0 B8R0.28 C=C(Br)CCOC(C)C 34a_100009813270_100000210206 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.28 C=C(C)C=NNC(C)C 4a_100000741168_100000210575 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [0,0,0,0,0,0|3,0,0]=3 8 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [0,0,0,0,0,0|3,0,0]=3 9 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [0,0,0,0,0,0|4,0,0]=4 12 B8R0.28 C=C(C)CNNC(=O)C 22a_100000729518_100000070787 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.28 C=C(C)COCC(C)Br 34a_100012180447_100000748629 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [0,0,0,0,0,0|3,0,0]=3 16 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.28 C=C(C)COCC(C)F 34a_100015925927_100000748629 [0,0,0,0,0,0|4,0,0]=4 18 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [0,0,0,0,0,0|4,0,0]=4 19 B8R0.28 C=C(C)COC[C@@H](C)Cl 34a_100016084084_100000748629 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [0,0,0,0,0,0|4,0,0]=4 21 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [0,0,0,0,0,0|4,0,0]=4 22 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [0,0,0,0,0,0|3,0,0]=3 23 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [0,0,0,0,0,0|3,0,0]=3 24 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [0,0,0,0,0,0|4,0,0]=4 25 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [0,0,0,0,0,0|4,0,0]=4 26 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [0,0,0,0,0,0|4,0,0]=4 27 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [0,0,0,0,0,0|4,0,0]=4 28 B8R0.28 C=C(F)CNCC(C)C 2230a_100000210953_100009893438 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.28 C=C(F)CNCC(C)C 34a_100000210953_100009893438 [0,0,0,0,0,0|3,0,1]=4 30 B8R0.28 C=C(F)COCC(C)C 34a_100000210257_100009893438 [0,0,0,0,0,0|3,0,1]=4 31 B8R0.28 C=C(F)COCC(C)C 34a_200010262243_100000210624 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.28 C=C(F)CSCC(C)C 62a_100000042424_100000210760 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.28 C=C(F)CSCC(C)C 62a_100000210624_100000042424 [0,0,0,0,0,0|3,0,1]=4 34 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,0,0,0,0,0|3,0,0]=3 37 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,0,0,0,0,0|3,0,0]=3 38 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,0,0,0,0,0|3,0,0]=3 39 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,0,0,0,0,0|3,0,0]=3 40 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,0,0,0,0,0|3,0,0]=3 41 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,0,0,0,0,0|3,0,0]=3 42 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,0,0,0,0,0|3,0,0]=3 43 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,0,0,0,0,0|1,0,2]=3 44 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,0,0,0,0,0|2,0,1]=3 45 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,0,0,0,0,0|1,0,2]=3 46 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,0,0|2,0,1]=3 47 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,0,0,0,0,0|3,0,1]=4 48 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,0,0,0,0,0|1,0,0]=1 49 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,0,0,0,0,0|1,0,0]=1 50 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,0,0,0,0,0|2,0,0]=2 51 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,0,0,0,0,0|2,0,0]=2 52 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,0,0,0,0,0|2,0,0]=2 53 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [0,0,0,0,0,0|4,0,0]=4 54 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,0,0,0,0|2,0,1]=3 55 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,0,0,0,0|2,0,1]=3 56 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,0,0,0,0,0|3,0,1]=4 57 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,0,0,0,0,0|3,0,1]=4 58 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,0,0,0,0,0|1,0,1]=2 59 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,0,0,0,0,0|2,0,1]=3 60 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,0,0,0,0,0|2,0,0]=2 61 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,0,0,0,0,0|2,0,0]=2 62 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,0,0,0,0,0|2,0,0]=2 63 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,0,0,0,0|1,1,1]=3 64 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,0,0,0,0,0|2,0,0]=2 65 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,0,0,0,0,0|2,0,0]=2 66 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,0,0,0,0,0|2,0,0]=2 67 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,0,0,0,0,0|2,0,0]=2 68 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,0,0,0,0,0|2,0,0]=2 69 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,0,0,0,0,0|3,0,0]=3 70 B8R0.28 CC(=O)COCC(F)F 34a_100000211253_100011934356 [0,0,0,0,0,0|4,0,0]=4 71 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,0,0,0,0,0|3,0,0]=3 72 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,0,0,0,0,0|1,0,2]=3 73 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,0,0,0,0,0|1,0,2]=3 74 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,0,0,0,0,0|1,0,2]=3 75 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,0,0,0,0|2,0,1]=3 79 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,0,0,0,0,0|1,0,0]=1 80 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,0,0,0,0,0|1,0,0]=1 81 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,0,0,0,0,0|1,0,0]=1 82 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,0,0,0,0,0|1,0,0]=1 83 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,0,0,0,0,0|2,0,0]=2 84 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,0,0,0,0,0|2,0,0]=2 85 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,0,0,0,0,0|2,0,0]=2 86 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,0,0,0,0,0|2,0,0]=2 87 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,0,0,0,0,0|2,0,0]=2 88 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,0,0,0,0,0|2,0,0]=2 89 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,0,0,0,0,0|2,0,1]=3 90 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,0,0,0,0,0|2,0,0]=2 91 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,0,0,0,0,0|3,0,0]=3 92 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,0,0,0,0,0|1,0,0]=1 93 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,0,0,0,0,0|1,0,0]=1 94 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,0,0,0,0,0|1,0,0]=1 95 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,0,0,0,0,0|1,0,0]=1 96 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,0,0,0,0,0|1,0,0]=1 97 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,0,0,0,0|1,1,1]=3 98 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [0,0,0,0,0,0|2,0,1]=3 99 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,0,0,0,0,0|4,0,0]=4 100 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,0,0,0,0,0|4,0,0]=4 101 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,0,0,0,0,0|1,0,2]=3 102 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,0,0,0,0,0|1,0,0]=1 103 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [0,0,0,0,0,0|3,0,0]=3 104 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [0,0,0,0,0,0|3,0,0]=3 105 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [0,0,0,0,0,0|2,0,1]=3 106 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [0,0,0,0,0,0|2,0,1]=3 107 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [0,0,0,0,0,0|1,0,1]=2 108 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [0,0,0,0,0,0|1,0,1]=2 109 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [0,0,0,0,0,0|1,0,1]=2 110 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [0,0,0,0,0,0|1,1,1]=3 111 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [0,0,0,0,0,0|1,1,1]=3 112 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,0,0,0,0,0|3,0,0]=3 113 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,0,0,0,0,0|3,0,0]=3 114 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,0,0,0,0,0|3,0,0]=3 115 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,0,0,0,0,0|3,0,0]=3 116 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,0,0,0,0,0|3,0,0]=3 117 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [0,0,0,0,0,0|3,0,1]=4 118 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [0,0,0,0,0,0|3,0,1]=4 119 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [0,0,0,0,0,0|3,0,1]=4 120 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [0,0,0,0,0,0|2,0,2]=4 121 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [0,0,0,0,0,0|2,0,2]=4 122 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [0,0,0,0,0,0|2,0,2]=4 123 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [0,0,0,0,0,0|2,0,2]=4 124 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [0,0,0,0,0,0|2,0,2]=4 125 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [0,0,0,0,0,0|2,0,2]=4 126 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [0,0,0,0,0,0|2,0,2]=4 127 B8R0.28 CC(C)CNC[N+](=O)[O-] 34a_100000210953_100000761209 [0,0,0,0,0,0|4,0,0]=4 128 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,0,0,0,0,0|3,0,0]=3 129 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,0,0,0,0,0|2,0,0]=2 130 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,0,0,0,0,0|3,0,0]=3 131 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [0,0,0,0,0,0|3,0,1]=4 132 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [0,0,0,0,0,0|3,0,1]=4 133 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [0,0,0,0,0,0|3,0,1]=4 134 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [0,0,0,0,0,0|2,0,2]=4 135 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [0,0,0,0,0,0|3,0,1]=4 136 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [0,0,0,0,0,0|3,0,1]=4 137 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [0,0,0,0,0,0|2,0,2]=4 138 B8R0.28 CC(C)COC[N+](=O)[O-] 34a_100000210257_100000761209 [0,0,0,0,0,0|4,0,0]=4 139 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,0,0,0,0,0|3,0,0]=3 140 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,0,0,0,0,0|3,0,0]=3 141 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,0,0,0,0,0|3,0,0]=3 142 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,0,0,0,0,0|3,0,0]=3 143 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [0,0,0,0,0,0|3,0,1]=4 144 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [0,0,0,0,0,0|2,0,2]=4 145 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [0,0,0,0,0,0|2,0,2]=4 146 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [0,0,0,0,0,0|2,0,2]=4 147 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [0,0,0,0,0,0|2,0,2]=4 148 B8R0.28 CC(C)CSC[N+](=O)[O-] 62a_100000210624_100000761209 [0,0,0,0,0,0|4,0,0]=4 149 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,0,0,0,0,0|3,0,0]=3 150 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,0,0,0,0,0|3,0,0]=3 151 B8R0.28 CC(C)NCOC(C)C 2230a_100138425928_100000709892 [0,0,0,0,0,0|2,0,1]=3 152 B8R0.28 CC(C)NCOC(C)C 34a_100138425928_100000709892 [0,0,0,0,0,0|2,0,1]=3 153 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,0,0,0,0,0|4,0,0]=4 154 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,0,0,0,0,0|3,0,0]=3 155 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,0,0,0,0,0|3,0,0]=3 156 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,0,0,0,0,0|3,0,0]=3 157 B8R0.28 CC(C)OCCC(F)F 34a_100103093639_100000210206 [0,0,0,0,0,0|3,0,1]=4 158 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [0,0,0,0,0,0|2,0,1]=3 159 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [0,0,0,0,0,0|2,0,1]=3 160 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [0,0,0,0,0,0|2,0,1]=3 161 B8R0.28 CC(C)OCOC(C)C 34a_100000212225_100000709892 [0,0,0,0,0,0|2,0,1]=3 162 B8R0.28 CC(C)OCSC(C)C 62a_100000210206_100000709892 [0,0,0,0,0,0|2,0,1]=3 163 B8R0.28 CC(C)OCSC(C)C 62a_100000709892_100000210206 [0,0,0,0,0,0|2,0,1]=3 164 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,0,0,0,0,0|3,0,0]=3 165 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,0,0,0,0,0|3,0,0]=3 166 B8R0.28 CC(C)SCCN(C)C 2230a_100102631434_100000730970 [0,0,0,0,0,0|2,1,1]=4 167 B8R0.28 CC(C)SCCN(C)C 269982a_100102631434_100000730970 [0,0,0,0,0,0|2,1,1]=4 168 B8R0.28 CC(C)SCCN(C)C 62a_100000210206_100000755713 [0,0,0,0,0,0|2,1,1]=4 169 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,0,0,0,0,0|4,0,0]=4 170 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,0,0,0,0,0|4,0,0]=4 171 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [0,0,0,0,0,0|2,0,2]=4 172 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [0,0,0,0,0,0|2,0,2]=4 173 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [0,0,0,0,0,0|2,0,2]=4 174 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [0,0,0,0,0,0|2,0,2]=4 175 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [0,0,0,0,0,0|2,0,2]=4 176 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [0,0,0,0,0,0|2,0,1]=3 177 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [0,0,0,0,0,0|2,0,2]=4 178 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [0,0,0,0,0,0|2,0,2]=4 179 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,0,0,0,0,0|4,0,0]=4 180 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,0,0,0,0,0|4,0,0]=4 181 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,0,0,0,0,0|4,0,0]=4 182 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,0,0,0,0,0|4,0,0]=4 183 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,0,0,0,0,0|4,0,0]=4 184 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,0,0,0,0,0|4,0,0]=4 185 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,0,0,0,0,0|4,0,0]=4 186 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,0,0,0,0,0|4,0,0]=4 187 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,0,0,0,0,0|4,0,0]=4 188 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,0,0,0,0,0|2,0,1]=3 189 B8R0.28 CN(C)CCC=C(F)F 2230a_100102631434_200009816681 [0,0,0,0,0,0|4,0,0]=4 190 B8R0.28 CN(C)CCC=C(F)F 269982a_100102631434_200009816681 [0,0,0,0,0,0|4,0,0]=4 191 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,0,0,0,0,0|3,0,0]=3 192 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,0,0,0,0,0|3,0,0]=3 193 B8R0.28 CN(C)CCCN(C)C 269982a_100000225831_200000210301 [0,0,0,0,0,0|4,0,0]=4 194 B8R0.28 CN(C)CCCN(C)C 269982a_100102631434_100000757444 [0,0,0,0,0,0|4,0,0]=4 195 B8R0.28 CN(C)CCCN(C)[13CH3] 269982a_100000225831_200025704644 [0,0,0,0,0,0|4,0,0]=4 196 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,0,0,0,0,0|3,0,0]=3 