0,2,0,0,0,0|1,1,0]=4 4060 B10R0.75 CC(=O)C(C)SCCCC=O 62a_200011292268_100009814033 [0,2,0,0,0,0|1,1,0]=4 4061 B10R0.75 CC(C)C(=O)OCSCC=O 62a_100000139345_200015260668 [0,2,0,0,0,0|2,0,0]=4 4062 B10R0.75 CC(C)C(=O)OCSCC=O 62a_200015260668_100000139345 [0,2,0,0,0,0|2,0,0]=4 4063 B10R0.75 CC=CCOCC(C)C(=O)C 34a_100000032740_100000070051 [0,2,0,0,0,0|2,0,0]=4 4064 B10R0.75 CC=CCOCC(C)C(=O)C 7a_100000032740_100000070051 [0,2,0,0,0,0|2,0,0]=4 4065 B10R0.75 CC=CCSCC(=O)C(=O)C 62a_100000070051_100011261029 [0,2,0,0,0,0|2,0,0]=4 4066 B10R0.75 CC=CCSCC(=O)C(=O)C 62a_100011261029_100000070051 [0,2,0,0,0,0|2,0,0]=4 4067 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,2,0,0,0,0|0,0,2]=4 4068 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,2,0,0,0,0|0,0,2]=4 4069 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [0,2,0,0,0,0|1,0,1]=4 4070 B10R0.75 CSCCCOC(C)C(=O)C 7a_100000690336_100000179758 [0,2,0,0,0,0|1,0,1]=4 4071 B10R0.75 C[C@@H](OCCCC=O)C(=O)N 7a_100000731257_200011292268 [0,2,0,0,0,0|1,0,1]=4 4072 B10R0.75 C[C@H](OCCCC=O)C(=O)[O-] 7a_217856618621_200011292268 [0,2,0,0,0,0|1,0,1]=4 4073 B10R0.78 C#CCCC(=O)COC(=O)C 1458a_100000183556_100000753159 [0,2,0,0,0,0|0,0,2]=4 4074 B10R0.78 C/C=C/CC(=O)CNC(=O)C 1458a_100000194580_100102629194 [0,2,0,0,0,0|1,0,1]=4 4075 B10R0.78 C/C=C/CC(=O)COC(=O)C 1458a_100000183556_100102629194 [0,2,0,0,0,0|0,0,1]=3 4076 B10R0.78 C/C=C/CC(=O)CSC(=O)C 1458a_100000049016_100102629194 [0,2,0,0,0,0|0,1,1]=4 4077 B10R0.78 C=CCCC(=NNC(=O)C)C 4a_100000189765_100000762624 [0,2,0,0,0,0|1,0,1]=4 4078 B10R0.78 C=CCCC(=O)CC=C(C)C 1458a_100000749702_100000761012 [0,2,0,0,0,0|2,0,0]=4 4079 B10R0.78 C=CCCC(=O)CC=C(C)C 1458a_100011220947_100000754431 [0,2,0,0,0,0|2,0,0]=4 4080 B10R0.78 C=CCCC(=O)CCC(=C)C 1458a_100000749702_100000730704 [0,2,0,0,0,0|2,0,0]=4 4081 B10R0.78 C=CCCC(=O)CCC(=C)C 1458a_200000688413_100000754431 [0,2,0,0,0,0|2,0,0]=4 4082 B10R0.78 C=CCCC(=O)CCC(=O)N 1458a_100011215257_100000754431 [0,2,0,0,0,0|2,0,0]=4 4083 B10R0.78 C=CCCC(=O)CNC(=O)C 1458a_100000194580_100000754431 [0,2,0,0,0,0|1,0,0]=3 4084 B10R0.78 C=CCCC(=O)CNC(=O)N 1458a_100000184981_100000754431 [0,2,0,0,0,0|2,0,0]=4 4085 B10R0.78 C=CCCC(=O)COC(=O)C 1458a_100000183556_100000754431 [0,2,0,0,0,0|0,0,0]=2 4086 B10R0.78 C=CCCC(=O)COC(C)C 1458a_100000745533_100000754431 [0,2,0,0,0,0|1,0,1]=4 4087 B10R0.78 C=CCCC(=O)CSC(=O)C 1458a_100000049016_100000754431 [0,2,0,0,0,0|0,1,0]=3 4088 B10R0.78 C=CCCC(=O)NNC(=O)C 22a_100000189765_100000749702 [0,2,0,0,0,0|1,0,1]=4 4089 B10R0.78 C=CCCC(C)OCC(=C)C 34a_100000765329_100000748629 [0,2,0,0,0,0|1,0,0]=3 4090 B10R0.78 C=CCCC(C)OCC(=C)C 7a_100000765329_100000748629 [0,2,0,0,0,0|1,0,0]=3 4091 B10R0.78 C=CCCC(C)OCC(=C)F 34a_100000765329_100009893438 [0,2,0,0,0,0|1,0,1]=4 4092 B10R0.78 C=CCCC(C)OCC(=C)F 7a_100000765329_100000042424 [0,2,0,0,0,0|1,0,1]=4 4093 B10R0.78 C=CCCC(C)OCC(=O)N 34a_100000765329_100000187820 [0,2,0,0,0,0|1,0,0]=3 4094 B10R0.78 C=CCCC(C)OCC(=O)N 7a_100000765329_100000187820 [0,2,0,0,0,0|1,0,0]=3 4095 B10R0.78 C=CCCC(C)OCC(=O)[O-] 34a_100000765329_100020667443 [0,2,0,0,0,0|1,0,0]=3 4096 B10R0.78 C=CCCC(C)OCC(C)C 34a_100000765329_100000210624 [0,2,0,0,0,0|1,0,1]=4 4097 B10R0.78 C=CCCC(C)OCC(C)C 7a_100000765329_100000210760 [0,2,0,0,0,0|1,0,1]=4 4098 B10R0.78 C=CCCC(C)OCC(C)O 34a_100000765329_100011218427 [0,2,0,0,0,0|0,0,2]=4 4099 B10R0.78 C=CCCC(C)OCC(C)O 7a_100000765329_100011218427 [0,2,0,0,0,0|0,0,2]=4 4100 B10R0.78 C=CCCC(C)OC[C@@H](C)O 34a_100000765329_100009817552 [0,2,0,0,0,0|0,0,2]=4 4101 B10R0.78 C=CCCC(C)OC[C@@H](C)O 7a_100000765329_100009817552 [0,2,0,0,0,0|0,0,2]=4 4102 B10R0.78 C=CCCC(C)OC[N+](=O)[O-] 34a_100000765329_100000761209 [0,2,0,0,0,0|2,0,0]=4 4103 B10R0.78 C=CCCN(C)CC=C(C)C 2230a_100020639649_100000761012 [0,2,0,0,0,0|2,0,0]=4 4104 B10R0.78 C=CCCN(C)CC=C(C)C 269982a_100020639649_100000761012 [0,2,0,0,0,0|2,0,0]=4 4105 B10R0.78 C=CCCN(C)CCC(=C)C 2230a_100020639649_100000730704 [0,2,0,0,0,0|2,0,0]=4 4106 B10R0.78 C=CCCN(C)CCC(=C)C 269982a_100020639649_100000730704 [0,2,0,0,0,0|2,0,0]=4 4107 B10R0.78 C=CCCN(C)CCC(=O)C 269982a_100020639649_100000053229 [0,2,0,0,0,0|1,0,0]=3 4108 B10R0.78 C=CCCN(C)CCC(=O)N 2230a_100000730477_100000754431 [0,2,0,0,0,0|2,0,0]=4 4109 B10R0.78 C=CCCN(C)CCC(=O)N 2230a_100020639649_100000744528 [0,2,0,0,0,0|2,0,0]=4 4110 B10R0.78 C=CCCN(C)CCC(=O)N 269982a_100020639649_100000744528 [0,2,0,0,0,0|2,0,0]=4 4111 B10R0.78 C=CCCN(C)COC(=O)C 269982a_100020639649_100000076356 [0,2,0,0,0,0|0,0,0]=2 4112 B10R0.78 C=CCCN(C)COC(C)C 2230a_100020639649_100000709892 [0,2,0,0,0,0|1,0,1]=4 4113 B10R0.78 C=CCCN(C)COC(C)C 269982a_100020639649_100000709892 [0,2,0,0,0,0|1,0,1]=4 4114 B10R0.78 C=CCNC(=O)CNC(=O)C 1626a_100020586998_100000194580 [0,2,0,0,0,0|1,0,1]=4 4115 B10R0.78 C=CCNC(=O)CNC(=O)C 240690a_100020586998_100000194580 [0,2,0,0,0,0|1,0,1]=4 4116 B10R0.78 C=CCNC(=O)CNC(=O)C 527a_100020586998_100000194580 [0,2,0,0,0,0|1,0,1]=4 4117 B10R0.78 C=CCNC(=O)COC(=O)C 1626a_100020586998_100000183556 [0,2,0,0,0,0|0,0,1]=3 4118 B10R0.78 C=CCNC(=O)COC(=O)C 240690a_100020586998_100000183556 [0,2,0,0,0,0|0,0,1]=3 4119 B10R0.78 C=CCNC(=O)COC(=O)C 527a_100020586998_100000183556 [0,2,0,0,0,0|0,0,1]=3 4120 B10R0.78 C=CCNC(=O)CSC(=O)C 1626a_100020586998_100000049016 [0,2,0,0,0,0|0,1,1]=4 4121 B10R0.78 C=CCNC(=O)CSC(=O)C 240690a_100020586998_100000049016 [0,2,0,0,0,0|0,1,1]=4 4122 B10R0.78 C=CCNC(C)CCC(=C)C 270004a_100020586998_100011215600 [0,2,0,0,0,0|2,0,0]=4 4123 B10R0.78 C=CCNC(C)COC(=O)C 270004a_100020586998_100000000629 [0,2,0,0,0,0|0,0,0]=2 4124 B10R0.78 CC(=O)OCC(=O)CCC#N 1458a_100000183556_100011215226 [0,2,0,0,0,0|1,0,1]=4 4125 B10R0.78 CC(=O)OCC(=O)CCCF 1458a_100000183556_100011934791 [0,2,0,0,0,0|1,0,1]=4 4126 B10R0.78 CC(=O)OCC(=O)CCCO 1458a_100000183556_100011215043 [0,2,0,0,0,0|1,0,1]=4 4127 B10R0.78 CC(=O)OCC(C)NCCO 270004a_100000210304_100000000629 [0,2,0,0,0,0|1,0,1]=4 4128 B10R0.78 CC(=O)OCC(O)CSCF 62a_100015361967_200000139349 [0,2,0,0,0,0|1,0,1]=4 4129 B10R0.78 CC(=O)OCC(O)CSCF 62a_200000139349_100015361967 [0,2,0,0,0,0|1,0,1]=4 4130 B10R0.78 CC(=O)OCN(C)CCCO 269982a_100000213112_100000076356 [0,2,0,0,0,0|1,0,1]=4 4131 B10R0.78 CC=CCC(=O)CNC(=O)C 1458a_100000194580_100000070051 [0,2,0,0,0,0|1,0,1]=4 4132 B10R0.78 CC=CCC(=O)COC(=O)C 1458a_100000183556_100000070051 [0,2,0,0,0,0|0,0,1]=3 4133 B10R0.78 CC=CCC(=O)CSC(=O)C 1458a_100000049016_100000070051 [0,2,0,0,0,0|0,1,1]=4 4134 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,2,0,0,0,0|0,0,2]=4 4135 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,2,0,0,0,0|0,0,2]=4 4136 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [0,2,0,0,0,0|0,0,2]=4 4137 B10R0.78 CCCNC(C)COC(=O)C 270004a_100020643023_100000000629 [0,2,0,0,0,0|0,0,2]=4 4138 B10R0.78 CCOCC(O)COC(=O)C 34a_100121572206_200000139349 [0,2,0,0,0,0|0,0,2]=4 4139 B10R0.78 CCSCC(O)COC(=O)C 62a_100000210202_200000139349 [0,2,0,0,0,0|0,0,2]=4 4140 B10R0.78 CCSCC(O)COC(=O)C 62a_200000139349_100000210202 [0,2,0,0,0,0|0,0,2]=4 4141 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [0,2,0,0,0,0|1,0,1]=4 4142 B10R0.78 COCCN(C)COC(=O)C 269982a_100000743101_100000076356 [0,2,0,0,0,0|1,0,1]=4 4143 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [0,2,0,0,0,0|1,0,1]=4 4144 B10R0.78 CSCCN(C)COC(=O)C 269982a_100000686725_100000076356 [0,2,0,0,0,0|1,0,1]=4 4145 B10R0.97 C=C(Br)CCOCC=C(C)C 34a_100009813270_100000761012 [0,2,0,0,0,0|2,0,0]=4 4146 B10R0.97 C=C(Br)CCOCCC(=O)N 34a_100009813270_100000731001 [0,2,0,0,0,0|2,0,0]=4 4147 B10R0.97 C=C(Br)CCOCOC(=O)C 34a_100009813270_100009813279 [0,2,0,0,0,0|0,0,0]=2 4148 B10R0.97 C=C(Br)CCOCOC(C)C 34a_100009813270_100000709892 [0,2,0,0,0,0|1,0,1]=4 4149 B10R0.97 C=C(C)CCNCC=C(C)C 34a_100000718196_100000730704 [0,2,0,0,0,0|2,0,0]=4 4150 B10R0.97 C=C(C)CCNOCC(=O)O 269956a_100000106656_100000730704 [0,2,0,0,0,0|2,0,0]=4 4151 B10R0.97 C=C(C)CCOCC=C(C)C 34a_100000753907_100000730704 [0,2,0,0,0,0|2,0,0]=4 4152 B10R0.97 C=C(C)CCOCC=C(C)C 34a_100000764851_100000761012 [0,2,0,0,0,0|2,0,0]=4 4153 B10R0.97 C=C(C)CCOCCC(=C)Br 34a_100009813270_100000730704 [0,2,0,0,0,0|2,0,0]=4 4154 B10R0.97 C=C(C)CCOCCC(=C)C 34a_100000764851_100000730704 [0,2,0,0,0,0|2,0,0]=4 4155 B10R0.97 C=C(C)CCOCCC(=O)C 34a_100000759926_100000730704 [0,2,0,0,0,0|1,0,0]=3 4156 B10R0.97 C=C(C)CCOCCC(=O)C 7a_100000759926_100000730704 [0,2,0,0,0,0|1,0,0]=3 4157 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000757172_100000730704 [0,2,0,0,0,0|2,0,0]=4 4158 B10R0.97 C=C(C)CCOCCC(=O)N 34a_100000764851_100000731001 [0,2,0,0,0,0|2,0,0]=4 4159 B10R0.97 C=C(C)CCOCCC(=O)N 7a_100000757172_100000730704 [0,2,0,0,0,0|2,0,0]=4 4160 B10R0.97 C=C(C)CCOCOC(=O)C 34a_100000764851_100009813279 [0,2,0,0,0,0|0,0,0]=2 4161 B10R0.97 C=C(C)CCOCOC(C)C 34a_100000764851_100000709892 [0,2,0,0,0,0|1,0,1]=4 4162 B10R0.97 C=C(C)CCSCC=C(C)C 62a_100000730704_100000761012 [0,2,0,0,0,0|2,0,0]=4 4163 B10R0.97 C=C(C)CCSCC=C(C)C 62a_100000761012_100000730704 [0,2,0,0,0,0|2,0,0]=4 4164 B10R0.97 C=C(C)CCSCCC(=C)C 62a_100000730704_100000730704 [0,2,0,0,0,0|2,0,0]=4 4165 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000053229_100000730704 [0,2,0,0,0,0|1,0,0]=3 4166 B10R0.97 C=C(C)CCSCCC(=O)C 62a_100000730704_100000053229 [0,2,0,0,0,0|1,0,0]=3 4167 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000730704_100000744528 [0,2,0,0,0,0|2,0,0]=4 4168 B10R0.97 C=C(C)CCSCCC(=O)N 62a_100000744528_100000730704 [0,2,0,0,0,0|2,0,0]=4 4169 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000076356_100000730704 [0,2,0,0,0,0|0,0,0]=2 4170 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000730704_100000076356 [0,2,0,0,0,0|0,0,0]=2 4171 B10R0.97 C=C(C)CCSCOC(C)C 62a_100000709892_100000730704 [0,2,0,0,0,0|1,0,1]=4 4172 B10R0.97 C=C(C)CCSCOC(C)C 62a_100000730704_100000709892 [0,2,0,0,0,0|1,0,1]=4 4173 B10R0.97 C=C(C)CNCCCC(=O)N 34a_100000739312_100000748629 [0,2,0,0,0,0|2,0,0]=4 4174 B10R0.97 C=C(C)CNCCCS(=O)C 2230a_200000753449_100000748629 [0,2,0,0,0,0|2,0,0]=4 4175 B10R0.97 C=C(C)CNCCNC(=O)C 2230a_100000209853_100000748629 [0,2,0,0,0,0|1,0,0]=3 4176 B10R0.97 C=C(C)CNCCNC(=O)N 34a_100020590234_100000748629 [0,2,0,0,0,0|2,0,0]=4 4177 B10R0.97 C=C(C)CNCCOC(C)C 2230a_100000701111_100000748629 [0,2,0,0,0,0|1,0,1]=4 4178 B10R0.97 C=C(C)CNCCOC(C)C 34a_100000701111_100000748629 [0,2,0,0,0,0|1,0,1]=4 4179 B10R0.97 C=C(C)COCCC=C(C)C 34a_100000210245_100011217483 [0,2,0,0,0,0|2,0,0]=4 4180 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000210245_100000685027 [0,2,0,0,0,0|1,0,0]=3 4181 B10R0.97 C=C(C)COCCCC(=O)C 34a_100000759063_100000748629 [0,2,0,0,0,0|1,0,0]=3 4182 B10R0.97 C=C(C)COCCCC(=O)C 7a_100000759063_100000748629 [0,2,0,0,0,0|1,0,0]=3 4183 B10R0.97 C=C(C)COCCCC(=O)N 34a_100000210245_100102525003 [0,2,0,0,0,0|2,0,0]=4 4184 B10R0.97 C=C(C)COCCNC(=O)C 34a_100000158858_100000748629 [0,2,0,0,0,0|1,0,0]=3 4185 B10R0.97 C=C(C)COCCNC(=O)N 34a_100000181757_100000748629 [0,2,0,0,0,0|2,0,0]=4 4186 B10R0.97 C=C(C)COCCOC(=O)C 34a_100000210245_100009814007 [0,2,0,0,0,0|0,0,0]=2 4187 B10R0.97 C=C(C)COCCOC(=O)N 34a_100000210245_200011214921 [0,2,0,0,0,0|1,0,0]=3 4188 B10R0.97 C=C(C)COCCOC(=O)N 7a_100000766696_100000748629 [0,2,0,0,0,0|1,0,0]=3 4189 B10R0.97 C=C(C)COCCOC(C)C 34a_100000210245_100000211751 [0,2,0,0,0,0|1,0,1]=4 4190 B10R0.97 C=C(C)COCCOC(C)C 34a_100000211219_100000748629 [0,2,0,0,0,0|1,0,1]=4 4191 B10R0.97 C=C(C)COCCOC(C)C 7a_100000211219_100000748629 [0,2,0,0,0,0|1,0,1]=4 4192 B10R0.97 C=C(C)CSCCC=C(C)C 62a_100000748629_100011217483 [0,2,0,0,0,0|2,0,0]=4 4193 B10R0.97 C=C(C)CSCCC=C(C)C 62a_100011217483_100000211660 [0,2,0,0,0,0|2,0,0]=4 4194 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100000748629_100011215641 [0,2,0,0,0,0|1,0,0]=3 4195 B10R0.97 C=C(C)CSCCCC(=O)C 62a_100011215641_100000211660 [0,2,0,0,0,0|1,0,0]=3 4196 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100000748629_100102525003 [0,2,0,0,0,0|2,0,0]=4 4197 B10R0.97 C=C(C)CSCCCC(=O)N 62a_100102525003_100000211660 [0,2,0,0,0,0|2,0,0]=4 4198 B10R0.97 C=C(C)CSCCNC(=O)C 62a_100000189650_100000211660 [0,2,0,0,0,0|1,0,0]=3 4199 B10R0.97 C=C(C)CSCCNC(=O)C 62a_100000748629_100000189650 [0,2,0,0,0,0|1,0,0]=3 4200 B10R0.97 C=C(C)CSCCNC(=O)N 62a_100000748629_200000034859 [0,2,0,0,0,0|2,0,0]=4 4201 B10R0.97 C=C(C)CSCCNC(=O)N 62a_200000034859_100000211660 [0,2,0,0,0,0|2,0,0]=4 4202 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100000748629_100009814007 [0,2,0,0,0,0|0,0,0]=2 4203 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100009814007_100000211660 [0,2,0,0,0,0|0,0,0]=2 4204 B10R0.97 C=C(C)CSCCOC(=O)N 62a_100000748629_200011214921 [0,2,0,0,0,0|1,0,0]=3 4205 B10R0.97 C=C(C)CSCCOC(=O)N 62a_200011214921_100000211660 [0,2,0,0,0,0|1,0,0]=3 4206 B10R0.97 C=C(C)CSCCOC(C)C 62a_100000211751_100000211660 [0,2,0,0,0,0|1,0,1]=4 4207 B10R0.97 C=C(C)CSCCOC(C)C 62a_100000748629_100000211751 [0,2,0,0,0,0|1,0,1]=4 4208 B10R0.97 C=C(F)CNCCCC(=O)N 34a_100000739312_100009893438 [0,2,0,0,0,0|2,0,0]=4 4209 B10R0.97 C=C(F)CNCCCS(=O)C 2230a_200000753449_100009893438 [0,2,0,0,0,0|2,0,0]=4 4210 B10R0.97 C=C(F)CNCCNC(=O)C 2230a_100000209853_100009893438 [0,2,0,0,0,0|1,0,0]=3 4211 B10R0.97 C=C(F)CNCCNC(=O)N 34a_100020590234_100009893438 [0,2,0,0,0,0|2,0,0]=4 4212 B10R0.97 C=C(F)CNCCOC(C)C 2230a_100000701111_100009893438 [0,2,0,0,0,0|1,0,1]=4 4213 B10R0.97 C=C(F)CNCCOC(C)C 34a_100000701111_100009893438 [0,2,0,0,0,0|1,0,1]=4 4214 B10R0.97 C=C(F)COCCC=C(C)C 34a_200010262243_100011217483 [0,2,0,0,0,0|2,0,0]=4 4215 B10R0.97 C=C(F)COCCCC(=O)C 34a_100000759063_100009893438 [0,2,0,0,0,0|1,0,0]=3 4216 B10R0.97 C=C(F)COCCCC(=O)C 34a_200010262243_100000685027 [0,2,0,0,0,0|1,0,0]=3 4217 B10R0.97 C=C(F)COCCCC(=O)C 7a_100000759063_100000042424 [0,2,0,0,0,0|1,0,0]=3 4218 B10R0.97 C=C(F)COCCCC(=O)N 34a_200010262243_100102525003 [0,2,0,0,0,0|2,0,0]=4 4219 B10R0.97 C=C(F)COCCNC(=O)C 34a_100000158858_100009893438 [0,2,0,0,0,0|1,0,0]=3 4220 B10R0.97 C=C(F)COCCNC(=O)N 34a_100000181757_100009893438 [0,2,0,0,0,0|2,0,0]=4 4221 B10R0.97 C=C(F)COCCOC(=O)C 34a_200010262243_100009814007 [0,2,0,0,0,0|0,0,0]=2 4222 B10R0.97 C=C(F)COCCOC(=O)N 34a_200010262243_200011214921 [0,2,0,0,0,0|1,0,0]=3 4223 B10R0.97 C=C(F)COCCOC(=O)N 7a_100000766696_100000042424 [0,2,0,0,0,0|1,0,0]=3 4224 B10R0.97 C=C(F)COCCOC(C)C 34a_100000211219_100009893438 [0,2,0,0,0,0|1,0,1]=4 4225 B10R0.97 C=C(F)COCCOC(C)C 34a_200010262243_100000211751 [0,2,0,0,0,0|1,0,1]=4 4226 B10R0.97 C=C(F)COCCOC(C)C 7a_100000211219_100000042424 [0,2,0,0,0,0|1,0,1]=4 4227 B10R0.97 C=C(F)CSCCC=C(C)C 62a_100000042424_100011217483 [0,2,0,0,0,0|2,0,0]=4 4228 B10R0.97 C=C(F)CSCCC=C(C)C 62a_100011217483_100000042424 [0,2,0,0,0,0|2,0,0]=4 4229 B10R0.97 C=C(F)CSCCCC(=O)C 62a_100000042424_100011215641 [0,2,0,0,0,0|1,0,0]=3 4230 B10R0.97 C=C(F)CSCCCC(=O)C 62a_100011215641_100000042424 [0,2,0,0,0,0|1,0,0]=3 4231 B10R0.97 C=C(F)CSCCCC(=O)N 62a_100000042424_100102525003 [0,2,0,0,0,0|2,0,0]=4 4232 B10R0.97 C=C(F)CSCCCC(=O)N 62a_100102525003_100000042424 [0,2,0,0,0,0|2,0,0]=4 4233 B10R0.97 C=C(F)CSCCNC(=O)C 62a_100000042424_100000189650 [0,2,0,0,0,0|1,0,0]=3 4234 B10R0.97 C=C(F)CSCCNC(=O)C 62a_100000189650_100000042424 [0,2,0,0,0,0|1,0,0]=3 4235 B10R0.97 C=C(F)CSCCNC(=O)N 62a_100000042424_200000034859 [0,2,0,0,0,0|2,0,0]=4 4236 B10R0.97 C=C(F)CSCCNC(=O)N 62a_200000034859_100000042424 [0,2,0,0,0,0|2,0,0]=4 4237 B10R0.97 C=C(F)CSCCOC(=O)C 62a_100000042424_100009814007 [0,2,0,0,0,0|0,0,0]=2 4238 B10R0.97 C=C(F)CSCCOC(=O)C 62a_100009814007_100000042424 [0,2,0,0,0,0|0,0,0]=2 4239 B10R0.97 C=C(F)CSCCOC(=O)N 62a_100000042424_200011214921 [0,2,0,0,0,0|1,0,0]=3 4240 B10R0.97 C=C(F)CSCCOC(=O)N 62a_200011214921_100000042424 [0,2,0,0,0,0|1,0,0]=3 4241 B10R0.97 C=C(F)CSCCOC(C)C 62a_100000042424_100000211751 [0,2,0,0,0,0|1,0,1]=4 4242 B10R0.97 C=C(F)CSCCOC(C)C 62a_100000211751_100000042424 [0,2,0,0,0,0|1,0,1]=4 4243 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [0,2,0,0,0,0|1,0,1]=4 4244 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,2,0,0,0,0|0,0,1]=3 4245 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [0,2,0,0,0,0|0,1,1]=4 4246 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [0,2,0,0,0,0|2,0,0]=4 4247 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [0,2,0,0,0,0|0,0,1]=3 4248 B10R0.97 CC(=O)CCCOCC(=O)N 34a_100000759063_100000187820 [0,2,0,0,0,0|1,0,1]=4 4249 B10R0.97 CC(=O)CCCOCC(=O)N 7a_100000759063_100000187820 [0,2,0,0,0,0|1,0,1]=4 4250 B10R0.97 CC(=O)CCCOCC(=O)[O-] 34a_100000759063_100020667443 [0,2,0,0,0,0|1,0,1]=4 4251 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100000747473_100011215641 [0,2,0,0,0,0|2,0,0]=4 4252 B10R0.97 CC(=O)CCCSCC(=O)N 62a_100011215641_100000747473 [0,2,0,0,0,0|2,0,0]=4 4253 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100011215641_100020667443 [0,2,0,0,0,0|2,0,0]=4 4254 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011215641 [0,2,0,0,0,0|2,0,0]=4 4255 B10R0.97 CC(=O)CCOCC=C(C)C 34a_100000759926_100000761012 [0,2,0,0,0,0|2,0,0]=4 4256 B10R0.97 CC(=O)CCOCC=C(C)C 7a_100000759926_100000761012 [0,2,0,0,0,0|2,0,0]=4 4257 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [0,2,0,0,0,0|1,0,1]=4 4258 B10R0.97 CC(=O)CCOCCC(=O)N 34a_100000759926_100000731001 [0,2,0,0,0,0|2,0,0]=4 4259 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000757172_100000053229 [0,2,0,0,0,0|2,0,0]=4 4260 B10R0.97 CC(=O)CCOCCC(=O)N 7a_100000759926_100000744528 [0,2,0,0,0,0|2,0,0]=4 4261 B10R0.97 