197 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,0,0,0,0,0|3,0,0]=3 198 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,0,0,0,0,0|2,0,0]=2 199 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,0,0,0,0,0|3,0,0]=3 200 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,0,0,0,0,0|4,0,0]=4 201 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,0,0,0,0,0|4,0,0]=4 202 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,0,0,0,0,0|4,0,0]=4 203 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,0,0,0,0,0|4,0,0]=4 204 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,0,0,0,0,0|4,0,0]=4 205 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,0,0,0,0,0|4,0,0]=4 206 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,0,0,0,0,0|4,0,0]=4 207 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,0,0,0,0,0|4,0,0]=4 208 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,0,0,0,0,0|4,0,0]=4 209 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,0,0,0,0,0|4,0,0]=4 210 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [0,0,0,0,0,0|4,0,0]=4 211 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,0,0,0,0,0|3,0,1]=4 212 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|1,0,2]=4 213 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|1,0,2]=4 214 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|1,0,2]=4 215 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 216 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 217 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 218 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [1,0,0,0,0,0|1,0,2]=4 219 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [1,0,0,0,0,0|2,0,0]=3 220 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [1,0,0,0,0,0|2,0,0]=3 221 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [1,0,0,0,0,0|2,0,0]=3 222 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [1,0,0,0,0,0|2,0,0]=3 223 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [1,0,0,0,0,0|2,0,0]=3 224 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|3,0,0]=4 225 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|0,0,3]=4 226 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|0,0,3]=4 227 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|3,0,0]=4 228 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|3,0,0]=4 229 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|3,0,0]=4 230 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|3,0,0]=4 231 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|3,0,0]=4 232 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|3,0,0]=4 233 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|1,0,2]=4 234 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|1,0,2]=4 235 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|1,0,2]=4 236 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [1,0,0,0,0,0|2,0,1]=4 237 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [1,0,0,0,0,0|2,0,1]=4 238 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 239 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 240 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 241 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,0,0,0,0,0|1,0,2]=4 242 B7R0.4 C=CCCNC(C)C 2230a_100015191253_100000210206 [1,0,0,0,0,0|2,0,1]=4 243 B7R0.4 C=CCCNC(C)C 2230a_100138425928_100000754431 [1,0,0,0,0,0|2,0,1]=4 244 B7R0.4 C=CCCNC(C)C 34a_100138425928_100000754431 [1,0,0,0,0,0|2,0,1]=4 245 B7R0.4 C=CCCOC(C)C 34a_100000212225_100000754431 [1,0,0,0,0,0|2,0,1]=4 246 B7R0.4 C=CCCOC(C)C 34a_100011205117_100000210206 [1,0,0,0,0,0|2,0,1]=4 247 B7R0.4 C=CCCSC(C)C 62a_100000210206_100000754431 [1,0,0,0,0,0|2,0,1]=4 248 B7R0.4 C=CCCSC(C)C 62a_100000754431_100000210206 [1,0,0,0,0,0|2,0,1]=4 249 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [1,0,0,0,0,0|2,0,1]=4 250 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [1,0,0,0,0,0|2,0,1]=4 251 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [1,0,0,0,0,0|2,0,1]=4 252 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [1,0,0,0,0,0|2,0,1]=4 253 B7R0.4 C=CCOCC(C)C 34a_100000210257_100015514636 [1,0,0,0,0,0|2,0,1]=4 254 B7R0.4 C=CCOCC(C)C 34a_200000210373_100000210624 [1,0,0,0,0,0|2,0,1]=4 255 B7R0.4 C=CCSCC(C)C 62a_100000210623_100000210760 [1,0,0,0,0,0|2,0,1]=4 256 B7R0.4 C=CCSCC(C)C 62a_100000210624_100000210623 [1,0,0,0,0,0|2,0,1]=4 257 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,0,0,0,0,0|1,0,2]=4 258 B7R0.4 C=COCCN(C)C 2230a_100102631434_100000039644 [1,0,0,0,0,0|1,0,1]=3 259 B7R0.4 C=COCCN(C)C 269982a_100102631434_100000039644 [1,0,0,0,0,0|1,0,1]=3 260 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [1,0,0,0,0,0|1,0,2]=4 261 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [1,0,0,0,0,0|1,0,2]=4 262 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [1,0,0,0,0,0|1,0,2]=4 263 B7R0.4 CC#CCNC(C)C 2230a_100000685387_100000210206 [1,0,0,0,0,0|2,0,1]=4 264 B7R0.4 CC#CCNC(C)C 2230a_100138425928_100000748600 [1,0,0,0,0,0|2,0,1]=4 265 B7R0.4 CC#CCNC(C)C 34a_100000685387_100000210206 [1,0,0,0,0,0|2,0,1]=4 266 B7R0.4 CC#CCNC(C)C 34a_100138425928_100000748600 [1,0,0,0,0,0|2,0,1]=4 267 B7R0.4 CC#CCOC(C)C 34a_100000212225_100000748600 [1,0,0,0,0,0|2,0,1]=4 268 B7R0.4 CC#CCOC(C)C 34a_100000761923_100000210206 [1,0,0,0,0,0|2,0,1]=4 269 B7R0.4 CC#CCSC(C)C 62a_100000210206_100000748600 [1,0,0,0,0,0|2,0,1]=4 270 B7R0.4 CC#CCSC(C)C 62a_100000748600_100000210206 [1,0,0,0,0,0|2,0,1]=4 271 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,0,0,0,0,0|3,0,0]=4 272 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,0,0,0,0,0|3,0,0]=4 273 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|2,0,1]=4 274 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|2,0,1]=4 275 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|2,0,0]=3 276 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|2,0,0]=3 277 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|2,0,0]=3 278 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|2,0,0]=3 279 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|2,0,0]=3 280 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|2,0,0]=3 281 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|2,0,0]=3 282 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 283 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|3,0,0]=4 284 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|3,0,0]=4 285 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|3,0,0]=4 286 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|3,0,0]=4 287 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|3,0,0]=4 288 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|3,0,0]=4 289 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 290 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 291 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 292 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [1,0,0,0,0,0|2,0,1]=4 293 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 294 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 295 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 296 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|2,0,0]=3 297 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|2,0,0]=3 298 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|2,0,0]=3 299 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|2,0,0]=3 300 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|2,0,0]=3 301 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|2,0,0]=3 302 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|2,0,0]=3 303 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,0,0,0,0,0|3,0,0]=4 304 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|1,0,0]=2 305 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|1,0,0]=2 306 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [1,0,0,0,0,0|2,0,0]=3 307 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [1,0,0,0,0,0|2,0,0]=3 308 B7R0.4 CC(Br)CCOCF 34a_100009893172_100015361967 [1,0,0,0,0,0|2,0,1]=4 309 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [1,0,0,0,0,0|3,0,0]=4 310 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,0,0,0,0,0|2,0,0]=3 311 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,0,0,0,0,0|2,0,0]=3 312 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,0,0,0,0,0|2,0,0]=3 313 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,0,0,0,0,0|2,0,0]=3 314 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,0,0,0,0,0|2,0,0]=3 315 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,0,0,0,0,0|2,0,0]=3 316 B7R0.4 CC(C)CCOCF 34a_100000210254_100015361967 [1,0,0,0,0,0|1,0,1]=3 317 B7R0.4 CC(C)CCOCF 7a_100000210254_100015361967 [1,0,0,0,0,0|1,0,1]=3 318 B7R0.4 CC(C)CCSCF 62a_100000210312_100015361967 [1,0,0,0,0,0|1,1,1]=4 319 B7R0.4 CC(C)CCSCF 62a_100015361967_100000210312 [1,0,0,0,0,0|1,1,1]=4 320 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [1,0,0,0,0,0|2,0,0]=3 321 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [1,0,0,0,0,0|2,0,0]=3 322 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [1,0,0,0,0,0|2,0,0]=3 323 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [1,0,0,0,0,0|2,0,0]=3 324 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [1,0,0,0,0,0|2,0,0]=3 325 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [1,0,0,0,0,0|3,0,0]=4 326 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,0,0,0,0,0|2,0,1]=4 327 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,0,0,0,0,0|2,0,1]=4 328 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,0,0,0,0,0|2,0,1]=4 329 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,0,0,0,0,0|2,0,1]=4 330 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,0,0,0,0,0|2,0,1]=4 331 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,0,0,0,0,0|2,0,1]=4 332 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [1,0,0,0,0,0|2,0,1]=4 333 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [1,0,0,0,0,0|2,0,1]=4 334 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [1,0,0,0,0,0|2,0,1]=4 335 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [1,0,0,0,0,0|2,0,1]=4 336 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [1,0,0,0,0,0|2,0,1]=4 337 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [1,0,0,0,0,0|2,0,1]=4 338 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [1,0,0,0,0,0|3,0,0]=4 339 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [1,0,0,0,0,0|3,0,0]=4 340 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [1,0,0,0,0,0|3,0,0]=4 341 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [1,0,0,0,0,0|3,0,0]=4 342 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [1,0,0,0,0,0|3,0,0]=4 343 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [1,0,0,0,0,0|3,0,0]=4 344 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [1,0,0,0,0,0|3,0,0]=4 345 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|3,0,0]=4 346 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|3,0,0]=4 347 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [1,0,0,0,0,0|3,0,0]=4 348 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [1,0,0,0,0,0|3,0,0]=4 349 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [1,0,0,0,0,0|3,0,0]=4 350 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [1,0,0,0,0,0|3,0,0]=4 351 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|1,0,2]=4 352 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|1,0,2]=4 353 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|1,0,2]=4 354 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [1,0,0,0,0,0|2,0,0]=3 355 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [1,0,0,0,0,0|2,0,0]=3 356 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [1,0,0,0,0,0|2,0,0]=3 357 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [1,0,0,0,0,0|2,0,0]=3 358 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [1,0,0,0,0,0|2,0,0]=3 359 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [1,0,0,0,0,0|3,0,0]=4 360 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|1,0,2]=4 361 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,0,0,0,0,0|2,0,1]=4 362 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|1,0,1]=3 363 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|1,0,1]=3 364 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|1,0,1]=3 365 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|1,0,1]=3 366 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|1,0,0]=2 367 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|1,0,0]=2 368 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|1,0,0]=2 369 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|2,0,1]=4 370 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|2,0,1]=4 371 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|2,0,1]=4 372 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|2,0,1]=4 373 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|2,0,1]=4 374 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|2,0,1]=4 375 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 376 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 377 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 378 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|1,0,0]=2 379 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,0,0,0,0,0|2,0,1]=4 380 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,0,0,0,0,0|2,0,1]=4 381 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,0,0,0,0,0|2,0,1]=4 382 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,0,0,0,0,0|2,0,1]=4 383 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,0,0,0,0|1,0,1]=3 384 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,0,0,0,0|1,0,1]=3 385 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,0,0,0,0|1,0,1]=3 386 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,0,0,0,0,0|1,1,1]=4 387 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,0,0,0,0,0|1,1,1]=4 388 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|3,0,0]=4 389 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|3,0,0]=4 390 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,0,0,0,0,0|2,0,1]=4 391 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,0,0,0,0,0|2,0,1]=4 392 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,0,0,0,0,0|2,0,1]=4 393 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|2,0,0]=3 