CC(=O)CCOCOC(=O)C 34a_100000759926_100009813279 [0,2,0,0,0,0|0,0,1]=3 4262 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000053229_100000761012 [0,2,0,0,0,0|2,0,0]=4 4263 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000761012_100000053229 [0,2,0,0,0,0|2,0,0]=4 4264 B10R0.97 CC(=O)CCSCCC(=O)C 62a_100000053229_100000053229 [0,2,0,0,0,0|1,0,1]=4 4265 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000053229_100000744528 [0,2,0,0,0,0|2,0,0]=4 4266 B10R0.97 CC(=O)CCSCCC(=O)N 62a_100000744528_100000053229 [0,2,0,0,0,0|2,0,0]=4 4267 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [0,2,0,0,0,0|0,0,1]=3 4268 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [0,2,0,0,0,0|0,0,1]=3 4269 B10R0.97 CC(=O)COCCC=C(C)C 34a_100000211253_100011217483 [0,2,0,0,0,0|0,0,2]=4 4270 B10R0.97 CC(=O)COCCC=C(F)F 34a_100000211253_200009816681 [0,2,0,0,0,0|1,0,1]=4 4271 B10R0.97 CC(=O)COCCCC(=O)N 34a_100000211253_100102525003 [0,2,0,0,0,0|1,0,0]=3 4272 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,2,0,0,0,0|0,0,2]=4 4273 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,2,0,0,0,0|0,0,2]=4 4274 B10R0.97 CC(=O)COCCOC(=O)C 34a_100000211253_100009814007 [0,2,0,0,0,0|0,0,1]=3 4275 B10R0.97 CC(=O)COCCOC(=O)N 34a_100000211253_200011214921 [0,2,0,0,0,0|1,0,1]=4 4276 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [0,2,0,0,0,0|1,0,1]=4 4277 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [0,2,0,0,0,0|1,0,1]=4 4278 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [0,2,0,0,0,0|1,0,1]=4 4279 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [0,2,0,0,0,0|1,0,1]=4 4280 B10R0.97 CC(=O)NCCCNC(=O)C 11a_100000736810_100015343762 [0,2,0,0,0,0|1,0,1]=4 4281 B10R0.97 CC(=O)NCCCNC(=O)C 240690a_100000736810_100015343762 [0,2,0,0,0,0|1,0,1]=4 4282 B10R0.97 CC(=O)NCCCNC(=O)C 527a_100000736810_100103153847 [0,2,0,0,0,0|1,0,1]=4 4283 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000209853_100000747473 [0,2,0,0,0,0|2,0,0]=4 4284 B10R0.97 CC(=O)NCCNCC(=O)N 2230a_100000711301_100000189650 [0,2,0,0,0,0|2,0,0]=4 4285 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [0,2,0,0,0,0|2,0,0]=4 4286 B10R0.97 CC(=O)NCCOCC(=O)N 34a_100000158858_100000187820 [0,2,0,0,0,0|2,0,0]=4 4287 B10R0.97 CC(=O)NCCOCC(=O)[O-] 34a_100000158858_100020667443 [0,2,0,0,0,0|2,0,0]=4 4288 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000189650_100000747473 [0,2,0,0,0,0|2,0,0]=4 4289 B10R0.97 CC(=O)NCCSCC(=O)N 62a_100000747473_100000189650 [0,2,0,0,0,0|2,0,0]=4 4290 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100000189650_100020667443 [0,2,0,0,0,0|2,0,0]=4 4291 B10R0.97 CC(=O)NCCSCC(=O)[O-] 62a_100020667443_100000189650 [0,2,0,0,0,0|2,0,0]=4 4292 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,2,0,0,0,0|0,0,2]=4 4293 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [0,2,0,0,0,0|0,0,2]=4 4294 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [0,2,0,0,0,0|0,0,2]=4 4295 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [0,2,0,0,0,0|0,0,2]=4 4296 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [0,2,0,0,0,0|0,0,2]=4 4297 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [0,2,0,0,0,0|1,0,0]=3 4298 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [0,2,0,0,0,0|0,0,2]=4 4299 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,2,0,0,0,0|0,0,2]=4 4300 B10R0.97 CC(=O)OCCNCC(F)F 34a_100000765723_100009814007 [0,2,0,0,0,0|1,0,1]=4 4301 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [0,2,0,0,0,0|0,0,2]=4 4302 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [0,2,0,0,0,0|0,0,2]=4 4303 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [0,2,0,0,0,0|0,0,2]=4 4304 B10R0.97 CC(=O)OCCOCC(F)F 34a_100000743014_100009814007 [0,2,0,0,0,0|1,0,1]=4 4305 B10R0.97 CC(=O)OCCOCN(C)C 269982a_100102631434_100000076355 [0,2,0,0,0,0|1,0,1]=4 4306 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [0,2,0,0,0,0|0,0,2]=4 4307 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [0,2,0,0,0,0|0,0,2]=4 4308 B10R0.97 CC(=O)OCCSCC(=O)N 62a_100000747473_100009814007 [0,2,0,0,0,0|1,0,0]=3 4309 B10R0.97 CC(=O)OCCSCC(=O)N 62a_100009814007_100000747473 [0,2,0,0,0,0|1,0,0]=3 4310 B10R0.97 CC(=O)OCCSCC(=O)[O-] 62a_100009814007_100020667443 [0,2,0,0,0,0|1,0,0]=3 4311 B10R0.97 CC(=O)OCCSCC(=O)[O-] 62a_100020667443_100009814007 [0,2,0,0,0,0|1,0,0]=3 4312 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [0,2,0,0,0,0|0,0,2]=4 4313 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [0,2,0,0,0,0|0,0,2]=4 4314 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,2,0,0,0,0|0,0,2]=4 4315 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,2,0,0,0,0|0,0,2]=4 4316 B10R0.97 CC(=O)OCCSCC(F)F 62a_100009814007_100011934356 [0,2,0,0,0,0|1,0,1]=4 4317 B10R0.97 CC(=O)OCCSCC(F)F 62a_100011934356_100009814007 [0,2,0,0,0,0|1,0,1]=4 4318 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,2,0,0,0,0|0,0,2]=4 4319 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,2,0,0,0,0|0,0,2]=4 4320 B10R0.97 CC(=O)OCCSC[N+](=O)[O-] 62a_100009814007_100000761209 [0,2,0,0,0,0|2,0,0]=4 4321 B10R0.97 CC(=O)OCNCC=C(C)C 34a_100000718196_100009813279 [0,2,0,0,0,0|1,0,0]=3 4322 B10R0.97 CC(=O)OCNOCC(=O)O 269956a_100000106656_100000076356 [0,2,0,0,0,0|2,0,0]=4 4323 B10R0.97 CC(=O)OCOCC=C(C)C 34a_100000753907_100009813279 [0,2,0,0,0,0|1,0,0]=3 4324 B10R0.97 CC(=O)OCOCCC(=O)N 34a_100000757172_100009813279 [0,2,0,0,0,0|1,0,0]=3 4325 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [0,2,0,0,0,0|0,0,2]=4 4326 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [0,2,0,0,0,0|0,0,2]=4 4327 B10R0.97 CC(=O)OCOCCC(F)F 34a_100103093639_100009813279 [0,2,0,0,0,0|1,0,1]=4 4328 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [0,2,0,0,0,0|0,0,2]=4 4329 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000076356_100000761012 [0,2,0,0,0,0|1,0,0]=3 4330 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000761012_100000076356 [0,2,0,0,0,0|1,0,0]=3 4331 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000076356_100000744528 [0,2,0,0,0,0|1,0,0]=3 4332 B10R0.97 CC(=O)OCSCCC(=O)N 62a_100000744528_100000076356 [0,2,0,0,0,0|1,0,0]=3 4333 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [0,2,0,0,0,0|0,0,2]=4 4334 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [0,2,0,0,0,0|0,0,2]=4 4335 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,2,0,0,0,0|0,0,2]=4 4336 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,2,0,0,0,0|0,0,2]=4 4337 B10R0.97 CC(=O)OCSCCN(C)C 62a_100000076356_100000755713 [0,2,0,0,0,0|1,0,1]=4 4338 B10R0.97 CC(=O)OCSCOC(=O)C 62a_100000076356_100000076356 [0,2,0,0,0,0|1,0,1]=4 4339 B10R0.97 NC(=O)COCCOC(=O)N 7a_100000766696_100000187820 [0,2,0,0,0,0|2,0,0]=4 4340 B10R0.97 NC(=O)CSCCOC(=O)N 62a_100000747473_200011214921 [0,2,0,0,0,0|2,0,0]=4 4341 B10R0.97 NC(=O)CSCCOC(=O)N 62a_200011214921_100000747473 [0,2,0,0,0,0|2,0,0]=4 4342 B10R0.97 NC(=O)OCCSCC(=O)[O-] 62a_100020667443_200011214921 [0,2,0,0,0,0|2,0,0]=4 4343 B10R0.97 NC(=O)OCCSCC(=O)[O-] 62a_200011214921_100020667443 [0,2,0,0,0,0|2,0,0]=4 4344 B10R0.18 C#CC(C)OC(C)CCC=C 34a_100000765329_200000035995 [0,2,0,0,0,0|1,0,1]=4 4345 B10R0.18 C=CCCC(=O)CC(=O)CC 1458a_100000749702_100000747405 [0,2,0,0,0,0|1,0,1]=4 4346 B10R0.18 C=CCCC(=O)CC(=O)NC 1458a_100000749702_100000183359 [0,2,0,0,0,0|1,0,1]=4 4347 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000211351_100000754431 [0,2,0,0,0,0|1,0,1]=4 4348 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000749702_100000747449 [0,2,0,0,0,0|1,0,1]=4 4349 B10R0.18 C=CCCC(C)OC(C)C#N 7a_100000765329_100000703298 [0,2,0,0,0,0|1,0,1]=4 4350 B10R0.18 C=CCCC(C)OC(C)CC 34a_100000765329_100011215416 [0,2,0,0,0,0|1,0,1]=4 4351 B10R0.18 C=CCCC(C)OC(C)CC 7a_100000765329_100000758301 [0,2,0,0,0,0|1,0,1]=4 4352 B10R0.18 C=CCCC(C)OC(C)CO 34a_100000765329_100012180447 [0,2,0,0,0,0|0,0,2]=4 4353 B10R0.18 C=CCCC(C)OC(C)CO 7a_100000765329_100012180447 [0,2,0,0,0,0|0,0,2]=4 4354 B10R0.18 C=CCCN(C)CC(=O)CC 269982a_100020639649_100000747405 [0,2,0,0,0,0|2,0,0]=4 4355 B10R0.18 C=CCCN(C)CC(=O)NC 2230a_100000189611_100000754431 [0,2,0,0,0,0|2,0,0]=4 4356 B10R0.18 C=CCCN(C)CC(=O)NC 2230a_100020639649_100000183359 [0,2,0,0,0,0|2,0,0]=4 4357 B10R0.18 C=CCCN(C)CC(=O)NC 269982a_100020639649_100000183359 [0,2,0,0,0,0|2,0,0]=4 4358 B10R0.18 C=CCCN(C)CC(=O)OC 2230a_100000198492_100000754431 [0,2,0,0,0,0|2,0,0]=4 4359 B10R0.18 C=CCCN(C)CC(=O)OC 2230a_100020639649_100000747449 [0,2,0,0,0,0|2,0,0]=4 4360 B10R0.18 C=CCCN(C)CC(=O)OC 269982a_100020639649_100000747449 [0,2,0,0,0,0|2,0,0]=4 4361 B10R0.18 C=CCNC(C)CC(=O)OC 2230a_100020586998_100009817358 [0,2,0,0,0,0|2,0,0]=4 4362 B10R0.18 C=CCOC(C)CC(=O)OC 34a_200000210373_100009817358 [0,2,0,0,0,0|2,0,0]=4 4363 B10R0.18 C=CCSC(C)CC(=O)OC 62a_100000210623_100009817358 [0,2,0,0,0,0|2,0,0]=4 4364 B10R0.18 C=CCSC(C)CC(=O)OC 62a_100009817358_100000210623 [0,2,0,0,0,0|2,0,0]=4 4365 B10R0.28 C=CCCC(C)OC(C)(C)C 34a_100000765329_100000210625 [0,2,0,0,0,0|1,0,1]=4 4366 B10R0.32 C=CCC(=O)C(C)OC(=O)C 1458a_100000210193_100009818208 [0,2,0,0,0,0|0,0,1]=3 4367 B10R0.32 C=CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210623 [0,2,0,0,0,0|1,0,1]=4 4368 B10R0.32 C=CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210623 [0,2,0,0,0,0|0,0,1]=3 4369 B10R0.32 C=CCN(C)C(C)OC(=O)C 269982a_100000225617_100009818208 [0,2,0,0,0,0|1,0,0]=3 4370 B10R0.81 C=CCCC(=O)C(C)C(=O)C 1458a_100000749702_100000179758 [0,2,0,0,0,0|1,0,1]=4 4371 B10R0.81 C=CCCN(C)C(C)C(=O)C 2230a_100020639649_100009814033 [0,2,0,0,0,0|2,0,0]=4 4372 B10R0.81 C=CCCN(C)C(C)C(=O)C 269982a_100020639649_100009814033 [0,2,0,0,0,0|2,0,0]=4 4373 B10R0.96 C=C(C)CC(=O)CNC(=O)C 1458a_100000194580_100000748629 [0,2,0,0,0,0|1,0,1]=4 4374 B10R0.96 C=C(C)CC(=O)COC(=O)C 1458a_100000183556_100000748629 [0,2,0,0,0,0|0,0,1]=3 4375 B10R0.96 C=C(C)CC(=O)CSC(=O)C 1458a_100000049016_100000748629 [0,2,0,0,0,0|0,1,1]=4 4376 B10R0.96 C=C(C)CN(C)CCC(=O)C 269982a_100000225649_100000053229 [0,2,0,0,0,0|2,0,0]=4 4377 B10R0.96 C=C(C)CN(C)COC(=O)C 269982a_100000225649_100000076356 [0,2,0,0,0,0|1,0,0]=3 4378 B10R0.96 C=C(C)CSC(C)OC(=O)C 62a_100000748629_100009818208 [0,2,0,0,0,0|1,0,0]=3 4379 B10R0.96 C=C(C)CSC(C)OC(=O)C 62a_100009818208_100000211660 [0,2,0,0,0,0|1,0,0]=3 4380 B10R0.96 C=C(F)CC(=O)CNC(=O)C 1458a_100000194580_100009893438 [0,2,0,0,0,0|1,0,1]=4 4381 B10R0.96 C=C(F)CC(=O)COC(=O)C 1458a_100000183556_100009893438 [0,2,0,0,0,0|0,0,1]=3 4382 B10R0.96 C=C(F)CC(=O)CSC(=O)C 1458a_100000049016_100009893438 [0,2,0,0,0,0|0,1,1]=4 4383 B10R0.96 C=C(F)CSC(C)OC(=O)C 62a_100000042424_100009818208 [0,2,0,0,0,0|1,0,0]=3 4384 B10R0.96 C=C(F)CSC(C)OC(=O)C 62a_100009818208_100000042424 [0,2,0,0,0,0|1,0,0]=3 4385 B10R0.96 CC(=O)CC(C)CSC(=O)C 1458a_100000070787_200000116872 [0,2,0,0,0,0|0,1,1]=4 4386 B10R0.96 CC(=O)OC(C)NCC(=O)O 269956a_100016091260_100009818208 [0,2,0,0,0,0|2,0,0]=4 4387 B10R0.96 CC(=O)OC(C)SCC(=O)N 62a_100000747473_100009818208 [0,2,0,0,0,0|2,0,0]=4 4388 B10R0.96 CC(=O)OC(C)SCC(=O)N 62a_100009818208_100000747473 [0,2,0,0,0,0|2,0,0]=4 4389 B10R0.96 CC(=O)OC(C)SCC(=O)[O-] 62a_100009818208_100020667443 [0,2,0,0,0,0|2,0,0]=4 4390 B10R0.96 CC(=O)OC(C)SCC(=O)[O-] 62a_100020667443_100009818208 [0,2,0,0,0,0|2,0,0]=4 4391 B10R0.96 CC(=O)OCC(=O)CC(=O)N 1458a_100000183556_100000187820 [0,2,0,0,0,0|1,0,1]=4 4392 B10R0.96 CC(=O)OCC(=O)CC(=O)[O-] 1458a_100000183556_100020667443 [0,2,0,0,0,0|1,0,1]=4 4393 B10R0.96 CC(=O)OCC(O)CN(C)C 269982a_100102631434_200000139349 [0,2,0,0,0,0|1,0,1]=4 4394 B10R0.96 CC(=O)OCN(C)CC(=O)O 269956a_100000746989_100000076356 [0,2,0,0,0,0|2,0,0]=4 4395 B10R0.122 C=CCOC(C)(C)CC(=O)C 7a_100000210262_100015514636 [0,2,0,0,0,0|2,0,0]=4 4396 B10R0.62 C#CC(C)(C)OCCCC=C 34a_100000189450_100000757094 [0,2,0,0,0,0|1,0,1]=4 4397 B10R0.62 C#CC(C)(C)OCCCC=C 34a_100000758997_100000038118 [0,2,0,0,0,0|1,0,1]=4 4398 B10R0.62 C#CC(C)(C)OCCCC=C 7a_100000189450_100000757094 [0,2,0,0,0,0|1,0,1]=4 4399 B10R0.62 C=CCCCNS(=O)(=O)CC 270084a_100000700776_100000211323 [0,2,0,0,0,0|2,0,0]=4 4400 B10R0.62 C=CCCCNS(=O)(=O)CC 274078a_100000700776_100000211323 [0,2,0,0,0,0|2,0,0]=4 4401 B10R0.62 C=CCCCNS(=O)(=O)CC 40a_100000700776_100000053943 [0,2,0,0,0,0|2,0,0]=4 4402 B10R0.62 C=CCCCNS(=O)(=O)CCl 270084a_100000700776_100000031410 [0,2,0,0,0,0|2,0,0]=4 4403 B10R0.62 C=CCCCNS(=O)(=O)CCl 274078a_100000700776_100000031410 [0,2,0,0,0,0|2,0,0]=4 4404 B10R0.62 C=CCCCOC(C)(C)C#N 34a_100000758997_100011162410 [0,2,0,0,0,0|1,0,1]=4 4405 B10R0.62 C=CCCCOC(C)(C)C#N 34a_200015195151_100000757094 [0,2,0,0,0,0|1,0,1]=4 4406 B10R0.62 C=CCCCOC(C)(C)C#N 7a_100000758997_100011162410 [0,2,0,0,0,0|1,0,1]=4 4407 B10R0.62 C=CCCCOC(C)(C)C=C 34a_100011215311_100000757094 [0,2,0,0,0,0|1,0,1]=4 4408 B10R0.62 C=CCCCOC(C)(C)C=C 7a_100011215311_100000757094 [0,2,0,0,0,0|1,0,1]=4 4409 B10R0.62 C=CCCCOC(C)(C)CC 7a_100000210230_100000757094 [0,2,0,0,0,0|1,0,1]=4 4410 B10R0.62 C=CCCCOC(C)(C)CC 7a_100000758997_100000210677 [0,2,0,0,0,0|1,0,1]=4 4411 B10R0.62 C=CCCCOC(C)(C)CCl 7a_100000764493_100000757094 [0,2,0,0,0,0|1,0,1]=4 4412 B10R0.109 C=CCC(C)COC(C)(C)C 34a_100009832082_100000210625 [0,2,0,0,0,0|1,0,1]=4 4413 B10R0.109 C=CC[C@@H](N)COC(C)(C)C 34a_100020615467_100000210625 [0,2,0,0,0,0|1,0,1]=4 4414 B10R0.1 C#CCC(=O)CCCCC=C 1458a_100011215552_100000184674 [0,2,0,0,0,0|1,0,0]=3 4415 B10R0.1 C#CCC(=O)CCCCC=C 1458a_100011220946_100011215482 [0,2,0,0,0,0|1,0,0]=3 4416 B10R0.1 C#CCC(=O)CCOCC=C 1458a_200011217002_100000184674 [0,2,0,0,0,0|2,0,0]=4 4417 B10R0.1 C#CCC(=O)NCCCC=C 1626a_100000700776_100011220946 [0,2,0,0,0,0|1,0,0]=3 4418 B10R0.1 C#CCC(=O)NCCCC=C 527a_100000700776_100011220946 [0,2,0,0,0,0|1,0,0]=3 4419 B10R0.1 C#CCC(C)OCCCC=C 34a_100000685586_100000757094 [0,2,0,0,0,0|1,0,1]=4 4420 B10R0.1 C#CCC(C)OCCCC=C 7a_100000685586_100000757094 [0,2,0,0,0,0|1,0,1]=4 4421 B10R0.1 C=CCCCCC(=O)C#CC 1458a_100000763181_100011215482 [0,2,0,0,0,0|1,0,0]=3 4422 B10R0.1 C=CCCCCC(=O)C=CBr 1458a_100016273825_100011215482 [0,2,0,0,0,0|1,0,1]=4 4423 B10R0.1 C=CCCCCC(=O)C=CC 1458a_100000210699_100011215482 [0,2,0,0,0,0|1,0,0]=3 4424 B10R0.1 C=CCCCCC(=O)C=CCl 1458a_200016279998_100011215482 [0,2,0,0,0,0|1,0,1]=4 4425 B10R0.1 C=CCCCCC(=O)C=CI 1458a_100016256311_100011215482 [0,2,0,0,0,0|1,0,1]=4 4426 B10R0.1 C=CCCCCC(=O)CC#N 1458a_100011215552_100011214920 [0,2,0,0,0,0|1,0,0]=3 4427 B10R0.1 C=CCCCCC(=O)CC#N 1458a_100051588842_100011215482 [0,2,0,0,0,0|1,0,0]=3 4428 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100000210193_100011215482 [0,2,0,0,0,0|1,0,0]=3 4429 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100011215552_100000210623 [0,2,0,0,0,0|1,0,0]=3 4430 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,2,0,0,0,0|1,0,0]=3 4431 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,2,0,0,0,0|1,0,0]=3 4432 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [0,2,0,0,0,0|1,0,0]=3 4433 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,2,0,0,0,0|1,0,0]=3 4434 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,2,0,0,0,0|1,0,0]=3 4435 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,2,0,0,0,0|1,0,0]=3 4436 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [0,2,0,0,0,0|1,0,0]=3 4437 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,2,0,0,0,0|1,0,0]=3 4438 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,2,0,0,0,0|1,0,0]=3 4439 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,2,0,0,0,0|1,0,0]=3 4440 B10R0.1 C=CCCCCC(=O)NNC 22a_100016993582_100011215552 [0,2,0,0,0,0|1,0,0]=3 4441 B10R0.1 C=CCCCCN(C)CC=O 2230a_100012000471_200015260668 [0,2,0,0,0,0|2,0,0]=4 4442 B10R0.1 C=CCCCCN(C)CC=O 269982a_100012000471_200015260668 [0,2,0,0,0,0|2,0,0]=4 4443 B10R0.1 C=CCCCNC(=O)C=CBr 1626a_100000700776_100016273825 [0,2,0,0,0,0|1,0,1]=4 4444 B10R0.1 C=CCCCNC(=O)C=CBr 240690a_100000700776_100016273825 [0,2,0,0,0,0|1,0,1]=4 4445 B10R0.1 C=CCCCNC(=O)C=CC 11a_100000700776_100000210699 [0,2,0,0,0,0|1,0,0]=3 4446 B10R0.1 C=CCCCNC(=O)C=CC 1626a_100000700776_100000210699 [0,2,0,0,0,0|1,0,0]=3 4447 B10R0.1 C=CCCCNC(=O)C=CC 240690a_100000700776_100000210699 [0,2,0,0,0,0|1,0,0]=3 4448 B10R0.1 C=CCCCNC(=O)C=CCl 11a_100000700776_200016279998 [0,2,0,0,0,0|1,0,1]=4 4449 B10R0.1 C=CCCCNC(=O)C=CCl 1626a_100000700776_200016279998 [0,2,0,0,0,0|1,0,1]=4 4450 B10R0.1 C=CCCCNC(=O)C=CCl 240690a_100000700776_200016279998 [0,2,0,0,0,0|1,0,1]=4 4451 B10R0.1 C=CCCCNC(=O)C=CI 1626a_100000700776_100016256311 [0,2,0,0,0,0|1,0,1]=4 4452 B10R0.1 C=CCCCNC(=O)CC#N 1626a_100000700776_100051588842 [0,2,0,0,0,0|1,0,0]=3 4453 B10R0.1 C=CCCCNC(=O)CC#N 240690a_100000700776_100051588842 [0,2,0,0,0,0|1,0,0]=3 4454 B10R0.1 C=CCCCNC(=O)CC=C 11a_100000700776_100000210193 [0,2,0,0,0,0|1,0,0]=3 4455 B10R0.1 C=CCCCNC(=O)CC=C 1626a_100000700776_100000210193 [0,2,0,0,0,0|1,0,0]=3 4456 B10R0.1 C=CCCCNC(=O)CC=C 240690a_100000700776_100000210193 [0,2,0,0,0,0|1,0,0]=3 4457 B10R0.1 C=CCCCNC(=O)CC=C 527a_100000700776_100000210193 [0,2,0,0,0,0|1,0,0]=3 4458 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [0,2,0,0,0,0|1,0,0]=3 4459 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [0,2,0,0,0,0|1,0,0]=3 4460 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [0,2,0,0,0,0|1,0,0]=3 4461 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [0,2,0,0,0,0|1,0,0]=3 4462 B10R0.1 C=CCCCNC(=O)CCO 240690a_100000700776_100011216618 [0,2,0,0,0,0|1,0,0]=3 4463 B10R0.1 C=CCCCNC(=O)COC 11a_100000700776_100000210968 [0,2,0,0,0,0|1,0,0]=3 