394 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|2,0,0]=3 395 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|2,0,0]=3 396 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|3,0,0]=4 397 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|2,0,0]=3 398 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|3,0,0]=4 399 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,0,0,0,0,0|2,0,1]=4 400 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,0,0,0,0,0|2,0,1]=4 401 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|2,0,0]=3 402 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|3,0,0]=4 403 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|3,0,0]=4 404 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|2,0,0]=3 405 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|3,0,0]=4 406 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|3,0,0]=4 407 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,0,0,0,0,0|2,0,1]=4 408 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,0,0,0,0,0|2,0,1]=4 409 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,0,0,0,0,0|3,0,0]=4 410 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,0,0,0,0,0|3,0,0]=4 411 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|3,0,0]=4 412 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,0,0,0,0,0|1,0,1]=3 413 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,0,0,0,0,0|1,0,1]=3 414 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|2,0,1]=4 415 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|2,0,1]=4 416 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [1,0,0,0,0,0|2,0,1]=4 417 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,0,0,0,0|2,0,1]=4 418 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,0,0,0,0|2,0,1]=4 419 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,0,0,0,0,0|0,0,3]=4 420 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,0,0,0,0,0|0,0,3]=4 421 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|2,0,0]=3 422 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|2,0,0]=3 423 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 424 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|2,0,0]=3 425 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|3,0,0]=4 426 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|3,0,0]=4 427 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|3,0,0]=4 428 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|2,0,0]=3 429 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,0,0,0,0,0|1,0,1]=3 430 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,0,0,0,0,0|0,0,1]=2 431 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,0,0,0,0,0|0,0,1]=2 432 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,0,0,0,0,0|0,0,1]=2 433 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|1,0,1]=3 434 B7R0.4 CCOCCC(F)F 34a_100103093639_100000210202 [1,0,0,0,0,0|2,0,1]=4 435 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,0,0,0,0,0|1,0,1]=3 436 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,0,0,0,0,0|1,0,1]=3 437 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,0,0,0,0,0|1,0,1]=3 438 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|1,0,0]=2 439 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [1,0,0,0,0,0|1,0,1]=3 440 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [1,0,0,0,0,0|1,0,1]=3 441 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [1,0,0,0,0,0|1,0,1]=3 442 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,0,0,0,0,0|3,0,0]=4 443 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,0,0,0,0,0|3,0,0]=4 444 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|2,0,0]=3 445 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|2,0,0]=3 446 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|2,0,0]=3 447 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|2,0,0]=3 448 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|3,0,0]=4 449 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|3,0,0]=4 450 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|2,0,0]=3 451 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,0,0,0,0,0|0,1,1]=3 452 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,0,0,0,0,0|0,1,1]=3 453 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|1,1,1]=4 454 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|1,1,1]=4 455 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [1,0,0,0,0,0|1,1,1]=4 456 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [1,0,0,0,0,0|1,1,1]=4 457 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [1,0,0,0,0,0|1,1,1]=4 458 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|1,0,0]=2 459 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|1,0,0]=2 460 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [1,0,0,0,0,0|1,1,1]=4 461 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [1,0,0,0,0,0|1,1,1]=4 462 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [1,0,0,0,0,0|2,0,0]=3 463 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [1,0,0,0,0,0|2,0,0]=3 464 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [1,0,0,0,0,0|3,0,0]=4 465 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,0,0,0,0,0|3,0,0]=4 466 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,0,0,0,0,0|3,0,0]=4 467 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,0,0,0,0,0|3,0,0]=4 468 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|2,0,0]=3 469 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|2,0,0]=3 470 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|3,0,0]=4 471 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|3,0,0]=4 472 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|3,0,0]=4 473 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,0,0,0,0,0|2,0,0]=3 474 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,0,0,0,0,0|2,0,0]=3 475 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,0,0,0,0,0|2,0,0]=3 476 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,0,0,0,0,0|2,0,0]=3 477 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,0,0,0,0,0|2,0,0]=3 478 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|3,0,0]=4 479 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|3,0,0]=4 480 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|3,0,0]=4 481 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [1,0,0,0,0,0|3,0,0]=4 482 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|3,0,0]=4 483 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|2,0,0]=3 484 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|2,0,0]=3 485 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|2,0,0]=3 486 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 487 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,0,0,0,0|3,0,0]=4 488 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 489 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|1,0,0]=2 490 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|1,0,0]=2 491 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|2,0,0]=3 492 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|2,0,0]=3 493 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [1,0,0,0,0,0|2,0,1]=4 494 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [1,0,0,0,0,0|2,0,1]=4 495 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [1,0,0,0,0,0|2,0,1]=4 496 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [1,0,0,0,0,0|2,0,1]=4 497 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [1,0,0,0,0,0|2,0,1]=4 498 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [1,0,0,0,0,0|3,0,0]=4 499 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [1,0,0,0,0,0|3,0,0]=4 500 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [1,0,0,0,0,0|3,0,0]=4 501 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [1,0,0,0,0,0|3,0,0]=4 502 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [1,0,0,0,0,0|3,0,0]=4 503 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,0,0,0,0|2,0,1]=4 504 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,0,0,0,0|2,0,1]=4 505 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,0,0,0,0,0|3,0,0]=4 506 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|2,0,0]=3 507 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|2,0,0]=3 508 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|2,0,0]=3 509 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|2,0,0]=3 510 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|2,0,0]=3 511 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|3,0,0]=4 512 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|2,0,0]=3 513 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,0,0,0,0,0|2,0,0]=3 514 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,0,0,0,0,0|2,0,0]=3 515 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,0,0,0,0,0|2,0,0]=3 516 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|3,0,0]=4 517 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [1,0,0,0,0,0|3,0,0]=4 518 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [1,0,0,0,0,0|3,0,0]=4 519 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [1,0,0,0,0,0|3,0,0]=4 520 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [1,0,0,0,0,0|3,0,0]=4 521 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [1,0,0,0,0,0|3,0,0]=4 522 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [1,0,0,0,0,0|3,0,0]=4 523 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|2,0,0]=3 524 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|2,0,0]=3 525 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|2,0,0]=3 526 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|2,0,0]=3 527 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|3,0,0]=4 528 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [1,0,0,0,0,0|3,0,0]=4 529 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [1,0,0,0,0,0|3,0,0]=4 530 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [1,0,0,0,0,0|3,0,0]=4 531 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [1,0,0,0,0,0|3,0,0]=4 532 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|1,0,0]=2 533 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|2,0,0]=3 534 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|2,0,0]=3 535 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [1,0,0,0,0,0|2,0,1]=4 536 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [1,0,0,0,0,0|2,0,1]=4 537 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [1,0,0,0,0,0|2,0,1]=4 538 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [1,0,0,0,0,0|2,0,1]=4 539 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [1,0,0,0,0,0|2,0,1]=4 540 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [1,0,0,0,0,0|3,0,0]=4 541 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [1,0,0,0,0,0|3,0,0]=4 542 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [1,0,0,0,0,0|3,0,0]=4 543 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [1,0,0,0,0,0|3,0,0]=4 544 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [1,0,0,0,0,0|3,0,0]=4 545 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [1,0,0,0,0,0|3,0,0]=4 546 B7R0.4 COCSCC(C)C 62a_100000210624_100000766300 [1,0,0,0,0,0|3,0,0]=4 547 B7R0.4 COCSCC(C)C 62a_100000766300_100000210760 [1,0,0,0,0,0|3,0,0]=4 548 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|3,0,0]=4 549 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,0,0,0,0,0|3,0,0]=4 550 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,0,0,0,0,0|3,0,0]=4 551 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|2,0,0]=3 552 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|2,0,0]=3 553 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|2,0,0]=3 554 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|3,0,0]=4 555 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|3,0,0]=4 556 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|2,0,0]=3 557 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,0,0,0,0,0|2,0,0]=3 558 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,0,0,0,0,0|2,0,0]=3 559 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|3,0,0]=4 560 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|3,0,0]=4 561 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [1,0,0,0,0,0|3,0,0]=4 562 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 563 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 564 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 565 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|2,0,0]=3 566 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|2,0,0]=3 567 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|2,0,0]=3 568 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,0,0,0,0,0|3,0,0]=4 569 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,0,0,0,0,0|3,0,0]=4 570 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [1,0,0,0,0,0|3,0,0]=4 571 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [1,0,0,0,0,0|3,0,0]=4 572 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [1,0,0,0,0,0|3,0,0]=4 573 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|1,0,0]=2 574 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|1,0,0]=2 575 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|2,0,0]=3 576 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|2,0,0]=3 577 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [1,0,0,0,0,0|2,0,1]=4 578 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [1,0,0,0,0,0|2,0,1]=4 579 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [1,0,0,0,0,0|2,0,1]=4 580 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [1,0,0,0,0,0|2,0,1]=4 581 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [1,0,0,0,0,0|2,0,1]=4 582 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [1,0,0,0,0,0|3,0,0]=4 583 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [1,0,0,0,0,0|3,0,0]=4 584 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [1,0,0,0,0,0|3,0,0]=4 585 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [1,0,0,0,0,0|3,0,0]=4 586 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [1,0,0,0,0,0|3,0,0]=4 587 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [1,0,0,0,0,0|3,0,0]=4 588 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|3,0,0]=4 589 B7R0.4 CSCOCC(C)C 34a_100000210257_100011218213 [1,0,0,0,0,0|3,0,0]=4 590 B7R0.4 CSCSCC(C)C 62a_100000210624_100011218213 [1,0,0,0,0,0|3,0,0]=4 591 B7R0.4 CSCSCC(C)C 62a_100011218213_100000210760 [1,0,0,0,0,0|3,0,0]=4 592 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [1,0,0,0,0,0|3,0,0]=4 593 B7R0.4 C[C@@H](N)CCOCF 34a_100000706166_100015361967 [1,0,0,0,0,0|2,0,1]=4 594 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [1,0,0,0,0,0|3,0,0]=4 595 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [1,0,0,0,0,0|3,0,0]=4 596 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [1,0,0,0,0,0|3,0,0]=4 597 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|2,0,1]=4 598 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|2,0,0]=3 599 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|3,0,0]=4 600 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|3,0,0]=4 601 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,0,0,0,0|3,0,0]=4 602 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|3,0,0]=4 603 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|2,0,0]=3 604 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|3,0,0]=4 605 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|3,0,0]=4 606 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,0,0,0,0,0|3,0,0]=4 607 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,0,0,0,0,0|3,0,0]=4 608 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|2,0,0]=3 609 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|2,0,0]=3 610 B9R0.1 C#C/C(=C\COC(C)C)/C 34a_100016990848_100000210206 [0,1,0,0,0,0|3,0,0]=4 611 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [0,1,0,0,0,0|1,0,1]=3 612 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [0,1,0,0,0,0|2,0,1]=4 613 B9R0.1 C#CC(=O)CCCN(C)C 1458a_100000211873_100000695564 [0,1,0,0,0,0|2,0,1]=4 614 B9R0.1 C#CC(=O)CCOC(=O)C 1458a_100000211873_100009814007 [0,1,0,0,0,0|1,0,2]=4 615 B9R0.1 C#CC(=O)CCOC(C)C 1458a_100000211873_100000211751 [0,1,0,0,0,0|2,0,1]=4 616 B9R0.1 C#CC(=O)CCSC(C)C 1458a_100000211873_100000730970 [0,1,0,0,0,0|2,0,1]=4 617 B9R0.1 C#CC(C)NCCC(C)C 2230a_100000707721_100000210312 [0,1,0,0,0,0|2,0,1]=4 618 B9R0.1 C#CC(C)NCCC(C)C 34a_100000707721_100000210312 [0,1,0,0,0,0|2,0,1]=4 619 B9R0.1 C#CC(C)NCOC(=O)C 34a_100000707721_100009813279 [0,1,0,0,0,0|1,0,1]=3 620 B9R0.1 C#CC(C)OCCC(=O)C 34a_100000759926_200000035995 [0,1,0,0,0,0|2,0,1]=4 621 B9R0.1 C#CC(C)OCCC(C)Br 34a_100009893172_200000035995 [0,1,0,0,0,0|2,0,1]=4 622 B9R0.1 C#CC(C)OCCC(C)C 34a_100000210254_200000035995 [0,1,0,0,0,0|1,0,1]=3 623 B9R0.1 C#CC(C)OCC[C@@H](C)N 34a_100000706166_200000035995 [0,1,0,0,0,0|2,0,1]=4 624 B9R0.1 C#CC(C)SCCC(=O)C 62a_200000035995_100000053229 [0,1,0,0,0,0|2,0,1]=4 625 B9R0.1 C#CC(C)SCCC(C)C 62a_200000035995_100000210312 [0,1,0,0,0,0|1,1,1]=4 626 B9R0.1 C#CC(C)SCOC(=O)C 62a_200000035995_100000076356 [0,1,0,0,0,0|1,0,1]=3 627 B9R0.1 C#C[C@@H](C)OCCC(=O)C 7a_100009815206_100000053229 [0,1,0,0,0,0|2,0,1]=4 628 B9R0.1 C#C[C@@H](C)OCCC(C)C 34a_100009815206_100000210312 [0,1,0,0,0,0|1,0,1]=3 629 B9R0.1 C#C[C@@H](C)OCCC(C)C 7a_100009815206_100000210626 [0,1,0,0,0,0|1,0,1]=3 630 B9R0.1 C#C[C@@H](C)OCCC(C)O 34a_100009815206_100012276601 [0,1,0,0,0,0|2,0,1]=4 631 B9R0.1 C#C[C@@H](C)OCCC(C)O 7a_100009815206_100012276601 [0,1,0,0,0,0|2,0,1]=4 632 B9R0.1 C#C[C@@H](C)OCCN(C)C 7a_100009815206_100000755713 [0,1,0,0,0,0|2,0,1]=4 633 B9R0.1 C#C[C@@H](C)OCOC(=O)C 34a_100009815206_100009813279 [0,1,0,0,0,0|1,0,1]=3 634 B9R0.1 C#C[C@@H](C)OCOC(C)C 34a_100009815206_100000709892 [0,1,0,0,0,0|2,0,1]=4 635 B9R0.1 C=C(C)CCNC(C)CC 2230a_100000209981_100000730704 [0,1,0,0,0,0|3,0,0]=4 636 B9R0.1 C=C(C)CCN[C@H](C)CO 2230a_100000737577_100000730704 [0,1,0,0,0,0|3,0,0]=4 637 B9R0.1 C=C(C)CCOC(C)CC 34a_100000764851_100011215416 [0,1,0,0,0,0|3,0,0]=4 638 B9R0.1 C=C(C)CCOC(C)CC 7a_100000210228_100000730704 [0,1,0,0,0,0|3,0,0]=4 639 B9R0.1 C=C(C)CCOC(C)CF 34a_100016041109_100000730704 [0,1,0,0,0,0|3,0,0]=4 640 B9R0.1 C=C(C)CCOC(C)CF 7a_100016041109_100000730704 [0,1,0,0,0,0|3,0,0]=4 641 B9R0.1 C=C(C)CCOC(C)CN 34a_100000210904_100000730704 [0,1,0,0,0,0|3,0,0]=4 642 B9R0.1 C=C(C)CCOC(C)CO 34a_100000764851_100012180447 [0,1,0,0,0,0|3,0,0]=4 643 B9R0.1 C=C(C)CCSC(C)CC 62a_100000730704_100000758301 [0,1,0,0,0,0|3,0,0]=4 644 B9R0.1 C=C(C)CCSC(C)CC 62a_100000758301_100000730704 [0,1,0,0,0,0|3,0,0]=4 645 B9R0.1 C=C(C)CCSC(C)CO 62a_100012180447_100000730704 [0,1,0,0,0,0|3,0,0]=4 646 B9R0.1 C=C(C)CCSC(C)OC 62a_100000730704_100009879195 [0,1,0,0,0,0|3,0,0]=4 647 B9R0.1 C=C(C)CCSC(C)OC 62a_100009879195_100000730704 [0,1,0,0,0,0|3,0,0]=4 648 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100000730704_100016084084 [0,1,0,0,0,0|3,0,0]=4 649 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100016084084_100000730704 [0,1,0,0,0,0|3,0,0]=4 650 B9R0.1 C=C(C)CNCC(C)CC 2230a_100020588543_100000748629 [0,1,0,0,0,0|3,0,0]=4 651 B9R0.1 C=C(C)CNCC(C)CO 34a_100000744482_100000748629 [0,1,0,0,0,0|3,0,0]=4 652 B9R0.1 C=C(C)CNC[C@@H](C)OC 2230a_100020591295_100000748629 [0,1,0,0,0,0|3,0,0]=4 653 B9R0.1 C=C(C)COCC(C)CC 34a_100000210245_100000748023 [0,1,0,0,0,0|3,0,0]=4 654 B9R0.1 C=C(C)COCC(C)CN 34a_100000744482_100000748629 [0,1,0,0,0,0|3,0,0]=4 655 B9R0.1 C=C(C)COCC(C)OC 34a_100000690652_100000748629 [0,1,0,0,0,0|3,0,0]=4 656 B9R0.1 C=C(C)COC[C@@H](C)CC 34a_100000210245_100009816398 [0,1,0,0,0,0|3,0,0]=4 657 B9R0.1 C=C(C)COC[C@@H](C)CC 7a_100009816381_100000748629 [0,1,0,0,0,0|3,0,0]=4 658 B9R0.1 C=C(C)COC[C@@H](C)CO 34a_100000210245_100000059175 [0,1,0,0,0,0|3,0,0]=4 659 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748023_100000211660 [0,1,0,0,0,0|3,0,0]=4 660 B9R0.1 C=C(C)CSCC(C)CC 62a_100000748629_100000748023 [0,1,0,0,0,0|3,0,0]=4 661 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100000748629_100009816398 [0,1,0,0,0,0|3,0,0]=4 662 B9R0.1 C=C(C)CSC[C@@H](C)CC 62a_100009816398_100000211660 [0,1,0,0,0,0|3,0,0]=4 663 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000059175_100000211660 [0,1,0,0,0,0|3,0,0]=4 664 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000748629_100000059175 [0,1,0,0,0,0|3,0,0]=4 665 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [0,1,0,0,0,0|1,0,1]=3 666 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,1,0,0,0,0|2,0,1]=4 667 B9R0.1 C=CC(=O)CCCN(C)C 1458a_100000185746_100000695564 [0,1,0,0,0,0|2,0,1]=4 668 B9R0.1 C=CC(=O)CCOC(=O)C 1458a_100000185746_100009814007 [0,1,0,0,0,0|1,0,2]=4 669 B9R0.1 C=CC(=O)CCOC(C)C 1458a_100000185746_100000211751 [0,1,0,0,0,0|2,0,1]=4 670 B9R0.1 C=CC(=O)CCSC(C)C 1458a_100000185746_100000730970 [0,1,0,0,0,0|2,0,1]=4 671 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [0,1,0,0,0,0|1,0,1]=3 672 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [0,1,0,0,0,0|1,0,1]=3 673 B9R0.1 C=CC(=O)NCCC(C)O 240690a_200000755665_200121576911 [0,1,0,0,0,0|2,0,1]=4 674 B9R0.1 C=CC(=O)NCCN(C)C 240690a_100000210585_200121576911 [0,1,0,0,0,0|2,0,1]=4 675 B9R0.1 C=CC(=O)NNCC(C)C 22a_100000696102_100000185746 [0,1,0,0,0,0|2,0,1]=4 676 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000065099_200000210301 [0,1,0,0,0,0|1,0,2]=4 677 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000070787_100009813456 [0,1,0,0,0,0|1,0,2]=4 678 B9R0.1 C=CC(=O)OCCC(=O)[13CH3] 1458a_100000065099_200025704644 [0,1,0,0,0,0|1,0,2]=4 679 B9R0.1 C=CC(=O)OCCN(C)C 2230a_100102631434_100009813456 [0,1,0,0,0,0|1,0,1]=3 680 B9R0.1 C=CC(=O)OCCN(C)C 269982a_100102631434_100009813456 [0,1,0,0,0,0|1,0,1]=3 681 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [0,1,0,0,0,0|1,0,1]=3 682 B9R0.1 C=CC(C)OCCC(C)O 34a_100000695699_100012276601 [0,1,0,0,0,0|2,0,1]=4 683 B9R0.1 C=CC(C)OCOC(=O)C 34a_100000695699_100009813279 [0,1,0,0,0,0|1,0,1]=3 684 B9R0.1 C=CC(C)OCOC(C)C 34a_100000695699_100000709892 [0,1,0,0,0,0|2,0,1]=4 685 B9R0.1 C=CC(C)SCCC(=O)C 62a_100011215867_100000053229 [0,1,0,0,0,0|2,0,1]=4 686 B9R0.1 C=CC(C)SCCC(C)C 62a_100011215867_100000210312 [0,1,0,0,0,0|1,1,1]=4 687 B9R0.1 C=CC(C)SCOC(=O)C 62a_100011215867_100000076356 [0,1,0,0,0,0|1,0,1]=3 688 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,1,0,0,0,0|1,0,2]=4 689 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [0,1,0,0,0,0|2,0,0]=3 690 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [0,1,0,0,0,0|2,0,0]=3 691 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [0,1,0,0,0,0|1,0,2]=4 692 B9R0.1 CC(=CCNC(C)CO)C 34a_100000718196_100012180447 [0,1,0,0,0,0|3,0,0]=4 693 B9R0.1 CC(=CCN[C@H](C)CO)C 2230a_100000737577_100000761012 [0,1,0,0,0,0|3,0,0]=4 694 B9R0.1 CC(=CCOC(C)CF)C 34a_100016041109_100000761012 [0,1,0,0,0,0|3,0,0]=4 695 B9R0.1 CC(=CCOC(C)CF)C 7a_100016041109_100000761012 [0,1,0,0,0,0|3,0,0]=4 696 B9R0.1 CC(=CCOC(C)CN)C 34a_100000210904_100000761012 [0,1,0,0,0,0|3,0,0]=4 697 B9R0.1 CC(=CCOC(C)CO)C 34a_100000753907_100012180447 [0,1,0,0,0,0|3,0,0]=4 698 B9R0.1 CC(=CCSC(C)CO)C 62a_100012180447_100000761012 [0,1,0,0,0,0|3,0,0]=4 699 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100000761012_100016084084 [0,1,0,0,0,0|3,0,0]=4 700 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100016084084_100000761012 [0,1,0,0,0,0|3,0,0]=4 701 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,1,0,0,0,0|2,0,1]=4 702 B9R0.1 CC(=O)CCCN(C)N=O 1458a_200000076914_200000210301 [0,1,0,0,0,0|3,0,0]=4 703 B9R0.1 CC(=O)CCOC(C)C#N 7a_100000759926_100000703298 [0,1,0,0,0,0|2,0,1]=4 704 B9R0.1 CC(=O)CCOC(C)CF 7a_100016041109_100000053229 [0,1,0,0,0,0|2,0,0]=3 705 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,1,0,0,0,0|2,0,0]=3 706 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,1,0,0,0,0|2,0,0]=3 707 B9R0.1 CC(=O)CCSC(C)C#N 62a_100000053229_100000703298 [0,1,0,0,0,0|2,0,1]=4 708 B9R0.1 CC(=O)CCSC(C)C#N 62a_100000703298_100000053229 [0,1,0,0,0,0|2,0,1]=4 709 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,1,0,0,0,0|2,0,0]=3 710 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,1,0,0,0,0|2,0,0]=3 711 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,1,0,0,0,0|2,0,0]=3 712 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,1,0,0,0,0|3,0,0]=4 713 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,1,0,0,0,0|2,0,0]=3 714 B9R0.1 CC(=O)COC[C@@H](O)CF 34a_100000211253_100015614560 [0,1,0,0,0,0|3,0,0]=4 715 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,1,0,0,0,0|3,0,0]=4 716 B9R0.1 CC(=O)NCCC(=O)CF 1458a_100000183196_100015361967 [0,1,0,0,0,0|2,0,1]=4 717 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,1,0,0,0,0|2,0,1]=4 718 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,1,0,0,0,0|1,0,0]=2 719 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,1,0,0,0,0|1,0,0]=2 720 B9R0.1 CC(=O)NNCC(C)C#N 22a_100000045663_100000070787 [0,1,0,0,0,0|2,0,1]=4 721 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,1,0,0,0,0|1,0,1]=3 722 B9R0.1 CC(=O)OCOC(C)C#N 34a_100011218135_100009813279 [0,1,0,0,0,0|1,0,1]=3 723 B9R0.1 CC(=O)OCOC(C)CF 34a_100016041109_100009813279 [0,1,0,0,0,0|1,0,0]=2 724 B9R0.1 CC(=O)OCOC(C)CN 34a_100000210904_100009813279 [0,1,0,0,0,0|1,0,0]=2 725 B9R0.1 CC(=O)OCSC(C)C#N 62a_100000076356_100000703298 [0,1,0,0,0,0|1,0,1]=3 726 B9R0.1 CC(=O)OCSC(C)C#N 62a_100000703298_100000076356 [0,1,0,0,0,0|1,0,1]=3 727 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [0,1,0,0,0,0|1,0,0]=2 728 B9R0.1 CC(=O)OCSC(F)C#N 62a_100000076356_200000117898 [0,1,0,0,0,0|2,0,1]=4 729 B9R0.1 CC(=O)OCSC(F)C#N 62a_200000117898_100000076356 [0,1,0,0,0,0|2,0,1]=4 730 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [0,1,0,0,0,0|1,0,0]=2 731 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [0,1,0,0,0,0|1,0,0]=2 732 B9R0.1 CC(=O)SCCC(=O)CF 1458a_100000048949_100015361967 [0,1,0,0,0,0|1,1,1]=4 733 B9R0.1 CC(Br)CCOC(C)CO 34a_100009893172_100012180447 [0,1,0,0,0,0|1,0,2]=4 734 B9R0.1 CC(C)/C=C/CC(=O)CF 1458a_100016292215_100015361967 [0,1,0,0,0,0|1,0,2]=4 735 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,1,0,0,0,0|1,0,0]=2 736 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,0,0,0,0|1,0,0]=2 737 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [0,1,0,0,0,0|2,0,1]=4 738 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,1,0,0,0,0|1,0,2]=4 739 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,1,0,0,0,0|1,0,2]=4 740 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,1,0,0,0,0|1,0,0]=2 741 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,1,0,0,0,0|1,0,0]=2 742 B9R0.1 CC(C)CCNC(C)C#N 2230a_100000737613_100000210312 [0,1,0,0,0,0|2,0,1]=4 743 B9R0.1 CC(C)CCN[C@H](C)CF 269862a_100102880703_100000185833 [0,1,0,0,0,0|2,0,1]=4 744 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [0,1,0,0,0,0|1,0,2]=4 745 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [0,1,0,0,0,0|1,0,2]=4 746 B9R0.1 CC(C)CCOC(C)C#N 34a_100011218135_100000210312 [0,1,0,0,0,0|1,0,1]=3 747 B9R0.1 CC(C)CCOC(C)C#N 7a_100000210254_100000703298 [0,1,0,0,0,0|1,0,1]=3 748 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [0,1,0,0,0,0|1,0,1]=3 749 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [0,1,0,0,0,0|1,0,1]=3 750 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [0,1,0,0,0,0|1,0,1]=3 751 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [0,1,0,0,0,0|0,0,2]=3 752 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [0,1,0,0,0,0|0,0,2]=3 753 B9R0.1 CC(C)CCSC(C)C#N 62a_100000210312_100000703298 [0,1,0,0,0,0|1,1,1]=4 754 B9R0.1 CC(C)CCSC(C)C#N 62a_100000703298_100000210312 [0,1,0,0,0,0|1,1,1]=4 755 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [0,1,0,0,0,0|0,1,2]=4 756 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [0,1,0,0,0,0|0,1,2]=4 757 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [0,1,0,0,0,0|0,1,2]=4 758 B9R0.1 CC(C)CNNC(=O)CO 22a_100000696102_100000210174 [0,1,0,0,0,0|2,0,0]=3 759 B9R0.1 CC(C)COCC(=O)CF 1458a_100011223364_100015361967 [0,1,0,0,0,0|2,0,0]=3 760 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,1,0,0,0,0|2,0,0]=3 761 B9R0.1 CC(C)OCN[C@H](C)CO 2230a_100000737577_100000709892 [0,1,0,0,0,0|2,0,1]=4 762 B9R0.1 CC(C)OCOC(C)C#N 34a_100011218135_100000709892 [0,1,0,0,0,0|2,0,1]=4 763 B9R0.1 CC(C)OCOC(C)CF 34a_100016041109_100000709892 [0,1,0,0,0,0|2,0,1]=4 764 B9R0.1 CC(C)OCOC(C)CN 34a_100000210904_100000709892 [0,1,0,0,0,0|2,0,1]=4 765 B9R0.1 CC(C)OCSC(C)CO 62a_100012180447_100000709892 [0,1,0,0,0,0|2,0,1]=4 766 B9R0.1 CC(C)OCS[C@H](C)CO 62a_100000709892_100016084084 [0,1,0,0,0,0|2,0,1]=4 767 B9R0.1 CC(C)OCS[C@H](C)CO 62a_100016084084_100000709892 [0,1,0,0,0,0|2,0,1]=4 768 