4464 B10R0.1 C=CCCCNC(=O)COC 1626a_100000700776_100000210968 [0,2,0,0,0,0|1,0,0]=3 4465 B10R0.1 C=CCCCNC(=O)COC 240690a_100000700776_100000210968 [0,2,0,0,0,0|1,0,0]=3 4466 B10R0.1 C=CCCCNC(=O)COC 527a_100000700776_100000210968 [0,2,0,0,0,0|1,0,0]=3 4467 B10R0.1 C=CCCCNC(=O)CSC 11a_100000700776_100000184570 [0,2,0,0,0,0|1,0,0]=3 4468 B10R0.1 C=CCCCNC(=O)CSC 1626a_100000700776_100000184570 [0,2,0,0,0,0|1,0,0]=3 4469 B10R0.1 C=CCCCNC(=O)CSC 240690a_100000700776_100000184570 [0,2,0,0,0,0|1,0,0]=3 4470 B10R0.1 C=CCCCNC(=O)CSC 527a_100000700776_100000184570 [0,2,0,0,0,0|1,0,0]=3 4471 B10R0.1 C=CCCCNC(=O)NCC 2708a_100000700776_100015525214 [0,2,0,0,0,0|1,0,0]=3 4472 B10R0.1 C=CCCCNC(=O)NCC 2708a_100015525214_100000700776 [0,2,0,0,0,0|1,0,0]=3 4473 B10R0.1 C=CCCCNC(=O)NCC 273464a_100000700776_100015525214 [0,2,0,0,0,0|1,0,0]=3 4474 B10R0.1 C=CCCCNC(=O)NCC 273464a_100015525214_100000700776 [0,2,0,0,0,0|1,0,0]=3 4475 B10R0.1 C=CCCCNC(=O)NCC 512a_100000700776_100015525214 [0,2,0,0,0,0|1,0,0]=3 4476 B10R0.1 C=CCCCNC(=O)NCC 512a_100015525214_100000700776 [0,2,0,0,0,0|1,0,0]=3 4477 B10R0.1 C=CCCCNC(=O)NNC 273464a_100000700776_100016993582 [0,2,0,0,0,0|1,0,0]=3 4478 B10R0.1 C=CCCCNC(=O)NNC 512a_100000700776_100016993582 [0,2,0,0,0,0|1,0,0]=3 4479 B10R0.1 C=CCCCNC(=O)NNC 512a_100016993582_100000700776 [0,2,0,0,0,0|1,0,0]=3 4480 B10R0.1 C=CCCCOC(C)/C=C/C 34a_200102604097_100000757094 [0,2,0,0,0,0|1,0,1]=4 4481 B10R0.1 C=CCCCOC(C)C#CC 34a_100011216543_100000757094 [0,2,0,0,0,0|1,0,1]=4 4482 B10R0.1 C=CCCCOC(C)CC#N 7a_100000758997_100009813641 [0,2,0,0,0,0|1,0,1]=4 4483 B10R0.1 C=CCCCOC(C)CCBr 34a_100012276601_100000757094 [0,2,0,0,0,0|1,0,1]=4 4484 B10R0.1 C=CCCCOC(C)CCC 34a_100000758997_100000766640 [0,2,0,0,0,0|1,0,1]=4 4485 B10R0.1 C=CCCCOC(C)CCC 34a_100000764384_100000757094 [0,2,0,0,0,0|1,0,1]=4 4486 B10R0.1 C=CCCCOC(C)CCC 7a_100000758997_100000766640 [0,2,0,0,0,0|1,0,1]=4 4487 B10R0.1 C=CCCCOC(C)CCC 7a_100000764384_100000757094 [0,2,0,0,0,0|1,0,1]=4 4488 B10R0.1 C=CCCCOC(C)CCO 34a_100000758997_100009893172 [0,2,0,0,0,0|0,0,2]=4 4489 B10R0.1 C=CCCCOC(C)CCO 7a_100000758997_100009893172 [0,2,0,0,0,0|0,0,2]=4 4490 B10R0.1 C=CCCCOC(C)COC 34a_100000758997_100000765312 [0,2,0,0,0,0|0,0,2]=4 4491 B10R0.1 C=CCCCOC(C)COC 7a_100000758997_100000765312 [0,2,0,0,0,0|0,0,2]=4 4492 B10R0.1 C=CCCCO[C@H](C)CC=C 34a_100000731007_100000757094 [0,2,0,0,0,0|1,0,1]=4 4493 B10R0.1 C=CCCCO[C@H](C)CC=C 7a_100000731007_100000757094 [0,2,0,0,0,0|1,0,1]=4 4494 B10R0.1 C=CCCCO[C@H](C)COC 34a_100011934205_100000757094 [0,2,0,0,0,0|0,0,2]=4 4495 B10R0.1 C=CCCNCC(=O)CCC 2230a_100015191253_100000747444 [0,2,0,0,0,0|2,0,0]=4 4496 B10R0.1 C=CCCNCC(=O)NCC 2230a_100015191253_100000183381 [0,2,0,0,0,0|2,0,0]=4 4497 B10R0.1 C=CCCNCC(=O)NCC 2230a_100016988866_100000754431 [0,2,0,0,0,0|2,0,0]=4 4498 B10R0.1 C=CCCNCC(=O)NCO 2230a_100015191253_100000185155 [0,2,0,0,0,0|2,0,0]=4 4499 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [0,2,0,0,0,0|2,0,0]=4 4500 B10R0.1 C=CCCOCC(=O)NCC 34a_100011205117_100000183381 [0,2,0,0,0,0|2,0,0]=4 4501 B10R0.1 C=CCCOCC(=O)NCO 34a_100011205117_100000185155 [0,2,0,0,0,0|2,0,0]=4 4502 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [0,2,0,0,0,0|2,0,0]=4 4503 B10R0.1 C=CCCSCC(=O)CCC 62a_100000747444_100000754431 [0,2,0,0,0,0|2,0,0]=4 4504 B10R0.1 C=CCCSCC(=O)CCC 62a_100000754431_100000747444 [0,2,0,0,0,0|2,0,0]=4 4505 B10R0.1 C=CCCSCC(=O)NCC 62a_100000183381_100000754431 [0,2,0,0,0,0|2,0,0]=4 4506 B10R0.1 C=CCCSCC(=O)NCC 62a_100000754431_100000183381 [0,2,0,0,0,0|2,0,0]=4 4507 B10R0.1 C=CCCSCC(=O)NCO 62a_100000185155_100000754431 [0,2,0,0,0,0|2,0,0]=4 4508 B10R0.1 C=CCCSCC(=O)NCO 62a_100000754431_100000185155 [0,2,0,0,0,0|2,0,0]=4 4509 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [0,2,0,0,0,0|2,0,0]=4 4510 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [0,2,0,0,0,0|2,0,0]=4 4511 B10R0.1 C=CCNCCC(=O)NCC 2230a_100020586998_100000737597 [0,2,0,0,0,0|2,0,0]=4 4512 B10R0.1 C=CCNCCC(=O)NCC 34a_100025743525_100015514636 [0,2,0,0,0,0|2,0,0]=4 4513 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [0,2,0,0,0,0|2,0,0]=4 4514 B10R0.1 C=CCNCOC(=O)CCC 2230a_100020586998_100000034017 [0,2,0,0,0,0|1,0,0]=3 4515 B10R0.1 C=CCOCCC(=O)CC#N 1458a_200011217002_100011214920 [0,2,0,0,0,0|2,0,0]=4 4516 B10R0.1 C=CCOCCC(=O)CC=C 1458a_200011217002_100000210623 [0,2,0,0,0,0|2,0,0]=4 4517 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [0,2,0,0,0,0|2,0,0]=4 4518 B10R0.1 C=CCOCCC(=O)CCF 1458a_200011217002_100011217306 [0,2,0,0,0,0|2,0,0]=4 4519 B10R0.1 C=CCOCCC(=O)CCO 1458a_200011217002_100000211926 [0,2,0,0,0,0|2,0,0]=4 4520 B10R0.1 C=CCOCCC(=O)NCC 11a_100015525214_200011217002 [0,2,0,0,0,0|2,0,0]=4 4521 B10R0.1 C=CCOCCC(=O)NCC 240690a_100015525214_200011217002 [0,2,0,0,0,0|2,0,0]=4 4522 B10R0.1 C=CCOCCC(=O)NCC 527a_100015525214_200011217002 [0,2,0,0,0,0|2,0,0]=4 4523 B10R0.1 C=CCOCCC(=O)NNC 22a_100016993582_200011217002 [0,2,0,0,0,0|2,0,0]=4 4524 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [0,2,0,0,0,0|2,0,0]=4 4525 B10R0.1 C=CCOCOC(=O)CCC 34a_200000210373_100000034017 [0,2,0,0,0,0|1,0,0]=3 4526 B10R0.1 C=CCSCCC(=O)NCC 62a_100000210623_100000737597 [0,2,0,0,0,0|2,0,0]=4 4527 B10R0.1 C=CCSCCC(=O)NCC 62a_100000737597_100000210623 [0,2,0,0,0,0|2,0,0]=4 4528 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [0,2,0,0,0,0|2,0,0]=4 4529 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [0,2,0,0,0,0|2,0,0]=4 4530 B10R0.1 C=CCSCOC(=O)CCC 62a_100000210623_100000034017 [0,2,0,0,0,0|1,0,0]=3 4531 B10R0.1 C=CCSCOC(=O)OCC 62a_100000210623_100000075025 [0,2,0,0,0,0|1,0,0]=3 4532 B10R0.1 CCCC(=O)OCSCC=O 62a_200015260668_100000034017 [0,2,0,0,0,0|2,0,0]=4 4533 B10R0.1 CCOC(=O)OCSCC=O 62a_200015260668_100000075025 [0,2,0,0,0,0|2,0,0]=4 4534 B10R0.41 C#CC(CC)OCCCC=C 34a_100000758843_100000757094 [0,2,0,0,0,0|1,0,1]=4 4535 B10R0.41 C#CC(CC)OCCCC=C 7a_100000758843_100000757094 [0,2,0,0,0,0|1,0,1]=4 4536 B10R0.41 C=CCCCOC(C=C)CC 34a_100000766422_100000757094 [0,2,0,0,0,0|1,0,1]=4 4537 B10R0.41 C=CCCCOC(C=C)CC 7a_100000766422_100000757094 [0,2,0,0,0,0|1,0,1]=4 4538 B10R0.41 C=CCCCOC(C=O)C=O 34a_100000758997_100000736813 [0,2,0,0,0,0|0,0,2]=4 4539 B10R0.41 C=CCCCOC(CC)CC 7a_100000688536_100000757094 [0,2,0,0,0,0|1,0,1]=4 4540 B10R0.41 C=CCCCOC(CC)CC 7a_100000758997_100000210505 [0,2,0,0,0,0|1,0,1]=4 4541 B10R0.41 C=CCCCOC(CCl)CCl 7a_100000737055_100000757094 [0,2,0,0,0,0|1,0,1]=4 4542 B10R0.41 C=CCCCOC(CF)CF 34a_100000032261_100000757094 [0,2,0,0,0,0|1,0,1]=4 4543 B10R0.41 C=CCCCOC(CF)CF 7a_100000032261_100000757094 [0,2,0,0,0,0|1,0,1]=4 4544 B10R0.41 C=CCCCOC(CN)CN 34a_100000031598_100000757094 [0,2,0,0,0,0|1,0,1]=4 4545 B10R0.41 C=CCCCO[C@@H](CF)CCl 34a_100015614560_100000757094 [0,2,0,0,0,0|1,0,1]=4 4546 B10R0.41 C=CCCCO[C@@H](CF)CCl 7a_100015614560_100000757094 [0,2,0,0,0,0|1,0,1]=4 4547 B10R0.83 C=CCCCC(=O)/C(=C/C)/C 1458a_100020587367_100000757094 [0,2,0,0,0,0|2,0,0]=4 4548 B10R0.83 C=CCCCC(=O)C(=O)NC 1458a_100011218921_100000757094 [0,2,0,0,0,0|1,0,0]=3 4549 B10R0.83 C=CCCNC(=O)C(=O)NC 1626a_100015191253_100011218921 [0,2,0,0,0,0|2,0,0]=4 4550 B10R0.83 C=CCCNC(=O)C(=O)NC 240690a_100015191253_100011218921 [0,2,0,0,0,0|2,0,0]=4 4551 B10R0.83 C=CCCNC(=O)C(=O)NC 527a_100015191253_100011218921 [0,2,0,0,0,0|2,0,0]=4 4552 B10R0.83 C=CCCNC(=O)C(=O)OC 11a_100015191253_100000024059 [0,2,0,0,0,0|2,0,0]=4 4553 B10R0.83 C=CCCNC(=O)C(=O)OC 1626a_100015191253_100000024059 [0,2,0,0,0,0|2,0,0]=4 4554 B10R0.83 C=CCCNC(=O)C(=O)OC 240690a_100015191253_100000024059 [0,2,0,0,0,0|2,0,0]=4 4555 B10R0.83 C=CCCNC(=O)C(=O)OC 527a_100015191253_100000024059 [0,2,0,0,0,0|2,0,0]=4 4556 B10R0.83 C=CCCNC(C)C(=O)CC 2230a_100015191253_100000742827 [0,2,0,0,0,0|2,0,0]=4 4557 B10R0.83 C=CCCNC(C)C(=O)NC 2230a_100015191253_100000731044 [0,2,0,0,0,0|2,0,0]=4 4558 B10R0.83 C=CCCNC(C)C(=O)OC 2230a_100015191253_100000211248 [0,2,0,0,0,0|2,0,0]=4 4559 B10R0.83 C=CCCNC(F)C(=O)NC 2230a_100015191253_100009813575 [0,2,0,0,0,0|2,0,0]=4 4560 B10R0.83 C=CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000754431 [0,2,0,0,0,0|2,0,0]=4 4561 B10R0.83 C=CCCN[C@H](C)C(=O)NC 34a_100000684985_100000754431 [0,2,0,0,0,0|2,0,0]=4 4562 B10R0.83 C=CCCOC(C)C(=O)NC 34a_100011205117_100000731044 [0,2,0,0,0,0|2,0,0]=4 4563 B10R0.83 C=CCCOC(C)C(=O)OC 34a_100011205117_100000211248 [0,2,0,0,0,0|2,0,0]=4 4564 B10R0.83 C=CCCOC(C)C(=O)OC 34a_100011215400_100000754431 [0,2,0,0,0,0|2,0,0]=4 4565 B10R0.83 C=CCCOC(F)C(=O)NC 34a_100011205117_100009813575 [0,2,0,0,0,0|2,0,0]=4 4566 B10R0.83 C=CCCSC(C)C(=O)CC 62a_100000742827_100000754431 [0,2,0,0,0,0|2,0,0]=4 4567 B10R0.83 C=CCCSC(C)C(=O)CC 62a_100000754431_100000742827 [0,2,0,0,0,0|2,0,0]=4 4568 B10R0.83 C=CCCSC(C)C(=O)NC 62a_100000209862_100000754431 [0,2,0,0,0,0|2,0,0]=4 4569 B10R0.83 C=CCCSC(C)C(=O)NC 62a_100000754431_100000731044 [0,2,0,0,0,0|2,0,0]=4 4570 B10R0.83 C=CCCSC(C)C(=O)OC 62a_100000211248_100000754431 [0,2,0,0,0,0|2,0,0]=4 4571 B10R0.83 C=CCCSC(C)C(=O)OC 62a_100000754431_100000211248 [0,2,0,0,0,0|2,0,0]=4 4572 B10R0.83 C=CCCSC(F)C(=O)NC 62a_100000754431_100009813575 [0,2,0,0,0,0|2,0,0]=4 4573 B10R0.83 C=CCCSC(F)C(=O)NC 62a_100009813575_100000754431 [0,2,0,0,0,0|2,0,0]=4 4574 B10R0.83 C=CCNCC(C)C(=O)NC 2230a_100015187722_100000210623 [0,2,0,0,0,0|2,0,0]=4 4575 B10R0.83 C=CCNCC(C)C(=O)NC 34a_100015187722_100015514636 [0,2,0,0,0,0|2,0,0]=4 4576 B10R0.83 C=CCOCC(=C)C(=O)OC 34a_200000210373_100009813391 [0,2,0,0,0,0|2,0,0]=4 4577 B10R0.83 C=CCOCC(=O)C(=O)OC 34a_200000210373_100011610305 [0,2,0,0,0,0|2,0,0]=4 4578 B10R0.83 C=CCOCC(C)C(=O)OC 34a_100000749362_100015514636 [0,2,0,0,0,0|2,0,0]=4 4579 B10R0.83 C=CCOCC(C)C(=O)OC 34a_200000210373_100000698445 [0,2,0,0,0,0|2,0,0]=4 4580 B10R0.83 C=CCOCC(C)C(=O)OC 7a_100000749362_100015514636 [0,2,0,0,0,0|2,0,0]=4 4581 B10R0.83 C=CCOCC(F)C(=O)OC 34a_200009849844_100015514636 [0,2,0,0,0,0|2,0,0]=4 4582 B10R0.83 C=CCOC[C@@H](N)C(=O)OC 34a_100000003586_100015514636 [0,2,0,0,0,0|2,0,0]=4 4583 B10R0.83 C=CCSCC(=C)C(=O)OC 62a_100000210623_100009813391 [0,2,0,0,0,0|2,0,0]=4 4584 B10R0.83 C=CCSCC(=C)C(=O)OC 62a_100009813391_100000210623 [0,2,0,0,0,0|2,0,0]=4 4585 B10R0.83 C=CCSCC(=O)C(=O)OC 62a_100000210623_100011610305 [0,2,0,0,0,0|2,0,0]=4 4586 B10R0.83 C=CCSCC(=O)C(=O)OC 62a_100011610305_100000210623 [0,2,0,0,0,0|2,0,0]=4 4587 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000210623_100000698445 [0,2,0,0,0,0|2,0,0]=4 4588 B10R0.83 C=CCSCC(C)C(=O)OC 62a_100000698445_100000210623 [0,2,0,0,0,0|2,0,0]=4 4589 B10R0.83 C=COCCC(=O)C(=O)NC 1458a_100011218921_100000039644 [0,2,0,0,0,0|2,0,0]=4 4590 B10R0.108 C#CC(C)OCC(C)CC=C 34a_100009832082_200000035995 [0,2,0,0,0,0|1,0,1]=4 4591 B10R0.108 C#CC(C)OC[C@H](N)CC=C 34a_100020615467_200000035995 [0,2,0,0,0,0|1,0,1]=4 4592 B10R0.108 C=CCC(=O)CCC(=O)NC 1458a_100011309844_100000210623 [0,2,0,0,0,0|1,0,1]=4 4593 B10R0.108 C=CCC(=O)CCC(=O)OC 1458a_100000187943_100000210623 [0,2,0,0,0,0|1,0,1]=4 4594 B10R0.108 C=CCC(=O)CNC(=O)CC 1458a_100000194589_100000210623 [0,2,0,0,0,0|1,0,1]=4 4595 B10R0.108 C=CCC(=O)CNC(=O)OC 1458a_100000215747_100000210623 [0,2,0,0,0,0|1,0,1]=4 4596 B10R0.108 C=CCC(C)COC(C)C#N 7a_100009832082_100000703298 [0,2,0,0,0,0|1,0,1]=4 4597 B10R0.108 C=CCC(C)COC(C)CC 34a_100009832082_100011215416 [0,2,0,0,0,0|1,0,1]=4 4598 B10R0.108 C=CCC(C)COC(C)CC 7a_100009832082_100000758301 [0,2,0,0,0,0|1,0,1]=4 4599 B10R0.108 C=CCC(C)COC(C)CO 34a_100009832082_100012180447 [0,2,0,0,0,0|0,0,2]=4 4600 B10R0.108 C=CCC(C)COC(C)CO 7a_100009832082_100012180447 [0,2,0,0,0,0|0,0,2]=4 4601 B10R0.108 C=CCN(C)CCC(=O)NC 2230a_100000225617_100000737683 [0,2,0,0,0,0|2,0,0]=4 4602 B10R0.108 C=CCN(C)CCC(=O)NC 2230a_100000750875_100000210623 [0,2,0,0,0,0|2,0,0]=4 4603 B10R0.108 C=CCN(C)CCC(=O)NC 269982a_100000225617_100000737683 [0,2,0,0,0,0|2,0,0]=4 4604 B10R0.108 C=CCN(C)CCC(=O)NC 269982a_100000750875_100000210623 [0,2,0,0,0,0|2,0,0]=4 4605 B10R0.108 C=CCN(C)CCC(=O)OC 2230a_100000225617_100000204255 [0,2,0,0,0,0|2,0,0]=4 4606 B10R0.108 C=CCN(C)CCC(=O)OC 269982a_100000225617_100000204255 [0,2,0,0,0,0|2,0,0]=4 4607 B10R0.108 C=CCN(C)CCC(=O)OC 269982a_100025711912_100000210623 [0,2,0,0,0,0|2,0,0]=4 4608 B10R0.108 C=CC[C@@H](C)OCC(=O)CC 7a_100000731007_100000747405 [0,2,0,0,0,0|2,0,0]=4 4609 B10R0.108 C=CC[C@@H](C)OCC(=O)NC 34a_100000731007_100000183359 [0,2,0,0,0,0|2,0,0]=4 4610 B10R0.108 C=CC[C@@H](C)OCC(=O)NC 7a_100000731007_100000183359 [0,2,0,0,0,0|2,0,0]=4 4611 B10R0.108 C=CC[C@@H](C)OCC(=O)OC 34a_100000731007_100000747449 [0,2,0,0,0,0|2,0,0]=4 4612 B10R0.108 C=CC[C@@H](C)OCC(=O)OC 7a_100000731007_100000747449 [0,2,0,0,0,0|2,0,0]=4 4613 B10R0.108 C=CC[C@@H](N)COC(C)CC 34a_100020615467_100011215416 [0,2,0,0,0,0|1,0,1]=4 4614 B10R0.108 C=CC[C@@H](N)COC(C)CO 34a_100020615467_100012180447 [0,2,0,0,0,0|0,0,2]=4 4615 B10R0.26 C=CCC(=O)CC(=O)C(=O)C 1458a_100000210193_100011261029 [0,2,0,0,0,0|1,0,1]=4 4616 B10R0.26 C=CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210623 [0,2,0,0,0,0|1,0,1]=4 4617 B10R0.26 C=CCN(C)CC(=O)C(=O)C 269982a_100000225617_100011261029 [0,2,0,0,0,0|2,0,0]=4 4618 B10R0.26 C=CC[C@@H](C)OC(C)C(=O)C 7a_100000731007_100000179758 [0,2,0,0,0,0|2,0,0]=4 4619 B10R0.42 C=CCCOC(C)(C)C(=O)C 34a_100000747739_100000754431 [0,2,0,0,0,0|2,0,0]=4 4620 B10R0.42 C=CCCOC(C)(C)C(=O)C 7a_100000747739_100000754431 [0,2,0,0,0,0|2,0,0]=4 4621 B10R0.42 C=CCCSC(C)(C)C(=O)C 62a_100000075568_100000754431 [0,2,0,0,0,0|2,0,0]=4 4622 B10R0.42 C=CCCSC(C)(C)C(=O)C 62a_100000754431_100000075568 [0,2,0,0,0,0|2,0,0]=4 4623 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [1,0,0,1,0,0|2,0,0]=4 4624 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [1,0,0,1,0,0|2,0,0]=4 4625 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [1,0,0,1,0,0|2,0,0]=4 4626 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [1,0,0,1,0,0|2,0,0]=4 4627 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [1,0,0,1,0,0|2,0,0]=4 4628 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [1,0,0,1,0,0|2,0,0]=4 4629 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [1,0,0,1,0,0|2,0,0]=4 4630 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [1,0,0,1,0,0|2,0,0]=4 4631 B8R1.8 C=CCN1CC=CC1 269982a_100015195280_100000210623 [1,0,0,1,0,0|2,0,0]=4 4632 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [1,0,0,1,0,0|1,0,1]=4 4633 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [1,0,0,1,0,0|1,0,1]=4 4634 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [1,0,0,1,0,0|1,0,1]=4 4635 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [1,0,0,1,0,0|1,0,1]=4 4636 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [1,0,0,1,0,0|1,0,1]=4 4637 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [1,0,0,1,0,0|1,0,1]=4 4638 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [1,0,0,1,0,0|1,0,1]=4 4639 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [1,0,0,1,0,0|1,0,1]=4 4640 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [1,0,0,1,0,0|1,0,1]=4 4641 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|1,0,1]=4 4642 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|1,0,1]=4 4643 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|1,0,1]=4 4644 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|1,0,1]=4 4645 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|1,0,1]=4 4646 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|1,0,1]=4 4647 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|1,0,1]=4 4648 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|1,0,1]=4 4649 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|1,0,1]=4 4650 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|1,0,1]=4 4651 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|1,0,1]=4 4652 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|1,0,1]=4 4653 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|1,0,0]=3 4654 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [1,0,0,1,0,0|2,0,0]=4 4655 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [1,0,0,1,0,0|1,0,1]=4 4656 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,1,0,0|0,0,2]=4 4657 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|0,0,2]=4 4658 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|0,0,2]=4 4659 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|1,0,1]=4 4660 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|1,0,1]=4 4661 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|1,0,1]=4 4662 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|1,0,1]=4 4663 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|1,0,1]=4 4664 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|1,0,1]=4 4665 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|1,0,0]=3 4666 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [1,0,0,1,0,0|2,0,0]=4 4667 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [1,0,0,1,0,0|1,0,1]=4 4668 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,1,0,0|0,0,2]=4 4669 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|0,0,2]=4 4670 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|1,0,1]=4 4671 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|1,0,1]=4 4672 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|1,0,1]=4 4673 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [1,0,0,1,0,0|2,0,0]=4 4674 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [1,0,0,1,0,0|2,0,0]=4 4675 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 