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,1,0,0,0,0|2,0,0]=3 769 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,1,0,0,0,0|2,0,0]=3 770 B9R0.1 CC(CF)OCCC(=O)N 34a_100016041109_100000731001 [0,1,0,0,0,0|3,0,0]=4 771 B9R0.1 CC(CF)OCCC(=O)N 7a_100016041109_100000744528 [0,1,0,0,0,0|3,0,0]=4 772 B9R0.1 CC(CF)OCCN(C)C 7a_100016041109_100000755713 [0,1,0,0,0,0|2,0,1]=4 773 B9R0.1 CC(CN)COCC(=O)N 34a_100000744482_100000187820 [0,1,0,0,0,0|3,0,0]=4 774 B9R0.1 CC(CN)COCC(=O)[O-] 34a_100000744482_100020667443 [0,1,0,0,0,0|3,0,0]=4 775 B9R0.1 CC(CN)OCCC(=O)N 34a_100000210904_100000731001 [0,1,0,0,0,0|3,0,0]=4 776 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [0,1,0,0,0,0|2,0,1]=4 777 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [0,1,0,0,0,0|2,0,1]=4 778 B9R0.1 CC(CO)CNCC(=O)N 34a_100000744482_100000187820 [0,1,0,0,0,0|3,0,0]=4 779 B9R0.1 CC(CO)CNCC(=O)[O-] 34a_100000744482_100020667443 [0,1,0,0,0,0|3,0,0]=4 780 B9R0.1 CC(CO)OCCC(=O)N 34a_100000757172_100012180447 [0,1,0,0,0,0|3,0,0]=4 781 B9R0.1 CC(CO)OCCC(=O)N 7a_100000757172_100012180447 [0,1,0,0,0,0|3,0,0]=4 782 B9R0.1 CC(CO)OCC[C@@H](C)N 34a_100000706166_100012180447 [0,1,0,0,0,0|1,0,2]=4 783 B9R0.1 CC(CO)SCCC(=O)N 62a_100012180447_100000744528 [0,1,0,0,0,0|3,0,0]=4 784 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,1,0,0,0,0|2,0,0]=3 785 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,1,0,0,0,0|2,0,0]=3 786 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,1,0,0,0,0|2,0,0]=3 787 B9R0.1 CC(O)CCOC(C)C#N 34a_100011218135_100012276601 [0,1,0,0,0,0|2,0,1]=4 788 B9R0.1 CC(O)CCOC(C)CF 34a_100016041109_100012276601 [0,1,0,0,0,0|2,0,1]=4 789 B9R0.1 CC(O)CCOC(C)CF 7a_100016041109_100012276601 [0,1,0,0,0,0|2,0,1]=4 790 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [0,1,0,0,0,0|2,0,1]=4 791 B9R0.1 CC(O)CNNC(=O)CO 22a_200000730056_100000210174 [0,1,0,0,0,0|3,0,0]=4 792 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [0,1,0,0,0,0|1,0,2]=4 793 B9R0.1 CCC(=O)C=CCN(C)C 1458a_100000754359_100000210202 [0,1,0,0,0,0|2,0,1]=4 794 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,1,0,0,0,0|1,0,2]=4 795 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,0,0,0,0|2,0,1]=4 796 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,1,0,0,0,0|1,0,0]=2 797 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,1,0,0,0,0|1,0,0]=2 798 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,0,0,0,0|2,0,0]=3 799 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [0,1,0,0,0,0|2,0,0]=3 800 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,1,0,0,0,0|2,0,1]=4 801 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,1,0,0,0,0|2,0,1]=4 802 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,1,0,0,0,0|1,0,1]=3 803 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,1,0,0,0,0|2,0,1]=4 804 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [0,1,0,0,0,0|2,0,0]=3 805 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,1,0,0,0,0|1,1,1]=4 806 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [0,1,0,0,0,0|2,0,0]=3 807 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [0,1,0,0,0,0|2,0,0]=3 808 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [0,1,0,0,0,0|2,0,0]=3 809 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,1,0,0,0,0|3,0,0]=4 810 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,1,0,0,0,0|3,0,0]=4 811 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [0,1,0,0,0,0|2,0,0]=3 812 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [0,1,0,0,0,0|2,0,0]=3 813 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,1,0,0,0,0|3,0,0]=4 814 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,1,0,0,0,0|3,0,0]=4 815 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,1,0,0,0,0|3,0,0]=4 816 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,1,0,0,0,0|3,0,0]=4 817 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [0,1,0,0,0,0|1,0,2]=4 818 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [0,1,0,0,0,0|1,0,2]=4 819 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [0,1,0,0,0,0|1,0,2]=4 820 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,1,0,0,0,0|1,0,0]=2 821 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,1,0,0,0,0|1,0,0]=2 822 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,1,0,0,0,0|1,0,0]=2 823 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,1,0,0,0,0|1,0,0]=2 824 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,1,0,0,0,0|2,0,0]=3 825 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,1,0,0,0,0|2,0,0]=3 826 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [0,1,0,0,0,0|2,0,0]=3 827 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [0,1,0,0,0,0|2,0,0]=3 828 B9R0.1 CCC(=O)NN=CC(C)C 4a_100000183195_100000210432 [0,1,0,0,0,0|2,0,1]=4 829 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [0,1,0,0,0,0|2,0,0]=3 830 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [0,1,0,0,0,0|3,0,0]=4 831 B9R0.1 CCC(C)C=NNC(=O)C 4a_100000189765_100000243153 [0,1,0,0,0,0|2,0,1]=4 832 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,1,0,0,0,0|1,0,0]=2 833 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,1,0,0,0,0|1,0,0]=2 834 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,1,0,0,0,0|1,0,0]=2 835 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,1,0,0,0,0|1,0,0]=2 836 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [0,1,0,0,0,0|2,0,1]=4 837 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,1,0,0,0,0|1,0,1]=3 838 B9R0.1 CCC(C)CNCC(=O)N 2230a_100000711301_100000748023 [0,1,0,0,0,0|3,0,0]=4 839 B9R0.1 CCC(C)CNCC(=O)N 2230a_100020588543_100000747473 [0,1,0,0,0,0|3,0,0]=4 840 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,1,0,0,0,0|3,0,0]=4 841 B9R0.1 CCC(C)COCC(=O)C 34a_100000211253_100000748023 [0,1,0,0,0,0|2,0,0]=3 842 B9R0.1 CCC(C)CSCC(=O)N 62a_100000747473_100000748023 [0,1,0,0,0,0|3,0,0]=4 843 B9R0.1 CCC(C)CSCC(=O)N 62a_100000748023_100000747473 [0,1,0,0,0,0|3,0,0]=4 844 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100000748023_100020667443 [0,1,0,0,0,0|3,0,0]=4 845 B9R0.1 CCC(C)CSCC(=O)[O-] 62a_100020667443_100000748023 [0,1,0,0,0,0|3,0,0]=4 846 B9R0.1 CCC(C)NCC=C(C)C 2230a_100000209981_100000761012 [0,1,0,0,0,0|3,0,0]=4 847 B9R0.1 CCC(C)NCC=C(C)C 34a_100000718196_100011215416 [0,1,0,0,0,0|3,0,0]=4 848 B9R0.1 CCC(C)NCCC(=O)N 2230a_100000209981_100000744528 [0,1,0,0,0,0|3,0,0]=4 849 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [0,1,0,0,0,0|2,0,1]=4 850 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [0,1,0,0,0,0|2,0,1]=4 851 B9R0.1 CCC(C)NCOC(C)C 2230a_100000209981_100000709892 [0,1,0,0,0,0|2,0,1]=4 852 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [0,1,0,0,0,0|3,0,0]=4 853 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [0,1,0,0,0,0|3,0,0]=4 854 B9R0.1 CCC(C)OCCC(=O)C 34a_100000759926_100011215416 [0,1,0,0,0,0|2,0,0]=3 855 B9R0.1 CCC(C)OCCC(=O)C 7a_100000210228_100000053229 [0,1,0,0,0,0|2,0,0]=3 856 B9R0.1 CCC(C)OCCC(=O)C 7a_100000759926_100000758301 [0,1,0,0,0,0|2,0,0]=3 857 B9R0.1 CCC(C)OCCC(=O)N 34a_100000757172_100011215416 [0,1,0,0,0,0|3,0,0]=4 858 B9R0.1 CCC(C)OCCC(=O)N 7a_100000210228_100000744528 [0,1,0,0,0,0|3,0,0]=4 859 B9R0.1 CCC(C)OCCC(=O)N 7a_100000757172_100000758301 [0,1,0,0,0,0|3,0,0]=4 860 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [0,1,0,0,0,0|2,0,1]=4 861 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,1,0,0,0,0|1,0,1]=3 862 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,1,0,0,0,0|1,0,1]=3 863 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,1,0,0,0,0|1,0,1]=3 864 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,1,0,0,0,0|2,0,1]=4 865 B9R0.1 CCC(C)OCCN(C)C 7a_100000210228_100000755713 [0,1,0,0,0,0|2,0,1]=4 866 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [0,1,0,0,0,0|2,0,1]=4 867 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [0,1,0,0,0,0|3,0,0]=4 868 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [0,1,0,0,0,0|3,0,0]=4 869 B9R0.1 CCC(C)SCCC(=O)C 62a_100000053229_100000758301 [0,1,0,0,0,0|2,0,0]=3 870 B9R0.1 CCC(C)SCCC(=O)C 62a_100000758301_100000053229 [0,1,0,0,0,0|2,0,0]=3 871 B9R0.1 CCC(C)SCCC(=O)N 62a_100000744528_100000758301 [0,1,0,0,0,0|3,0,0]=4 872 B9R0.1 CCC(C)SCCC(=O)N 62a_100000758301_100000744528 [0,1,0,0,0,0|3,0,0]=4 873 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [0,1,0,0,0,0|1,1,1]=4 874 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [0,1,0,0,0,0|1,1,1]=4 875 B9R0.1 CCC(C)SCOC(=O)C 62a_100000076356_100000758301 [0,1,0,0,0,0|1,0,0]=2 876 B9R0.1 CCC(C)SCOC(=O)C 62a_100000758301_100000076356 [0,1,0,0,0,0|1,0,0]=2 877 B9R0.1 CCC(C)SCOC(C)C 62a_100000709892_100000758301 [0,1,0,0,0,0|2,0,1]=4 878 B9R0.1 CCC(C)SCOC(C)C 62a_100000758301_100000709892 [0,1,0,0,0,0|2,0,1]=4 879 B9R0.1 CCC(O)CNNC(=O)C 22a_100015206393_100000070787 [0,1,0,0,0,0|3,0,0]=4 880 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,1,0,0,0,0|3,0,0]=4 881 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [0,1,0,0,0,0|3,0,0]=4 882 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [0,1,0,0,0,0|3,0,0]=4 883 B9R0.1 CCN(C)CCCC(=O)C 1458a_100000070787_100015186262 [0,1,0,0,0,0|2,0,0]=3 884 B9R0.1 CCN(C)CCCC(=O)C 269982a_100000225621_100011215641 [0,1,0,0,0,0|2,0,0]=3 885 B9R0.1 CCN(C)CCCC(=O)N 269982a_100000225621_100102525003 [0,1,0,0,0,0|3,0,0]=4 886 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,1,0,0,0,0|3,0,0]=4 887 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [0,1,0,0,0,0|3,0,0]=4 888 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [0,1,0,0,0,0|3,0,0]=4 889 B9R0.1 CCN(C)CCNC(=O)C 2230a_100000225621_100000189650 [0,1,0,0,0,0|2,0,0]=3 890 B9R0.1 CCN(C)CCNC(=O)C 269982a_100000225621_100000189650 [0,1,0,0,0,0|2,0,0]=3 891 B9R0.1 CCN(C)CCNC(=O)N 2230a_100000225621_200000034859 [0,1,0,0,0,0|3,0,0]=4 892 B9R0.1 CCN(C)CCNC(=O)N 269982a_100000225621_200000034859 [0,1,0,0,0,0|3,0,0]=4 893 B9R0.1 CCN(C)CCOC(=O)C 269982a_100000225621_100009814007 [0,1,0,0,0,0|1,0,0]=2 894 B9R0.1 CCN(C)CCOC(=O)N 269982a_100000225621_200011214921 [0,1,0,0,0,0|2,0,0]=3 895 B9R0.1 CCN(C)CCOC(C)C 2230a_100000225621_100000211751 [0,1,0,0,0,0|2,0,1]=4 896 B9R0.1 CCN(C)CCOC(C)C 269982a_100000225621_100000211751 [0,1,0,0,0,0|2,0,1]=4 897 B9R0.1 CC[C@H](C)CNCC(=O)N 2230a_100000711301_100009816398 [0,1,0,0,0,0|3,0,0]=4 898 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,1,0,0,0,0|3,0,0]=4 899 B9R0.1 CC[C@H](C)COCC(=O)C 34a_100000211253_100009816398 [0,1,0,0,0,0|2,0,0]=3 900 B9R0.1 CC[C@H](C)COCC(=O)N 7a_100009816381_100000187820 [0,1,0,0,0,0|3,0,0]=4 901 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100000747473_100009816398 [0,1,0,0,0,0|3,0,0]=4 902 B9R0.1 CC[C@H](C)CSCC(=O)N 62a_100009816398_100000747473 [0,1,0,0,0,0|3,0,0]=4 903 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100009816398_100020667443 [0,1,0,0,0,0|3,0,0]=4 904 B9R0.1 CC[C@H](C)CSCC(=O)[O-] 62a_100020667443_100009816398 [0,1,0,0,0,0|3,0,0]=4 905 B9R0.1 CN(C)CC=CC(=O)CF 1458a_100000754359_100015361967 [0,1,0,0,0,0|2,0,1]=4 906 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,1,0,0,0,0|2,0,0]=3 907 B9R0.1 CN(C)CCNC(=O)CO 240690a_100000210585_100000210174 [0,1,0,0,0,0|2,0,0]=3 908 B9R0.1 CN(C)CCNC(=O)CO 527a_100000210585_100000210174 [0,1,0,0,0,0|2,0,0]=3 909 B9R0.1 CN(CCCC(=O)[13CH3])N=O 1458a_200000076914_200025704644 [0,1,0,0,0,0|3,0,0]=4 910 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,1,0,0,0,0|3,0,0]=4 911 B9R0.1 CNC(=O)C/C=C/C(C)C 11a_106832991635_100016292215 [0,1,0,0,0,0|1,0,2]=4 912 B9R0.1 CNC(=O)C/C=C/C(C)C 1626a_100102657272_100016292215 [0,1,0,0,0,0|1,0,2]=4 913 B9R0.1 CNC(=O)C/C=C/C(C)C 240690a_100102657272_100016292215 [0,1,0,0,0,0|1,0,2]=4 914 B9R0.1 CNC(=O)C=CCN(C)C 240690a_100102657272_100000754359 [0,1,0,0,0,0|2,0,1]=4 915 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,1,0,0,0,0|2,0,1]=4 916 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,1,0,0,0,0|1,0,0]=2 917 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,1,0,0,0,0|1,0,0]=2 918 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,1,0,0,0,0|1,0,0]=2 919 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,1,0,0,0,0|1,0,0]=2 920 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,1,0,0,0,0|2,0,0]=3 921 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,1,0,0,0,0|2,0,0]=3 922 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [0,1,0,0,0,0|2,0,0]=3 923 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [0,1,0,0,0,0|2,0,0]=3 924 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [0,1,0,0,0,0|2,0,0]=3 925 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [0,1,0,0,0,0|2,0,0]=3 926 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,1,0,0,0,0|2,0,1]=4 927 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,1,0,0,0,0|2,0,1]=4 928 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 929 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,1,0,0,0,0|2,0,1]=4 930 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 931 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,1,0,0,0,0|2,0,1]=4 932 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,1,0,0,0,0|2,0,1]=4 933 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [0,1,0,0,0,0|2,0,0]=3 934 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [0,1,0,0,0,0|2,0,0]=3 935 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [0,1,0,0,0,0|2,0,0]=3 936 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [0,1,0,0,0,0|2,0,0]=3 937 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [0,1,0,0,0,0|2,0,0]=3 938 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [0,1,0,0,0,0|2,0,0]=3 939 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,1,0,0,0,0|1,1,1]=4 940 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,1,0,0,0,0|1,1,1]=4 941 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [0,1,0,0,0,0|2,0,0]=3 942 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [0,1,0,0,0,0|2,0,0]=3 943 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [0,1,0,0,0,0|2,0,0]=3 944 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [0,1,0,0,0,0|2,0,0]=3 945 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [0,1,0,0,0,0|2,0,0]=3 946 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [0,1,0,0,0,0|2,0,0]=3 947 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,1,0,0,0,0|3,0,0]=4 948 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,1,0,0,0,0|3,0,0]=4 949 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,1,0,0,0,0|3,0,0]=4 950 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,1,0,0,0,0|3,0,0]=4 951 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [0,1,0,0,0,0|3,0,0]=4 952 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [0,1,0,0,0,0|2,0,0]=3 953 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [0,1,0,0,0,0|2,0,0]=3 954 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [0,1,0,0,0,0|2,0,0]=3 955 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [0,1,0,0,0,0|2,0,0]=3 956 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [0,1,0,0,0,0|2,0,0]=3 957 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [0,1,0,0,0,0|2,0,0]=3 958 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [0,1,0,0,0,0|3,0,0]=4 959 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,1,0,0,0,0|3,0,0]=4 960 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [0,1,0,0,0,0|3,0,0]=4 961 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [0,1,0,0,0,0|3,0,0]=4 962 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,1,0,0,0,0|3,0,0]=4 963 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [0,1,0,0,0,0|2,0,0]=3 964 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [0,1,0,0,0,0|2,0,0]=3 965 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,1,0,0,0,0|3,0,0]=4 966 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,1,0,0,0,0|3,0,0]=4 967 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,1,0,0,0,0|3,0,0]=4 968 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,1,0,0,0,0|3,0,0]=4 969 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100000718196_106832991635 [0,1,0,0,0,0|1,0,2]=4 970 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100102657272_100000718196 [0,1,0,0,0,0|1,0,2]=4 971 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100000718196_100102657272 [0,1,0,0,0,0|1,0,2]=4 972 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100102657272_100000718196 [0,1,0,0,0,0|1,0,2]=4 973 B9R0.1 CNC(=O)NCC=C(C)C 512a_100000718196_100102657272 [0,1,0,0,0,0|1,0,2]=4 974 B9R0.1 CNC(=O)NCC=C(C)C 512a_106832991638_100000718196 [0,1,0,0,0,0|1,0,2]=4 975 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,1,0,0,0,0|1,0,0]=2 976 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,1,0,0,0,0|1,0,0]=2 977 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,1,0,0,0,0|1,0,0]=2 978 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,1,0,0,0,0|1,0,0]=2 979 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,1,0,0,0,0|1,0,0]=2 980 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,1,0,0,0,0|1,0,0]=2 981 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,1,0,0,0,0|2,0,0]=3 982 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,1,0,0,0,0|2,0,0]=3 983 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,1,0,0,0,0|2,0,0]=3 984 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,1,0,0,0,0|2,0,0]=3 985 B9R0.1 CNC(=O)NCCN(C)C 2708a_100102657272_100000210585 [0,1,0,0,0,0|2,0,0]=3 986 B9R0.1 CNC(=O)NCCN(C)C 273464a_100000210585_100102657272 [0,1,0,0,0,0|2,0,0]=3 987 B9R0.1 CNC(=O)NCCN(C)C 273464a_100102657272_100000210585 [0,1,0,0,0,0|2,0,0]=3 988 B9R0.1 CNC(=O)NCCN(C)C 512a_106832991638_100000210585 [0,1,0,0,0,0|2,0,0]=3 989 B9R0.1 CNC(=O)NNCC(C)C 273464a_100102657272_100000696102 [0,1,0,0,0,0|2,0,0]=3 990 B9R0.1 CNC(=O)NNCC(C)C 512a_100000696102_100102657272 [0,1,0,0,0,0|2,0,0]=3 991 B9R0.1 CNC(=O)NNCC(C)C 512a_106832991638_100000696102 [0,1,0,0,0,0|2,0,0]=3 992 B9R0.1 CNC(=O)NNCC(C)O 512a_106832991638_200000730056 [0,1,0,0,0,0|3,0,0]=4 993 B9R0.1 CNC(=O)NNCC(C)O 512a_200000730056_100102657272 [0,1,0,0,0,0|3,0,0]=4 994 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,1,0,0,0,0|1,0,1]=3 995 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [0,1,0,0,0,0|1,0,0]=2 996 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [0,1,0,0,0,0|2,0,0]=3 997 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [0,1,0,0,0,0|2,0,1]=4 998 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [0,1,0,0,0,0|2,0,1]=4 999 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [0,1,0,0,0,0|1,0,1]=3 1000 B9R0.1 COC(=O)/C=C/CN(C)C 2230a_100102631434_100000742655 [0,1,0,0,0,0|2,0,1]=4 1001 B9R0.1 COC(=O)/C=C/CN(C)C 269982a_100102631434_100000742655 [0,1,0,0,0,0|2,0,1]=4 1002 B9R0.1 COC(=O)C=NNC(C)C 4a_100000741168_200011823558 [0,1,0,0,0,0|3,0,0]=4 1003 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,0,0,0,0|2,0,1]=4 1004 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,0,0,0,0|2,0,1]=4 1005 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,0,0,0,0|2,0,1]=4 1006 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,1,0,0,0,0|2,0,0]=3 1007 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,1,0,0,0,0|2,0,0]=3 1008 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,1,0,0,0,0|2,0,0]=3 1009 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,1,0,0,0,0|2,0,0]=3 1010 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,1,0,0,0,0|2,0,1]=4 1011 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,1,0,0,0,0|2,0,0]=3 1012 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,1,0,0,0,0|2,0,0]=3 1013 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,1,0,0,0,0|2,0,0]=3 1014 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,1,0,0,0,0|2,0,0]=3 1015 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,1,0,0,0,0|2,0,0]=3 1016 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,1,0,0,0,0|2,0,0]=3 1017 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,1,0,0,0,0|2,0,0]=3 1018 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,1,0,0,0,0|3,0,0]=4 1019 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,1,0,0,0,0|3,0,0]=4 1020 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,1,0,0,0,0|3,0,0]=4 1021 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,1,0,0,0,0|2,0,0]=3 1022 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,1,0,0,0,0|3,0,0]=4 1023 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,1,0,0,0,0|3,0,0]=4 1024 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,1,0,0,0,0|3,0,0]=4 1025 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,1,0,0,0,0|2,0,0]=3 1026 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,1,0,0,0,0|2,0,0]=3 1027 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,1,0,0,0,0|3,0,0]=4 1028 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,1,0,0,0,0|3,0,0]=4 1029 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,1,0,0,0,0|3,0,0]=4 1030 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,1,0,0,0,0|3,0,0]=4 1031 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [0,1,0,0,0,0|1,0,0]=2 1032 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [0,1,0,0,0,0|2,0,0]=3 1033 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [0,1,0,0,0,0|2,0,0]=3 1034 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,1,0,0,0,0|2,0,0]=3 1035 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,1,0,0,0,0|1,0,2]=4 1036 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,1,0,0,0,0|1,0,2]=4 1037 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [0,1,0,0,0,0|1,0,1]=3 1038 B9R0.1 COC(C)COCC(=O)N 34a_100000690652_100000187820 [0,1,0,0,0,0|3,0,0]=4 1039 B9R0.1 COC(C)COCC(=O)[O-] 34a_100000690652_100020667443 [0,1,0,0,0,0|3,0,0]=4 1040 B9R0.1 COC(C)SCC=C(C)C 62a_100000761012_100009879195 [0,1,0,0,0,0|3,0,0]=4 1041 B9R0.1 COC(C)SCC=C(C)C 62a_100009879195_100000761012 [0,1,0,0,0,0|3,0,0]=4 1042 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,1,0,0,0,0|2,0,0]=3 1043 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,1,0,0,0,0|2,0,0]=3 1044 B9R0.1 COC(C)SCCC(=O)N 62a_100000744528_100009879195 [0,1,0,0,0,0|3,0,0]=4 1045 B9R0.1 COC(C)SCCC(=O)N 62a_100009879195_100000744528 [0,1,0,0,0,0|3,0,0]=4 1046 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [0,1,0,0,0,0|0,1,2]=4 1047 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [0,1,0,0,0,0|0,1,2]=4 1048 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [0,1,0,0,0,0|1,0,0]=2 1049 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [0,1,0,0,0,0|1,0,0]=2 1050 B9R0.1 COC(C)SCOC(C)C 62a_100000709892_100009879195 [0,1,0,0,0,0|2,0,1]=4 1051 B9R0.1 COC(C)SCOC(C)C 62a_100009879195_100000709892 [0,1,0,0,0,0|2,0,1]=4 1052 B9R0.1 CO[C@H](C)CNCC(=O)N 2230a_100020591295_100000747473 [0,1,0,0,0,0|3,0,0]=4 1053 B9R0.1 C[C@@H](CO)CNCC(=O)N 2230a_100000711301_100000059175 [0,1,0,0,0,0|3,0,0]=4 1054 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,1,0,0,0,0|3,0,0]=4 1055 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000059175_100000747473 [0,1,0,0,0,0|3,0,0]=4 1056 B9R0.1 C[C@@H](CO)CSCC(=O)N 62a_100000747473_100000059175 [0,1,0,0,0,0|3,0,0]=4 1057 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100000059175_100020667443 [0,1,0,0,0,0|3,0,0]=4 1058 B9R0.1 C[C@@H](CO)CSCC(=O)[O-] 62a_100020667443_100000059175 [0,1,0,0,0,0|3,0,0]=4 1059 B9R0.1 C[C@H](CO)NCCC(=O)N 2230a_100000737577_100000744528 [0,1,0,0,0,0|3,0,0]=4 1060 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100000744528_100016084084 [0,1,0,0,0,0|3,0,0]=4 1061 B9R0.1 C[C@H](CO)SCCC(=O)N 62a_100016084084_100000744528 [0,1,0,0,0,0|3,0,0]=4 1062 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [0,1,0,0,0,0|2,0,1]=4 1063 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,1,0,0,0,0|2,0,0]=3 1064 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,1,0,0,0,0|3,0,0]=4 1065 B9R0.7 C=C(C)C(=O)NCC(C)C 11a_100000210953_100000185857 [0,1,0,0,0,0|3,0,0]=4 1066 B9R0.7 C=C(C)C(=O)NCC(C)C 1626a_100000210953_100000185857 [0,1,0,0,0,0|3,0,0]=4 1067 B9R0.7 C=C(C)C(C)NCC(C)C 269862a_100000210953_100011216138 [0,1,0,0,0,0|3,0,0]=4 1068 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,1,0,0,0,0|2,0,1]=4 1069 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,1,0,0,0,0|2,0,1]=4 1070 B9R0.7 C=C(C)CCC(C)N(C)C 270004a_100102631434_100011215600 [0,1,0,0,0,0|3,0,0]=4 1071 B9R0.7 C=C(C)CCN(C)C(C)C 269982a_200000211004_100000730704 [0,1,0,0,0,0|3,0,0]=4 1072 B9R0.7 C=C(C)CNC(C)C(C)C 2230a_100000211541_100000748629 [0,1,0,0,0,0|3,0,0]=4 1073 B9R0.7 C=C(C)COC(C)C(C)C 7a_100000748068_100000748629 [0,1,0,0,0,0|3,0,0]=4 1074 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100000210198_100000761012 [0,1,0,0,0,0|2,0,1]=4 1075 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100011220947_100000210206 [0,1,0,0,0,0|2,0,1]=4 1076 B9R0.7 CC(=CCN(C)C(C)C)C 269982a_200000211004_100000761012 [0,1,0,0,0,0|3,0,0]=4 1077 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,1,0,0,0,0|2,0,0]=3 1078 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,1,0,0,0,0|2,0,0]=3 1079 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,1,0,0,0,0|2,0,0]=3 1080 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,1,0,0,0,0|2,0,0]=3 1081 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,1,0,0,0,0|2,0,0]=3 1082 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,1,0,0,0,0|1,0,0]=2 1083 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,1,0,0,0,0|2,0,0]=3 1084 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,1,0,0,0,0|2,0,0]=3 1085 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,1,0,0,0,0|2,0,0]=3 1086 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,1,0,0,0,0|3,0,0]=4 1087 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,1,0,0,0,0|2,0,0]=3 1088 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,1,0,0,0,0|3,0,0]=4 1089 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,1,0,0,0,0|3,0,0]=4 1090 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,1,0,0,0,0|2,0,0]=3 1091 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,1,0,0,0,0|2,0,0]=3 1092 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,1,0,0,0,0|3,0,0]=4 1093 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,1,0,0,0,0|3,0,0]=4 1094 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,1,0,0,0,0|3,0,0]=4 1095 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,1,0,0,0,0|3,0,0]=4 1096 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,1,0,0,0,0|2,0,1]=4 1097 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,1,0,0,0,0|2,0,1]=4 1098 B9R0.7 CC(=O)CCN(C)C(C)C 1458a_100015184040_200000210301 [0,1,0,0,0,0|2,0,0]=3 1099 B9R0.7 CC(=O)CCN(C)C(C)C 269982a_200000211004_100000053229 [0,1,0,0,0,0|2,0,0]=3 1100 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,1,0,0,0,0|2,0,1]=4 1101 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,1,0,0,0,0|2,0,1]=4 1102 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,1,0,0,0,0|2,0,1]=4 1103 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,1,0,0,0,0|1,0,0]=2 1104 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,1,0,0,0,0|1,0,0]=2 1105 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,1,0,0,0,0|1,0,0]=2 1106 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,1,0,0,0,0|1,0,0]=2 1107 B9R0.7 CC(=O)N(C)CCN(C)C 240690a_100000225618_100015343762 [0,1,0,0,0,0|2,0,0]=3 1108 B9R0.7 CC(=O)N(C)CCN(C)C 527a_100000225618_100103153847 [0,1,0,0,0,0|2,0,0]=3 1109 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [0,1,0,0,0,0|1,0,1]=3 1110 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100015183351_100015343762 [0,1,0,0,0,0|2,0,1]=4 1111 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100102631434_100000194580 [0,1,0,0,0,0|2,0,1]=4 1112 B9R0.7 CC(=O)NCC(=O)N(C)C 1626a_100102631434_100000194580 [0,1,0,0,0,0|2,0,1]=4 1113 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100015183351_100015343762 [0,1,0,0,0,0|2,0,1]=4 1114 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100102631434_100000194580 [0,1,0,0,0,0|2,0,1]=4 1115 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100015183351_100103153847 [0,1,0,0,0,0|2,0,1]=4 1116 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100102631434_100000194580 [0,1,0,0,0,0|2,0,1]=4 1117 B9R0.7 CC(=O)NCC(O)C(C)C 11a_100000759067_100015343762 [0,1,0,0,0,0|1,0,0]=2 1118 B9R0.7 CC(=O)NCC(O)C(C)C 240690a_100000759067_100015343762 [0,1,0,0,0,0|1,0,0]=2 1119 B9R0.7 CC(=O)NCC(O)C(C)C 527a_100000759067_100103153847 [0,1,0,0,0,0|1,0,0]=2 1120 B9R0.7 CC(=O)NN=C(C)C(C)C 4a_100000189765_100000211110 [0,1,0,0,0,0|2,0,1]=4 1121 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000184118_100000070787 [0,1,0,0,0,0|2,0,1]=4 1122 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000189765_100000210198 [0,1,0,0,0,0|2,0,1]=4 1123 