4676 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 4677 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 4678 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [1,0,0,1,0,0|2,0,0]=4 4679 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [1,0,0,1,0,0|1,0,0]=3 4680 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|1,0,1]=4 4681 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|1,0,1]=4 4682 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|1,0,1]=4 4683 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|0,0,2]=4 4684 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|0,0,2]=4 4685 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|1,0,1]=4 4686 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|1,0,1]=4 4687 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|1,0,1]=4 4688 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|1,0,1]=4 4689 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|1,0,1]=4 4690 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|1,0,1]=4 4691 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|1,0,1]=4 4692 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|0,0,2]=4 4693 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|1,0,1]=4 4694 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|0,0,2]=4 4695 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|0,0,2]=4 4696 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|1,0,1]=4 4697 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|1,0,1]=4 4698 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|1,0,1]=4 4699 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|1,0,1]=4 4700 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|1,0,1]=4 4701 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|0,0,2]=4 4702 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [1,0,0,1,0,0|1,0,1]=4 4703 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|0,0,2]=4 4704 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|0,0,2]=4 4705 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [1,0,0,1,0,0|1,0,1]=4 4706 B10R1.54 C=C(C)CN1CNC(=O)C1 2230a_200000708111_100000748629 [0,1,0,1,0,0|2,0,0]=4 4707 B10R1.54 C=C(F)CN1CNC(=O)C1 2230a_200000708111_100009893438 [0,1,0,1,0,0|2,0,0]=4 4708 B10R1.54 CC(=O)CC1CCC(=O)N1 1458a_100000026770_200000210301 [0,1,0,1,0,0|2,0,0]=4 4709 B10R1.54 CC(=O)CC1COC(=O)O1 1458a_100000070787_100000073702 [0,1,0,1,0,0|1,0,1]=4 4710 B10R1.54 CC(=O)C[C@@H]1CCC(=O)N1 1458a_100000070787_100015189358 [0,1,0,1,0,0|2,0,0]=4 4711 B10R1.54 CC(=O)C[C@H]1COC(=O)N1 1458a_100000070787_100015307671 [0,1,0,1,0,0|1,0,1]=4 4712 B10R1.54 [13CH3]C(=O)CC1CCC(=O)N1 1458a_100000026770_200025704644 [0,1,0,1,0,0|2,0,0]=4 4713 B10R1.73 CC(=O)OCN[C@@H]1C[C@H]1F 34a_100025746932_100009813279 [0,1,0,1,0,0|1,0,1]=4 4714 B10R1.117 C=C(C)COC1CCC1=O 34a_100000210245_100009892977 [0,1,0,1,0,0|2,0,0]=4 4715 B10R1.117 CC(=O)CCC1CCC1=O 1458a_100000070787_200016118888 [0,1,0,1,0,0|1,0,1]=4 4716 B10R1.117 CC(=O)COC1CCC1=O 34a_100000211253_100009892977 [0,1,0,1,0,0|1,0,0]=3 4717 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [0,1,0,1,0,0|0,0,2]=4 4718 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [0,1,0,1,0,0|0,0,2]=4 4719 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,1,0,1,0,0|0,0,2]=4 4720 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [0,1,0,1,0,0|1,0,1]=4 4721 B10R1.127 CC(=O)COCC1COC1 34a_100000211253_100010264016 [0,1,0,1,0,0|1,0,1]=4 4722 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [0,1,0,1,0,0|0,0,2]=4 4723 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [0,1,0,1,0,0|0,0,2]=4 4724 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [0,1,0,1,0,0|0,0,2]=4 4725 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [0,1,0,1,0,0|0,0,2]=4 4726 B10R1.127 CC(=O)OCSC1COC1 62a_100000076356_100009818527 [0,1,0,1,0,0|1,0,1]=4 4727 B10R1.150 C=CC(=O)CC1CC(=O)C1 1458a_100000185746_100009874392 [0,1,0,1,0,0|1,0,1]=4 4728 B10R1.10 C#CCN1CCOC(=O)C1 2230a_100000131268_100000038162 [0,1,0,1,0,0|0,0,2]=4 4729 B10R1.10 C=CCN1CCC=C(C1)C 2230a_100000725631_100000210623 [0,1,0,1,0,0|2,0,0]=4 4730 B10R1.10 C=CCN1CCC=C(C1)C 269982a_100000725631_100000210623 [0,1,0,1,0,0|2,0,0]=4 4731 B10R1.10 C=CCN1CCC=C(C1)C 34a_100000725631_100015514636 [0,1,0,1,0,0|2,0,0]=4 4732 B10R1.10 C=CCN1CCNC(=O)C1 2230a_100000184651_100000210623 [0,1,0,1,0,0|1,0,0]=3 4733 B10R1.10 C=CCN1CCOC(=O)C1 2230a_100000131268_100000210623 [0,1,0,1,0,0|0,0,0]=2 4734 B10R1.10 C=CCN1CCOC(C1)C 2230a_100000729577_100000210623 [0,1,0,1,0,0|1,0,1]=4 4735 B10R1.10 C=CCN1CCOC(C1)C 269982a_100000729577_100000210623 [0,1,0,1,0,0|1,0,1]=4 4736 B10R1.10 C=CCN1CCOC(C1)C 34a_100000729577_100015514636 [0,1,0,1,0,0|1,0,1]=4 4737 B10R1.10 C=CCN1CCOC(C1)O 2230a_100000688207_100000210623 [0,1,0,1,0,0|0,0,2]=4 4738 B10R1.10 C=CCN1CCOC(C1)O 269982a_100000688207_100000210623 [0,1,0,1,0,0|0,0,2]=4 4739 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,1,0,1,0,0|0,0,2]=4 4740 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,1,0,1,0,0|1,0,1]=4 4741 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,1,0,1,0,0|1,0,1]=4 4742 B10R1.10 N#CCN1CCOC(=O)C1 2230a_100000131268_100011215382 [0,1,0,1,0,0|1,0,1]=4 4743 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,1,0,1,0,0|1,0,1]=4 4744 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,1,0,1,0,0|1,0,1]=4 4745 B10R1.10 O=CCN1CCNC(=O)C1 2230a_100000184651_200015260668 [0,1,0,1,0,0|2,0,0]=4 4746 B10R1.10 O=CCN1CCOC(=O)C1 2230a_100000131268_200015260668 [0,1,0,1,0,0|1,0,0]=3 4747 B10R1.16 C=CCCN1CNC(=O)C1 2230a_200000708111_100000754431 [0,1,0,1,0,0|1,0,0]=3 4748 B10R1.16 C=CCCc1nc(no1)C 270196a_100000212224_100000749702 [0,1,0,1,0,0|1,0,1]=4 4749 B10R1.16 C=CCCc1noc(n1)C 270196a_100011215924_100000070787 [0,1,0,1,0,0|1,0,1]=4 4750 B10R1.16 C=CCNC1CNC(=O)C1 2230a_100000697751_100000210623 [0,1,0,1,0,0|1,0,0]=3 4751 B10R1.16 C=CCOC1CCC(=O)C1 34a_100012614533_100015514636 [0,1,0,1,0,0|1,0,0]=3 4752 B10R1.16 C=CCOC1CNC(=O)C1 34a_100000690082_100015514636 [0,1,0,1,0,0|1,0,0]=3 4753 B10R1.16 C=CCOC1COC(=O)O1 34a_200000210373_100000032252 [0,1,0,1,0,0|1,0,0]=3 4754 B10R1.16 C=CCSC1COC(=O)O1 62a_100000210623_100000032252 [0,1,0,1,0,0|1,0,0]=3 4755 B10R1.16 CC=CCN1CNC(=O)C1 2230a_200000708111_100000070051 [0,1,0,1,0,0|2,0,0]=4 4756 B10R1.16 O=CCNC1CNC(=O)C1 2230a_100000697751_200015260668 [0,1,0,1,0,0|2,0,0]=4 4757 B10R1.16 O=CCOC1CCC(=O)C1 34a_100012614533_200009817547 [0,1,0,1,0,0|2,0,0]=4 4758 B10R1.16 O=CCOC1CNC(=O)C1 34a_100000690082_200009817547 [0,1,0,1,0,0|2,0,0]=4 4759 B10R1.16 O=CCSC1COC(=O)O1 62a_200015260668_100000032252 [0,1,0,1,0,0|2,0,0]=4 4760 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,1,0,1,0,0|1,0,1]=4 4761 B10R1.18 CC(C)OC1C=CCCC1 34a_100011215024_100000210206 [0,1,0,1,0,0|1,0,1]=4 4762 B10R1.18 CC(C)OC1CC=CCC1 34a_100000073881_100000210206 [0,1,0,1,0,0|1,0,1]=4 4763 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,1,0,1,0,0|1,0,1]=4 4764 B10R1.24 C/C=C/CSC1CC(=O)C1 62a_100009894365_100102629194 [0,1,0,1,0,0|2,0,0]=4 4765 B10R1.24 C=CCCNC1CC(=C)C1 2230a_100132301982_100000754431 [0,1,0,1,0,0|2,0,0]=4 4766 B10R1.24 C=CCCSC1CC(=O)C1 62a_100009894365_100000754431 [0,1,0,1,0,0|1,0,0]=3 4767 B10R1.24 C=CCNCC1CC(=C)C1 2230a_100102567296_100000210623 [0,1,0,1,0,0|2,0,0]=4 4768 B10R1.24 C=CCNCC1CC(=C)C1 34a_100102567296_100015514636 [0,1,0,1,0,0|2,0,0]=4 4769 B10R1.24 C=CCNCC1CC(=O)C1 2230a_100020586998_100009874392 [0,1,0,1,0,0|1,0,0]=3 4770 B10R1.24 C=CCOCC1CC(=C)C1 34a_100011011225_100015514636 [0,1,0,1,0,0|2,0,0]=4 4771 B10R1.24 C=CCOCC1CC(=O)C1 34a_100000101936_100015514636 [0,1,0,1,0,0|1,0,0]=3 4772 B10R1.24 C=CCSCC1CC(=O)C1 62a_100000210623_100009874392 [0,1,0,1,0,0|1,0,0]=3 4773 B10R1.24 C=CCSCC1CC(=O)C1 62a_100009874392_100000210623 [0,1,0,1,0,0|1,0,0]=3 4774 B10R1.24 CC=CCSC1CC(=O)C1 62a_100009894365_100000070051 [0,1,0,1,0,0|2,0,0]=4 4775 B10R1.24 O=CCOCC1CC(=O)C1 34a_100000101936_200009817547 [0,1,0,1,0,0|2,0,0]=4 4776 B10R1.24 O=CCSCC1CC(=O)C1 62a_100009874392_200015260668 [0,1,0,1,0,0|2,0,0]=4 4777 B10R1.24 O=CCSCC1CC(=O)C1 62a_200015260668_100009874392 [0,1,0,1,0,0|2,0,0]=4 4778 B10R1.61 CC(=O)C1=C(OCCO1)C 1458a_100000068647_200000210301 [0,1,0,1,0,0|1,0,1]=4 4779 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,1,0,1,0,0|1,0,1]=4 4780 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,1,0,1,0,0|2,0,0]=4 4781 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,1,0,1,0,0|2,0,0]=4 4782 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,1,0,1,0,0|2,0,0]=4 4783 B10R1.61 CC1=C(OCCO1)C(=O)[13CH3] 1458a_100000068647_200025704644 [0,1,0,1,0,0|1,0,1]=4 4784 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,1,0,1,0,0|2,0,0]=4 