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,1,0,0,0,0|0,0,1]=2 1124 B9R0.7 CC(=O)OCC(=O)N(C)C 1626a_100102631434_100000183556 [0,1,0,0,0,0|1,0,1]=3 1125 B9R0.7 CC(=O)OCC(=O)N(C)C 240690a_100102631434_100000183556 [0,1,0,0,0,0|1,0,1]=3 1126 B9R0.7 CC(=O)OCC(=O)N(C)C 527a_100102631434_100000183556 [0,1,0,0,0,0|1,0,1]=3 1127 B9R0.7 CC(=O)OCC(C)N(C)C 270004a_100102631434_100000000629 [0,1,0,0,0,0|1,0,0]=2 1128 B9R0.7 CC(=O)OCN(C)C(C)C 269982a_200000211004_100000076356 [0,1,0,0,0,0|1,0,0]=2 1129 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [0,1,0,0,0,0|0,1,1]=3 1130 B9R0.7 CC(=O)SCC(=O)N(C)C 11a_100102631434_100000049016 [0,1,0,0,0,0|1,1,1]=4 1131 B9R0.7 CC(=O)SCC(=O)N(C)C 1626a_100102631434_100000049016 [0,1,0,0,0,0|1,1,1]=4 1132 B9R0.7 CC(=O)SCC(=O)N(C)C 240690a_100102631434_100000049016 [0,1,0,0,0,0|1,1,1]=4 1133 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,1,0,0,0,0|1,1,1]=4 1134 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,1,0,0,0,0|1,1,1]=4 1135 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,1,0,0,0,0|2,0,1]=4 1136 B9R0.7 CC(C)C(=O)CNC(=O)N 1458a_100000184981_100000210206 [0,1,0,0,0,0|2,0,1]=4 1137 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,1,0,0,0,0|2,0,1]=4 1138 B9R0.7 CC(C)C(C)NCC(=O)N 2230a_100000211541_100000747473 [0,1,0,0,0,0|3,0,0]=4 1139 B9R0.7 CC(C)C(C)OCC(=O)N 7a_100000748068_100000187820 [0,1,0,0,0,0|3,0,0]=4 1140 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [0,1,0,0,0,0|2,0,1]=4 1141 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [0,1,0,0,0,0|2,0,1]=4 1142 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [0,1,0,0,0,0|2,0,1]=4 1143 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [0,1,0,0,0,0|3,0,0]=4 1144 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [0,1,0,0,0,0|3,0,0]=4 1145 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [0,1,0,0,0,0|3,0,0]=4 1146 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [0,1,0,0,0,0|3,0,0]=4 1147 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,1,0,0,0,0|1,0,2]=4 1148 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,1,0,0,0,0|1,0,2]=4 1149 B9R0.7 CC(C)CCC(C)N(C)C 2230a_100102631434_100011261404 [0,1,0,0,0,0|3,0,0]=4 1150 B9R0.7 CC(C)CCC(C)N(C)C 269982a_100102631434_100011261404 [0,1,0,0,0,0|3,0,0]=4 1151 B9R0.7 CC(C)CCC(C)N(C)C 270004a_100102631434_100000210476 [0,1,0,0,0,0|3,0,0]=4 1152 B9R0.7 CC(C)CCN(C)C(C)C 2230a_100000742789_100000210206 [0,1,0,0,0,0|2,0,1]=4 1153 B9R0.7 CC(C)CCN(C)C(C)C 269982a_100000742789_100000210206 [0,1,0,0,0,0|2,0,1]=4 1154 B9R0.7 CC(C)CCN(C)C(C)C 269982a_200000211004_100000210312 [0,1,0,0,0,0|2,0,1]=4 1155 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,1,0,0,0,0|3,0,0]=4 1156 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,1,0,0,0,0|2,0,0]=3 1157 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [0,1,0,0,0,0|3,0,0]=4 1158 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [0,1,0,0,0,0|3,0,0]=4 1159 B9R0.7 CC(C)CNC(F)C(=O)N 2230a_100000210953_100009813875 [0,1,0,0,0,0|3,0,0]=4 1160 B9R0.7 CC(C)CNC(F)C(=O)N 34a_100000210953_100009813875 [0,1,0,0,0,0|3,0,0]=4 1161 B9R0.7 CC(C)CNC(F)C(=O)[O-] 34a_100000210953_100020610796 [0,1,0,0,0,0|3,0,0]=4 1162 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,1,0,0,0,0|3,0,0]=4 1163 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [0,1,0,0,0,0|3,0,0]=4 1164 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [0,1,0,0,0,0|3,0,0]=4 1165 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [0,1,0,0,0,0|3,0,0]=4 1166 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [0,1,0,0,0,0|3,0,0]=4 1167 B9R0.7 CC(C)COC(F)C(=O)N 34a_100000210257_100009813875 [0,1,0,0,0,0|3,0,0]=4 1168 B9R0.7 CC(C)COC(F)C(=O)[O-] 34a_100000210257_100020610796 [0,1,0,0,0,0|3,0,0]=4 1169 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [0,1,0,0,0,0|3,0,0]=4 1170 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [0,1,0,0,0,0|3,0,0]=4 1171 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [0,1,0,0,0,0|3,0,0]=4 1172 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,1,0,0,0,0|3,0,0]=4 1173 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,1,0,0,0,0|3,0,0]=4 1174 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100000210624_100009813875 [0,1,0,0,0,0|3,0,0]=4 1175 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100009813875_100000210760 [0,1,0,0,0,0|3,0,0]=4 1176 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100000210624_100020610796 [0,1,0,0,0,0|3,0,0]=4 1177 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000210760 [0,1,0,0,0,0|3,0,0]=4 1178 B9R0.7 CC(C)N(C)CCC(=O)N 2230a_100000730477_100000210206 [0,1,0,0,0,0|3,0,0]=4 1179 B9R0.7 CC(C)N(C)CCC(=O)N 2230a_100011191440_200000210301 [0,1,0,0,0,0|3,0,0]=4 1180 B9R0.7 CC(C)N(C)CCC(=O)N 269982a_100011191440_200000210301 [0,1,0,0,0,0|3,0,0]=4 1181 B9R0.7 CC(C)N(C)CCC(=O)N 269982a_200000211004_100000744528 [0,1,0,0,0,0|3,0,0]=4 1182 B9R0.7 CC(C)N(C)CCC(=O)[13CH3] 1458a_100015184040_200025704644 [0,1,0,0,0,0|2,0,0]=3 1183 B9R0.7 CC(C)N([13CH3])CCC(=O)N 2230a_100011191440_200025704644 [0,1,0,0,0,0|3,0,0]=4 1184 B9R0.7 CC(C)N([13CH3])CCC(=O)N 269982a_100011191440_200025704644 [0,1,0,0,0,0|3,0,0]=4 1185 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,1,0,0,0,0|3,0,0]=4 1186 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,1,0,0,0,0|3,0,0]=4 1187 B9R0.7 CC(C)NCC(O)C(C)C 2230a_100000759067_100000210206 [0,1,0,0,0,0|2,0,1]=4 1188 B9R0.7 CC(C)NCC(O)C(C)C 34a_100000759067_100000210206 [0,1,0,0,0,0|2,0,1]=4 1189 B9R0.7 CC(C)OCC(=O)C(C)C 1458a_100000745533_100000210206 [0,1,0,0,0,0|1,0,2]=4 1190 B9R0.7 CC(C)OCC(=O)C(C)C 34a_100000212225_100000753385 [0,1,0,0,0,0|1,0,2]=4 1191 B9R0.7 CC(C)OCN(C)C(C)C 269982a_200000211004_100000709892 [0,1,0,0,0,0|2,0,1]=4 1192 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [0,1,0,0,0,0|3,0,0]=4 1193 B9R0.7 CC(C)OC[C@H](N)C(C)C 34a_100011830312_100000210206 [0,1,0,0,0,0|1,0,1]=3 1194 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,1,0,0,0,0|2,0,1]=4 1195 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,1,0,0,0,0|2,0,1]=4 1196 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000225649_100000210760 [0,1,0,0,0,0|3,0,0]=4 1197 B9R0.53 C=C(C)CN(C)CC(C)C 2230a_100000747067_100000748629 [0,1,0,0,0,0|3,0,0]=4 1198 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000225649_100000210624 [0,1,0,0,0,0|3,0,0]=4 1199 B9R0.53 C=C(C)CN(C)CC(C)C 269982a_100000747067_100000748629 [0,1,0,0,0,0|3,0,0]=4 1200 B9R0.53 C=C(C)CN(C)CC(C)C 270004a_100000225649_100000210432 [0,1,0,0,0,0|3,0,0]=4 1201 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,1,0,0,0,0|2,0,1]=4 1202 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,1,0,0,0,0|2,0,1]=4 1203 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,1,0,0,0,0|2,0,1]=4 1204 B9R0.53 CC(=CC(C)OC(C)C)C 34a_100000717055_100000210206 [0,1,0,0,0,0|3,0,0]=4 1205 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,1,0,0,0,0|2,0,1]=4 1206 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,1,0,0,0,0|2,0,1]=4 1207 B9R0.53 CC(=O)NC(=O)CN(C)C 269982a_100102631434_100000183797 [0,1,0,0,0,0|2,0,1]=4 1208 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,1,0,0,0,0|1,0,0]=2 1209 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,1,0,0,0,0|1,0,0]=2 1210 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,1,0,0,0,0|1,0,0]=2 1211 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,1,0,0,0,0|1,0,0]=2 1212 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [0,1,0,0,0,0|2,0,0]=3 1213 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [0,1,0,0,0,0|2,0,0]=3 1214 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [0,1,0,0,0,0|2,0,0]=3 1215 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [0,1,0,0,0,0|1,0,0]=2 1216 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [0,1,0,0,0,0|1,0,0]=2 1217 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,1,0,0,0,0|2,0,1]=4 1218 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,1,0,0,0,0|2,0,1]=4 1219 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,1,0,0,0,0|2,0,1]=4 1220 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100000692259_100000210206 [0,1,0,0,0,0|2,0,1]=4 1221 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100138425928_100000731052 [0,1,0,0,0,0|2,0,1]=4 1222 B9R0.53 CC(C)CC(C)NC(C)C 34a_100138425928_100000731052 [0,1,0,0,0,0|2,0,1]=4 1223 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [0,1,0,0,0,0|1,0,1]=3 1224 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [0,1,0,0,0,0|1,0,1]=3 1225 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [0,1,0,0,0,0|1,0,1]=3 1226 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000210206_100000731052 [0,1,0,0,0,0|1,1,1]=4 1227 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000731052_100000210206 [0,1,0,0,0,0|1,1,1]=4 1228 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000739694_100000210760 [0,1,0,0,0,0|3,0,0]=4 1229 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000747067_100000747473 [0,1,0,0,0,0|3,0,0]=4 1230 B9R0.53 CC(C)CN(C)CC(=O)N 269982a_100000747067_100000187820 [0,1,0,0,0,0|3,0,0]=4 1231 B9R0.53 CC(C)CN(C)CC(=O)N 270004a_100000739694_100000210432 [0,1,0,0,0,0|3,0,0]=4 1232 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,1,0,0,0,0|3,0,0]=4 1233 B9R0.53 CC(C)CN(C)CC(=O)[O-] 269982a_100000747067_100020667443 [0,1,0,0,0,0|3,0,0]=4 1234 B9R0.56 C=C(C)CCNC(C)(C)C 2230a_100000715429_100000730704 [0,1,0,0,0,0|3,0,0]=4 1235 B9R0.56 C=C(C)CCOC(C)(C)C 34a_100000764851_100000210625 [0,1,0,0,0,0|3,0,0]=4 1236 B9R0.56 C=C(C)CCOC(C)(C)C 34a_100015890283_100000730704 [0,1,0,0,0,0|3,0,0]=4 1237 B9R0.56 C=C(C)CCOC(C)(C)C 7a_100015890283_100000730704 [0,1,0,0,0,0|3,0,0]=4 1238 B9R0.56 C=C(C)CCSC(C)(C)C 62a_100000211941_100000730704 [0,1,0,0,0,0|3,0,0]=4 1239 B9R0.56 C=C(C)CCSC(C)(C)C 62a_100000730704_100000211941 [0,1,0,0,0,0|3,0,0]=4 1240 B9R0.56 C=C(C)CNCC(C)(C)C 2230a_100000743828_100000748629 [0,1,0,0,0,0|3,0,0]=4 1241 B9R0.56 C=C(C)CNCC(C)(C)F 2230a_100020643315_100000748629 [0,1,0,0,0,0|3,0,0]=4 1242 B9R0.56 C=C(C)CNCC(C)(C)O 2230a_100000751335_100000748629 [0,1,0,0,0,0|3,0,0]=4 1243 B9R0.56 C=C(C)COCC(C)(C)C 34a_100000210245_100011219605 [0,1,0,0,0,0|3,0,0]=4 1244 B9R0.56 C=C(C)COCC(C)(C)F 34a_100000210245_100011997219 [0,1,0,0,0,0|3,0,0]=4 1245 B9R0.56 C=C(C)COCC(C)(C)F 34a_100000716592_100000748629 [0,1,0,0,0,0|3,0,0]=4 1246 B9R0.56 C=C(C)COCC(C)(C)O 34a_100000210245_100000764493 [0,1,0,0,0,0|3,0,0]=4 1247 B9R0.56 C=C(C)CSCC(C)(C)C 62a_100000748629_100011219605 [0,1,0,0,0,0|3,0,0]=4 1248 B9R0.56 C=C(C)CSCC(C)(C)C 62a_100011219605_100000211660 [0,1,0,0,0,0|3,0,0]=4 1249 B9R0.56 C=C(C)CSCC(C)(C)F 62a_100000748629_100011997219 [0,1,0,0,0,0|3,0,0]=4 1250 B9R0.56 C=C(C)CSCC(C)(C)F 62a_100011997219_100000211660 [0,1,0,0,0,0|3,0,0]=4 1251 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000748629_100000764493 [0,1,0,0,0,0|3,0,0]=4 1252 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000764493_100000211660 [0,1,0,0,0,0|3,0,0]=4 1253 B9R0.56 CC(=CCNC(C)(C)C)C 2230a_100000715429_100000761012 [0,1,0,0,0,0|3,0,0]=4 1254 B9R0.56 CC(=CCNC(C)(C)C)C 34a_100000718196_100000210625 [0,1,0,0,0,0|3,0,0]=4 1255 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100000753907_100000210625 [0,1,0,0,0,0|3,0,0]=4 1256 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100015890283_100000761012 [0,1,0,0,0,0|3,0,0]=4 1257 B9R0.56 CC(=CCOC(C)(C)C)C 7a_100015890283_100000761012 [0,1,0,0,0,0|3,0,0]=4 1258 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000211941_100000761012 [0,1,0,0,0,0|3,0,0]=4 1259 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000761012_100000211941 [0,1,0,0,0,0|3,0,0]=4 1260 B9R0.56 CC(=O)CCCC(F)(F)F 1458a_100000070787_100011216173 [0,1,0,0,0,0|3,0,0]=4 1261 B9R0.56 CC(=O)CCCC(F)(F)F 1458a_100000764234_200000210301 [0,1,0,0,0,0|3,0,0]=4 1262 B9R0.56 CC(=O)CCCS(=O)(=O)C 1458a_100000070787_100000754308 [0,1,0,0,0,0|3,0,0]=4 1263 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000070787_100016990835 [0,1,0,0,0,0|2,0,0]=3 1264 B9R0.56 CC(=O)CCC[N+](C)(C)C 1458a_100000085584_200000210301 [0,1,0,0,0,0|2,0,0]=3 1265 B9R0.56 CC(=O)CCC[Si](C)(C)C 1458a_100000070787_100011219597 [0,1,0,0,0,0|1,1,0]=3 1266 B9R0.56 CC(=O)CCOC(C)(C)C 34a_100000759926_100000210625 [0,1,0,0,0,0|2,0,0]=3 1267 B9R0.56 CC(=O)CCOC(C)(C)C 7a_100015890283_100000053229 [0,1,0,0,0,0|2,0,0]=3 1268 B9R0.56 CC(=O)CCOS(=O)(=O)C 1458a_100000070787_200000036756 [0,1,0,0,0,0|2,0,1]=4 1269 B9R0.56 CC(=O)CCO[Si](C)(C)C 1458a_100000070787_200000032530 [0,1,0,0,0,0|2,1,0]=4 1270 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000053229_100000211941 [0,1,0,0,0,0|2,0,0]=3 1271 B9R0.56 CC(=O)CCSC(C)(C)C 62a_100000211941_100000053229 [0,1,0,0,0,0|2,0,0]=3 1272 B9R0.56 CC(=O)COCC(C)(C)C 34a_100000211253_100011219605 [0,1,0,0,0,0|2,0,0]=3 1273 B9R0.56 CC(=O)COCC(C)(C)F 34a_100000211253_100011997219 [0,1,0,0,0,0|2,0,0]=3 1274 B9R0.56 CC(=O)COCC(C)(C)O 34a_100000211253_100000764493 [0,1,0,0,0,0|2,0,0]=3 1275 B9R0.56 CC(=O)NCCC(C)(C)C 11a_100000738805_100015343762 [0,1,0,0,0,0|1,0,0]=2 1276 B9R0.56 CC(=O)NCCC(C)(C)C 1626a_100000738805_100015343762 [0,1,0,0,0,0|1,0,0]=2 1277 B9R0.56 CC(=O)NCCC(C)(C)C 240690a_100000738805_100015343762 [0,1,0,0,0,0|1,0,0]=2 1278 B9R0.56 CC(=O)NCCC(C)(C)C 527a_100000738805_100103153847 [0,1,0,0,0,0|1,0,0]=2 1279 B9R0.56 CC(=O)NCCC(C)(C)F 11a_100016253952_100015343762 [0,1,0,0,0,0|1,0,0]=2 1280 B9R0.56 CC(=O)NCCC(C)(C)F 1626a_100016253952_100015343762 [0,1,0,0,0,0|1,0,0]=2 1281 B9R0.56 CC(=O)NCCC(C)(C)F 240690a_100016253952_100015343762 [0,1,0,0,0,0|1,0,0]=2 1282 B9R0.56 CC(=O)NCCC(C)(C)F 527a_100016253952_100103153847 [0,1,0,0,0,0|1,0,0]=2 1283 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [0,1,0,0,0,0|1,0,0]=2 1284 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [0,1,0,0,0,0|1,0,0]=2 1285 B9R0.56 CC(=O)NCCC(F)(F)F 11a_100000740434_100015343762 [0,1,0,0,0,0|3,0,0]=4 1286 B9R0.56 CC(=O)NCCC(F)(F)F 1626a_100000740434_100015343762 [0,1,0,0,0,0|3,0,0]=4 1287 B9R0.56 CC(=O)NCCC(F)(F)F 240690a_100000740434_100015343762 [0,1,0,0,0,0|3,0,0]=4 1288 B9R0.56 CC(=O)NCCC(F)(F)F 527a_100000740434_100103153847 [0,1,0,0,0,0|3,0,0]=4 1289 B9R0.56 CC(=O)NCCS(=O)(=O)C 11a_100000740961_100015343762 [0,1,0,0,0,0|3,0,0]=4 1290 B9R0.56 CC(=O)NCCS(=O)(=O)C 1626a_100000740961_100015343762 [0,1,0,0,0,0|3,0,0]=4 1291 B9R0.56 CC(=O)NCCS(=O)(=O)C 