4785 B10R1.64 CC(=O)CN1CCCC1=O 1458a_100000189602_200000210301 [0,1,0,1,0,0|2,0,0]=4 4786 B10R1.64 CC(=O)NC1CCNC1=O 11a_100016995588_100015343762 [0,1,0,1,0,0|2,0,0]=4 4787 B10R1.64 CC(=O)NC1CCNC1=O 1626a_100016995588_100015343762 [0,1,0,1,0,0|2,0,0]=4 4788 B10R1.64 CC(=O)NC1CCNC1=O 240690a_100016995588_100015343762 [0,1,0,1,0,0|2,0,0]=4 4789 B10R1.64 CC(=O)NC1CCNC1=O 527a_100016995588_100103153847 [0,1,0,1,0,0|2,0,0]=4 4790 B10R1.64 CC(=O)NC1CCSC1=O 11a_100000184058_100015343762 [0,1,0,1,0,0|2,0,0]=4 4791 B10R1.64 CC(=O)NC1CCSC1=O 1626a_100000184058_100015343762 [0,1,0,1,0,0|2,0,0]=4 4792 B10R1.64 CC(=O)NC1CCSC1=O 240690a_100000184058_100015343762 [0,1,0,1,0,0|2,0,0]=4 4793 B10R1.64 CC(=O)NC1CCSC1=O 527a_100000184058_100103153847 [0,1,0,1,0,0|2,0,0]=4 4794 B10R1.64 [13CH3]C(=O)CN1CCCC1=O 1458a_100000189602_200025704644 [0,1,0,1,0,0|2,0,0]=4 4795 B10R1.66 CC(=O)CCN1CC=CC1 269982a_100015195280_100000053229 [0,1,0,1,0,0|2,0,0]=4 4796 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [0,1,0,1,0,0|0,0,2]=4 4797 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [0,1,0,1,0,0|0,0,2]=4 4798 B10R1.66 CC(=O)COC1CCOC1 34a_100000211253_100000690089 [0,1,0,1,0,0|1,0,1]=4 4799 B10R1.66 CC(=O)NN=C1C=CCC1 4a_100000189765_100000239507 [0,1,0,1,0,0|1,0,1]=4 4800 B10R1.66 CC(=O)OCN1CC=CC1 269982a_100015195280_100000076356 [0,1,0,1,0,0|1,0,0]=3 4801 B10R1.66 CC(=O)OCN1CCCC1 269982a_100000188435_100000076356 [0,1,0,1,0,0|0,0,2]=4 4802 B10R1.66 CC(=O)OCN1CCSC1 269982a_100011215254_100000076356 [0,1,0,1,0,0|1,0,1]=4 4803 B10R1.66 CC(C)OCC1CC=CC1 34a_100000688395_100000210206 [0,1,0,1,0,0|1,0,1]=4 4804 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [0,1,0,1,0,0|0,0,2]=4 4805 B10R1.86 C=CCN1CCC1C(=O)O 269956a_100000021838_100000210623 [0,1,0,1,0,0|2,0,0]=4 4806 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,1,0,1,0,0|0,0,2]=4 4807 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [0,1,0,1,0,0|1,0,1]=4 4808 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [0,1,0,1,0,0|0,0,2]=4 4809 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [0,1,0,1,0,0|0,0,2]=4 4810 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [0,1,0,1,0,0|0,0,2]=4 4811 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [0,1,0,1,0,0|0,0,2]=4 4812 B10R1.126 CC(=O)OCOC[C@@H]1CO1 34a_100000757423_100009813279 [0,1,0,1,0,0|1,0,1]=4 4813 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [0,1,0,1,0,0|0,0,2]=4 4814 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [0,1,0,1,0,0|0,0,2]=4 4815 B10R1.126 CC(=O)OCSCC1CO1 62a_100000076356_102125554688 [0,1,0,1,0,0|1,0,1]=4 4816 B10R1.126 CC(=O)OCSCC1CO1 62a_102125554688_100000076356 [0,1,0,1,0,0|1,0,1]=4 4817 B10R1.126 CC(=O)OCSCC1CS1 62a_100000031435_100000076356 [0,1,0,1,0,0|1,0,1]=4 4818 B10R1.126 CC(=O)OCSCC1CS1 62a_100000076356_100000031435 [0,1,0,1,0,0|1,0,1]=4 4819 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000076356_100000745022 [0,1,0,1,0,0|1,0,1]=4 4820 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000076356 [0,1,0,1,0,0|1,0,1]=4 4821 B10R1.177 C=CCCCCOC1CC1 34a_100000766645_100000211595 [0,1,0,1,0,0|1,0,1]=4 4822 B10R1.177 C=CCCCOCC1CC1 34a_100000211283_100000757094 [0,1,0,1,0,0|1,0,1]=4 4823 B10R1.177 C=CCCCOCC1CC1 34a_100000758997_100000742324 [0,1,0,1,0,0|1,0,1]=4 4824 B10R1.177 C=CCCCOCC1CC1 7a_100000758997_100000742324 [0,1,0,1,0,0|1,0,1]=4 4825 B10R1.177 C=CCCCOCC1CO1 34a_100000758997_102125554688 [0,1,0,1,0,0|0,0,2]=4 4826 B10R1.177 C=CCCCOCC1CO1 7a_100000758997_102125554688 [0,1,0,1,0,0|0,0,2]=4 4827 B10R1.177 C=CCCCOCC1CS1 7a_100000758997_100000031435 [0,1,0,1,0,0|0,1,1]=4 4828 B10R1.177 C=CCCCOC[C@@H]1CO1 34a_100000757423_100000757094 [0,1,0,1,0,0|0,0,2]=4 4829 B10R1.177 C=CCCCOC[C@@H]1CO1 7a_100000758997_100000745022 [0,1,0,1,0,0|0,0,2]=4 4830 B10R1.177 C=CCOCCOC1CC1 34a_100000037705_100000211595 [0,1,0,1,0,0|1,0,1]=4 4831 B10R1.177 CC=CCCCOC1CC1 34a_100020645299_100000211595 [0,1,0,1,0,0|1,0,1]=4 4832 B10R1.375 C=CCOCC1OC1(C)C 34a_200010283642_100015514636 [0,1,0,1,0,0|1,0,1]=4 4833 B10R1.375 C=CCOCC1OC1(C)C 7a_200010283642_100015514636 [0,1,0,1,0,0|1,0,1]=4 4834 B10R1.180 C=CCCC(C)OC1CC1 34a_100000765329_100000211595 [0,1,0,1,0,0|1,0,1]=4 4835 B10R1.70 C=CCCCOC1(CC1)C 7a_100011725673_100000757094 [0,1,0,1,0,0|1,0,1]=4 4836 B10R1.15 C#CC(=O)C1C=CCCC1 1458a_100000211873_100000751183 [0,1,0,1,0,0|1,0,1]=4 4837 B10R1.15 C=CC(=O)C1C=CCCC1 1458a_100000185746_100000751183 [0,1,0,1,0,0|1,0,1]=4 4838 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,1,0,1,0,0|1,0,1]=4 4839 B10R1.15 CCC(=O)C1=COCCC1 1458a_100000749935_100000210202 [0,1,0,1,0,0|2,0,0]=4 4840 B10R1.15 CCC(=O)C1C=CCCC1 1458a_100000210414_100000751183 [0,1,0,1,0,0|1,0,0]=3 4841 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [0,1,0,1,0,0|1,0,1]=4 4842 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [0,1,0,1,0,0|1,0,1]=4 4843 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [0,1,0,1,0,0|1,0,1]=4 4844 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [0,1,0,1,0,0|1,0,1]=4 4845 B10R1.15 CNC(=O)C1=COCCC1 1626a_100102657272_100000749935 [0,1,0,1,0,0|2,0,0]=4 4846 B10R1.15 CNC(=O)C1=COCCC1 527a_100102657272_100000749935 [0,1,0,1,0,0|2,0,0]=4 4847 B10R1.15 O=C(CF)C1=CCCCC1 1458a_100000765259_100015361967 [0,1,0,1,0,0|1,0,1]=4 4848 B10R1.15 O=C(CF)C1=COCCC1 1458a_100000749935_100015361967 [0,1,0,1,0,0|2,0,0]=4 4849 B10R1.15 O=C(CO)C1C=CCCC1 1458a_100000210174_100000751183 [0,1,0,1,0,0|1,0,0]=3 4850 B10R1.27 CCC(=O)CC1C=CCC1 1458a_100000212241_100000210202 [0,1,0,1,0,0|1,0,0]=3 4851 B10R1.27 CNC(=O)CC1C=CCC1 11a_106832991635_100000212241 [0,1,0,1,0,0|1,0,0]=3 4852 B10R1.27 CNC(=O)CC1C=CCC1 1626a_100102657272_100000212241 [0,1,0,1,0,0|1,0,0]=3 4853 B10R1.27 CNC(=O)CC1C=CCC1 240690a_100102657272_100000212241 [0,1,0,1,0,0|1,0,0]=3 4854 B10R1.27 CNC(=O)CC1C=CCC1 527a_100102657272_100000212241 [0,1,0,1,0,0|1,0,0]=3 4855 B10R1.27 O=C(CF)CC1C=CCC1 1458a_100000212241_100015361967 [0,1,0,1,0,0|1,0,0]=3 4856 B10R1.37 C=CCCOC1CCC1=O 34a_100011205117_100009892977 [0,1,0,1,0,0|2,0,0]=4 4857 B10R1.37 C=CCCSC1CCC1=O 62a_100000754431_100009892977 [0,1,0,1,0,0|2,0,0]=4 4858 B10R1.37 C=CCCSC1CCC1=O 62a_100009892977_100000754431 [0,1,0,1,0,0|2,0,0]=4 4859 B10R1.57 C=CCCCOC1CCC1 34a_100000748187_100000757094 [0,1,0,1,0,0|1,0,1]=4 4860 B10R1.57 C=CCCCOC1CCC1 34a_100000758997_100000749161 [0,1,0,1,0,0|1,0,1]=4 4861 B10R1.57 C=CCCCOC1COC1 34a_100000758997_100009818527 [0,1,0,1,0,0|0,0,2]=4 4862 B10R1.57 C=CCCCOC1COC1 7a_100000758997_100009818527 [0,1,0,1,0,0|0,0,2]=4 4863 B10R1.57 C=CCCCOC1CSC1 7a_100000072292_100000757094 [0,1,0,1,0,0|0,1,1]=4 4864 B10R1.99 C=CCN1CC1C(=O)OC 2230a_200009830135_100000210623 [0,1,0,1,0,0|2,0,0]=4 4865 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [0,1,0,1,0,0|2,0,0]=4 4866 B10R1.149 O=C(CO)C1CCCC1=O 1458a_100000210174_100000211823 [0,1,0,1,0,0|2,0,0]=4 4867 B10R1.113 CC(=O)C1CCNC(=O)C1 1458a_100000132800_200000210301 [0,1,0,1,0,0|1,0,1]=4 4868 B10R1.113 CC(=O)N1CCOC(=O)C1 11a_100000131268_100015343762 [0,1,0,1,0,0|1,0,1]=4 4869 B10R1.113 CC(=O)N1CCOC(=O)C1 240690a_100000131268_100015343762 [0,1,0,1,0,0|1,0,1]=4 4870 B10R1.113 CC(=O)N1CCOC(=O)C1 527a_100000131268_100103153847 [0,1,0,1,0,0|1,0,1]=4 4871 B10R1.113 CC(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200000210301 [0,1,0,1,0,0|2,0,0]=4 4872 B10R1.113 [13CH3]C(=O)C1CCNC(=O)C1 1458a_100000132800_200025704644 [0,1,0,1,0,0|1,0,1]=4 4873 B10R1.113 [13CH3]C(=O)[C@H]1CCCC(=O)N1 1458a_100000705292_200025704644 [0,1,0,1,0,0|2,0,0]=4 4874 B10R1.82 C=C(C)CSC1CC(=O)C1 62a_100009894365_100000211660 [0,1,0,1,0,0|2,0,0]=4 4875 B10R1.82 C=C(F)CSC1CC(=O)C1 62a_100009894365_100000042424 [0,1,0,1,0,0|2,0,0]=4 4876 B10R1.82 C=C1CC(C1)CNC(=O)C 11a_100102567296_100015343762 [0,1,0,1,0,0|1,0,0]=3 4877 B10R1.82 C=C1CC(C1)CNC(=O)C 1626a_100102567296_100015343762 [0,1,0,1,0,0|1,0,0]=3 4878 B10R1.82 C=C1CC(C1)CNC(=O)C 240690a_100102567296_100015343762 [0,1,0,1,0,0|1,0,0]=3 4879 B10R1.82 C=C1CC(C1)CNC(=O)C 527a_100102567296_100103153847 [0,1,0,1,0,0|1,0,0]=3 4880 B10R1.82 C=C1CC(C1)COC(C)C 34a_100011011225_100000210206 [0,1,0,1,0,0|1,0,1]=4 4881 B10R1.138 C=CCC(C)COC1CC1 34a_100009832082_100000211595 [0,1,0,1,0,0|1,0,1]=4 4882 B10R1.138 C=CC[C@@H](N)COC1CC1 34a_100020615467_100000211595 [0,1,0,1,0,0|1,0,1]=4 4883 B10R1.140 C=CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210623 [0,1,0,1,0,0|1,0,1]=4 4884 B10R1.140 C=CCN(C)C1CC(=O)C1 269982a_100000225617_100009894365 [0,1,0,1,0,0|2,0,0]=4 4885 B10R1.361 CC(=O)N1CC[C@H]1C(=O)[13CH3] 1458a_200015362969_200025704644 [0,1,0,1,0,0|1,0,1]=4 4886 B10R1.361 CC(=O)[C@@H]1CCN1C(=O)C 1458a_200015362969_200000210301 [0,1,0,1,0,0|1,0,1]=4