240690a_100000740961_100015343762 [0,1,0,0,0,0|3,0,0]=4 1292 B9R0.56 CC(=O)NCCS(=O)(=O)C 527a_100000740961_100103153847 [0,1,0,0,0,0|3,0,0]=4 1293 B9R0.56 CC(=O)NCC[N+](C)(C)C 1626a_100000106457_100015343762 [0,1,0,0,0,0|2,0,0]=3 1294 B9R0.56 CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100015343762 [0,1,0,0,0,0|2,0,0]=3 1295 B9R0.56 CC(=O)NCC[N+](C)(C)C 527a_100000106457_100103153847 [0,1,0,0,0,0|2,0,0]=3 1296 B9R0.56 CC(=O)OCOC(C)(C)C 34a_100015890283_100009813279 [0,1,0,0,0,0|1,0,0]=2 1297 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000076356_100000211941 [0,1,0,0,0,0|1,0,0]=2 1298 B9R0.56 CC(=O)OCSC(C)(C)C 62a_100000211941_100000076356 [0,1,0,0,0,0|1,0,0]=2 1299 B9R0.56 CC(=O)OCSC(F)(F)F 62a_100000076356_200103152311 [0,1,0,0,0,0|3,0,0]=4 1300 B9R0.56 CC(=O)OCSC(F)(F)F 62a_200000243211_100000076356 [0,1,0,0,0,0|3,0,0]=4 1301 B9R0.56 CC(Br)CCOC(C)(C)C 34a_100009893172_100000210625 [0,1,0,0,0,0|2,0,1]=4 1302 B9R0.56 CC(C)(C)CNCC(=O)N 2230a_100000743828_100000747473 [0,1,0,0,0,0|3,0,0]=4 1303 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [0,1,0,0,0,0|3,0,0]=4 1304 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100000747473_100011219605 [0,1,0,0,0,0|3,0,0]=4 1305 B9R0.56 CC(C)(C)CSCC(=O)N 62a_100011219605_100000747473 [0,1,0,0,0,0|3,0,0]=4 1306 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100011219605_100020667443 [0,1,0,0,0,0|3,0,0]=4 1307 B9R0.56 CC(C)(C)CSCC(=O)[O-] 62a_100020667443_100011219605 [0,1,0,0,0,0|3,0,0]=4 1308 B9R0.56 CC(C)(C)NCCC(=O)N 2230a_100000715429_100000744528 [0,1,0,0,0,0|3,0,0]=4 1309 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100000757172_100000210625 [0,1,0,0,0,0|3,0,0]=4 1310 B9R0.56 CC(C)(C)OCCC(=O)N 34a_100015890283_100000731001 [0,1,0,0,0,0|3,0,0]=4 1311 B9R0.56 CC(C)(C)OCCC(=O)N 7a_100015890283_100000744528 [0,1,0,0,0,0|3,0,0]=4 1312 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000211941_100000744528 [0,1,0,0,0,0|3,0,0]=4 1313 B9R0.56 CC(C)(C)SCCC(=O)N 62a_100000744528_100000211941 [0,1,0,0,0,0|3,0,0]=4 1314 B9R0.56 CC(C)(F)CNCC(=O)N 2230a_100020643315_100000747473 [0,1,0,0,0,0|3,0,0]=4 1315 B9R0.56 CC(C)(F)CNCC(=O)O 269956a_100016091260_100011997219 [0,1,0,0,0,0|3,0,0]=4 1316 B9R0.56 CC(C)(F)COCC(=O)N 34a_100000716592_100000187820 [0,1,0,0,0,0|3,0,0]=4 1317 B9R0.56 CC(C)(F)COCC(=O)[O-] 34a_100000716592_100020667443 [0,1,0,0,0,0|3,0,0]=4 1318 B9R0.56 CC(C)(F)CSCC(=O)N 62a_100000747473_100011997219 [0,1,0,0,0,0|3,0,0]=4 1319 B9R0.56 CC(C)(F)CSCC(=O)N 62a_100011997219_100000747473 [0,1,0,0,0,0|3,0,0]=4 1320 B9R0.56 CC(C)(F)CSCC(=O)[O-] 62a_100011997219_100020667443 [0,1,0,0,0,0|3,0,0]=4 1321 B9R0.56 CC(C)(F)CSCC(=O)[O-] 62a_100020667443_100011997219 [0,1,0,0,0,0|3,0,0]=4 1322 B9R0.56 CC(C)(O)CNCC(=O)N 2230a_100000751335_100000747473 [0,1,0,0,0,0|3,0,0]=4 1323 B9R0.56 CC(C)(O)CNCC(=O)O 269956a_100016091260_100000764493 [0,1,0,0,0,0|3,0,0]=4 1324 B9R0.56 CC(C)(O)CSCC(=O)N 62a_100000747473_100000764493 [0,1,0,0,0,0|3,0,0]=4 1325 B9R0.56 CC(C)(O)CSCC(=O)N 62a_100000764493_100000747473 [0,1,0,0,0,0|3,0,0]=4 1326 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100000764493_100020667443 [0,1,0,0,0,0|3,0,0]=4 1327 B9R0.56 CC(C)(O)CSCC(=O)[O-] 62a_100020667443_100000764493 [0,1,0,0,0,0|3,0,0]=4 1328 B9R0.56 CC(C)CCNC(C)(C)C 2230a_100000715429_100000210312 [0,1,0,0,0,0|2,0,1]=4 1329 B9R0.56 CC(C)CCNS(=O)(=O)C 40a_100000210545_100000738038 [0,1,0,0,0,0|2,0,0]=3 1330 B9R0.56 CC(C)CCOC(C)(C)C 34a_100000210254_100000210625 [0,1,0,0,0,0|1,0,1]=3 1331 B9R0.56 CC(C)CCOC(C)(C)C 34a_100015890283_100000210312 [0,1,0,0,0,0|1,0,1]=3 1332 B9R0.56 CC(C)CCOC(C)(C)C 7a_100015890283_100000210626 [0,1,0,0,0,0|1,0,1]=3 1333 B9R0.56 CC(C)CCOC(F)(F)F 34a_100000210254_200103152311 [0,1,0,0,0,0|2,0,1]=4 1334 B9R0.56 CC(C)CCOC(F)(F)F 7a_100000210254_200000243211 [0,1,0,0,0,0|2,0,1]=4 1335 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000210312_100000211941 [0,1,0,0,0,0|1,1,1]=4 1336 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000211941_100000210312 [0,1,0,0,0,0|1,1,1]=4 1337 B9R0.56 CC(C)CNNS(=O)(=O)C 40a_100000696102_100000738038 [0,1,0,0,0,0|3,0,0]=4 1338 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100000738805_100000210206 [0,1,0,0,0,0|2,0,1]=4 1339 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100138425928_100000755188 [0,1,0,0,0,0|2,0,1]=4 1340 B9R0.56 CC(C)NCCC(C)(C)C 34a_100138425928_100000755188 [0,1,0,0,0,0|2,0,1]=4 1341 B9R0.56 CC(C)NCCC(C)(C)F 2230a_100016253952_100000210206 [0,1,0,0,0,0|2,0,1]=4 1342 B9R0.56 CC(C)NCCC(C)(C)O 2230a_100138425928_100000702414 [0,1,0,0,0,0|2,0,1]=4 1343 B9R0.56 CC(C)NCCC(C)(C)O 34a_100138425928_100000702414 [0,1,0,0,0,0|2,0,1]=4 1344 B9R0.56 CC(C)NCCS(=O)(=O)C 2230a_100000740961_100000210206 [0,1,0,0,0,0|3,0,0]=4 1345 B9R0.56 CC(C)NCCS(=O)(=O)C 2230a_100138425928_100000731031 [0,1,0,0,0,0|3,0,0]=4 1346 B9R0.56 CC(C)NCCS(=O)(=O)C 34a_100000740961_100000210206 [0,1,0,0,0,0|3,0,0]=4 1347 B9R0.56 CC(C)NCCS(=O)(=O)C 34a_100138425928_100000731031 [0,1,0,0,0,0|3,0,0]=4 1348 B9R0.56 CC(C)OCCC(C)(C)C 34a_100000212225_100000755188 [0,1,0,0,0,0|1,0,1]=3 1349 B9R0.56 CC(C)OCCC(C)(C)C 7a_100000765024_100000210206 [0,1,0,0,0,0|1,0,1]=3 1350 B9R0.56 CC(C)OCCC(C)(C)O 34a_100000212225_100000702414 [0,1,0,0,0,0|1,0,1]=3 1351 B9R0.56 CC(C)OCCS(=O)(=O)C 34a_100000211924_100000210206 [0,1,0,0,0,0|3,0,0]=4 1352 B9R0.56 CC(C)OCCS(=O)(=O)C 34a_100000212225_100000731031 [0,1,0,0,0,0|3,0,0]=4 1353 B9R0.56 CC(C)OCCS(=O)(=O)C 7a_100000211924_100000210206 [0,1,0,0,0,0|3,0,0]=4 1354 B9R0.56 CC(C)OCC[N+](C)(C)C 34a_100000212225_100000085578 [0,1,0,0,0,0|2,0,1]=4 1355 B9R0.56 CC(C)OCC[N+](C)(C)C 7a_200020618287_100000210206 [0,1,0,0,0,0|2,0,1]=4 1356 B9R0.56 CC(C)OCC[Si](C)(C)C 34a_100000212225_200000733723 [0,1,0,0,0,0|1,1,1]=4 1357 B9R0.56 CC(C)OCC[Si](C)(C)C 7a_100000039746_100000210206 [0,1,0,0,0,0|1,1,1]=4 1358 B9R0.56 CC(C)OCNC(C)(C)C 2230a_100000715429_100000709892 [0,1,0,0,0,0|2,0,1]=4 1359 B9R0.56 CC(C)OCOC(C)(C)C 34a_100015890283_100000709892 [0,1,0,0,0,0|2,0,1]=4 1360 B9R0.56 CC(C)OCSC(C)(C)C 62a_100000211941_100000709892 [0,1,0,0,0,0|2,0,1]=4 1361 B9R0.56 CC(C)OCSC(C)(C)C 62a_100000709892_100000211941 [0,1,0,0,0,0|2,0,1]=4 1362 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000210206_100000755188 [0,1,0,0,0,0|1,1,1]=4 1363 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000755188_100000210206 [0,1,0,0,0,0|1,1,1]=4 1364 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000210206_100000702414 [0,1,0,0,0,0|1,1,1]=4 1365 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000702414_100000210206 [0,1,0,0,0,0|1,1,1]=4 1366 B9R0.56 CC(C)SCCS(=O)(=O)C 62a_100000210206_100000230027 [0,1,0,0,0,0|3,0,0]=4 1367 B9R0.56 CC(C)SCCS(=O)(=O)C 62a_100000731031_100000210206 [0,1,0,0,0,0|3,0,0]=4 1368 B9R0.56 CC(O)CCNS(=O)(=O)C 40a_200000755665_100000738038 [0,1,0,0,0,0|3,0,0]=4 1369 B9R0.56 CC(O)CCOC(C)(C)C 34a_100015890283_100012276601 [0,1,0,0,0,0|2,0,1]=4 1370 B9R0.56 CC(O)CCOC(C)(C)C 7a_100015890283_100012276601 [0,1,0,0,0,0|2,0,1]=4 1371 B9R0.56 CN(C)CCCC(C)(C)O 2230a_100102631434_100009888830 [0,1,0,0,0,0|3,0,0]=4 1372 B9R0.56 CN(C)CCCC(C)(C)O 269982a_100102631434_100009888830 [0,1,0,0,0,0|3,0,0]=4 1373 B9R0.56 CN(C)CCCS(=O)(=O)C 2230a_100102631434_100000754308 [0,1,0,0,0,0|3,0,0]=4 1374 B9R0.56 CN(C)CCCS(=O)(=O)C 269982a_100102631434_100000754308 [0,1,0,0,0,0|3,0,0]=4 1375 B9R0.56 CN(C)CCNS(=O)(=O)C 2230a_100102631434_100000754112 [0,1,0,0,0,0|3,0,0]=4 1376 B9R0.56 CN(C)CCNS(=O)(=O)C 269982a_100102631434_100000754112 [0,1,0,0,0,0|3,0,0]=4 1377 B9R0.56 CN(C)CCNS(=O)(=O)C 40a_100000210585_100000738038 [0,1,0,0,0,0|3,0,0]=4 1378 B9R0.56 CN(C)CCOC(C)(C)C 2230a_100000690421_200000210301 [0,1,0,0,0,0|2,0,1]=4 1379 B9R0.56 CN(C)CCOC(C)(C)C 269982a_100000690421_200000210301 [0,1,0,0,0,0|2,0,1]=4 1380 B9R0.56 CN(C)CCOC(C)(C)C 7a_100015890283_100000755713 [0,1,0,0,0,0|2,0,1]=4 1381 B9R0.56 CN(C)CCOS(=O)(=O)C 2230a_100102631434_200000036756 [0,1,0,0,0,0|2,0,0]=3 1382 B9R0.56 CN(C)CCOS(=O)(=O)C 269982a_100102631434_200000036756 [0,1,0,0,0,0|2,0,0]=3 1383 B9R0.56 CN(C)CCO[Si](C)(C)C 2230a_100102631434_200000032530 [0,1,0,0,0,0|2,1,0]=4 1384 B9R0.56 CN([13CH3])CCOC(C)(C)C 2230a_100000690421_200025704644 [0,1,0,0,0,0|2,0,1]=4 1385 B9R0.56 CN([13CH3])CCOC(C)(C)C 269982a_100000690421_200025704644 [0,1,0,0,0,0|2,0,1]=4 1386 B9R0.56 C[C@@H](N)CCOC(C)(C)C 34a_100000706166_100000210625 [0,1,0,0,0,0|2,0,1]=4 1387 B9R0.56 C[N+](C)(C)CCCC(=O)[13CH3] 1458a_100000085584_200025704644 [0,1,0,0,0,0|2,0,0]=3 1388 B9R0.56 [13CH3]C(=O)CCCC(F)(F)F 1458a_100000764234_200025704644 [0,1,0,0,0,0|3,0,0]=4 1389 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,1,0,0|2,0,0]=3 1390 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,0,0,1,0,0|2,0,0]=3 1391 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,0,0,1,0,0|2,0,1]=4 1392 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,0,0,1,0,0|2,0,0]=3 1393 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,0,0,1,0,0|2,0,0]=3 1394 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,0,0,1,0,0|2,0,0]=3 1395 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,0,0,1,0,0|2,0,0]=3 1396 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,0,0,1,0,0|2,0,0]=3 1397 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,0,0,1,0,0|2,0,0]=3 1398 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,0,0,1,0,0|1,0,0]=2 1399 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,0,0,1,0,0|1,0,0]=2 1400 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,0,0,1,0,0|1,0,0]=2 1401 B9R1.35 CC(C)N1CC[C@H](C1)C 2230a_100016987628_100000210206 [0,0,0,1,0,0|2,0,1]=4 1402 B9R1.35 CC(C)N1CC[C@H](C1)C 269982a_100016987628_100000210206 [0,0,0,1,0,0|2,0,1]=4 1403 B9R1.35 CC(C)N1CC[C@H](C1)C 34a_100016987628_100000210206 [0,0,0,1,0,0|2,0,1]=4 1404 B9R1.35 CC(C)N1CNC(=O)C1 2230a_200000708111_100000210206 [0,0,0,1,0,0|2,0,0]=3 1405 B9R1.35 CC1CCC(C1)N(C)C 270004a_100102631434_100011215218 [0,0,0,1,0,0|3,0,0]=4 1406 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [0,0,0,1,0,0|3,0,0]=4 1407 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [0,0,0,1,0,0|3,0,0]=4 1408 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [0,0,0,1,0,0|3,0,0]=4 1409 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,0,0,1,0,0|2,0,0]=3 1410 B9R1.35 Cc1nc(no1)C(C)C 270196a_100000210513_100000070787 [0,0,0,1,0,0|2,0,1]=4 1411 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,1,0,0|2,0,0]=3 1412 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,0,0,1,0,0|2,0,1]=4 1413 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [0,0,0,1,0,0|3,0,0]=4 1414 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [0,0,0,1,0,0|3,0,0]=4 1415 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [0,0,0,1,0,0|3,0,0]=4 1416 B9R1.46 CC(C)OCC1CC1C 34a_100000744939_100000210206 [0,0,0,1,0,0|1,0,1]=3 1417 B9R1.46 CC(C)OCC1CC1C 7a_100000744939_100000210206 [0,0,0,1,0,0|1,0,1]=3 1418 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,0,0,1,0,0|3,0,0]=4 1419 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,0,0,1,0,0|3,0,0]=4 1420 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,0,0,1,0,0|3,0,0]=4 1421 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,0,0,1,0,0|3,0,0]=4 1422 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,0,0,1,0,0|3,0,0]=4 1423 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,0,0,1,0,0|3,0,0]=4 1424 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,0,0,1,0,0|2,0,0]=3 1425 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,0,0,1,0,0|2,0,0]=3 1426 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,0,0,1,0,0|2,0,0]=3 1427 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,0,0,1,0,0|2,0,0]=3 1428 B9R1.53 C=C(C)CN1CC(C1)C 2230a_100000702820_100000748629 [0,0,0,1,0,0|3,0,0]=4 1429 B9R1.53 C=C(C)CN1CC(C1)C 269982a_100000702820_100000748629 [0,0,0,1,0,0|3,0,0]=4 1430 B9R1.53 C=C(C)CN1CC(C1)C 34a_100000702820_100000748629 [0,0,0,1,0,0|3,0,0]=4 1431 B9R1.53 C=C1CC(C1)NC(=O)C 11a_100132301982_100015343762 [0,0,0,1,0,0|1,0,2]=4 1432 B9R1.53 C=C1CC(C1)NC(=O)C 1626a_100132301982_100015343762 [0,0,0,1,0,0|1,0,2]=4 1433 B9R1.53 C=C1CC(C1)NC(=O)C 527a_100132301982_100103153847 [0,0,0,1,0,0|1,0,2]=4 1434 B9R1.53 C=C1CC(C1)NC(C)C 2230a_100132301982_100000210206 [0,0,0,1,0,0|3,0,0]=4 1435 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [0,0,0,1,0,0|2,0,1]=4 1436 B9R1.53 CC(=O)NC1CC(C1)F 11a_100016993743_100015343762 [0,0,0,1,0,0|2,0,0]=3 1437 B9R1.53 CC(=O)NC1CC(C1)F 1626a_100016993743_100015343762 [0,0,0,1,0,0|2,0,0]=3 1438 B9R1.53 CC(=O)NC1CC(C1)F 240690a_100016993743_100015343762 [0,0,0,1,0,0|2,0,0]=3 1439 B9R1.53 CC(=O)NC1CC(C1)F 527a_100016993743_100103153847 [0,0,0,1,0,0|2,0,0]=3 1440 B9R1.53 CC(=O)NC1CN(C1)C 240690a_100015196640_100015343762 [0,0,0,1,0,0|2,0,0]=3 1441 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100015343762 [0,0,0,1,0,0|2,0,0]=3 1442 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100015343762 [0,0,0,1,0,0|2,0,0]=3 1443 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100015343762 [0,0,0,1,0,0|2,0,0]=3 1444 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100103153847 [0,0,0,1,0,0|2,0,0]=3 1445 B9R1.53 CC(=O)OC1CN(C1)C 269982a_100016994906_200000210301 [0,0,0,1,0,0|1,0,0]=2 1446 B9R1.53 CC(=O)OC1CN(C1)[13CH3] 269982a_100016994906_200025704644 [0,0,0,1,0,0|1,0,0]=2 1447 B9R1.53 CC(C)CC1CN(C1)C 2230a_214813039686_200000210301 [0,0,0,1,0,0|3,0,0]=4 1448 B9R1.53 CC(C)CC1CN(C1)C 269982a_214813039686_200000210301 [0,0,0,1,0,0|3,0,0]=4 1449 B9R1.53 CC(C)CC1CN(C1)C 34a_214813039686_200000210301 [0,0,0,1,0,0|3,0,0]=4 1450 B9R1.53 CC(C)CC1CN(C1)[13CH3] 2230a_214813039686_200025704644 [0,0,0,1,0,0|3,0,0]=4 1451 B9R1.53 CC(C)CC1CN(C1)[13CH3] 269982a_214813039686_200025704644 [0,0,0,1,0,0|3,0,0]=4 1452 B9R1.53 CC(C)CC1CN(C1)[13CH3] 34a_214813039686_200025704644 [0,0,0,1,0,0|3,0,0]=4 1453 B9R1.53 CC(C)OC1CN(C1)C 2230a_100000698322_200000210301 [0,0,0,1,0,0|2,0,1]=4 1454 B9R1.53 CC(C)OC1CN(C1)C 269982a_100000698322_200000210301 [0,0,0,1,0,0|2,0,1]=4 1455 B9R1.53 CC(C)OC1CN(C1)C 34a_100000698322_200000210301 [0,0,0,1,0,0|2,0,1]=4 1456 B9R1.53 CC(C)OC1CN(C1)[13CH3] 2230a_100000698322_200025704644 [0,0,0,1,0,0|2,0,1]=4 1457 B9R1.53 CC(C)OC1CN(C1)[13CH3] 269982a_100000698322_200025704644 [0,0,0,1,0,0|2,0,1]=4 1458 B9R1.53 CC(C)OC1CN(C1)[13CH3] 34a_100000698322_200025704644 [0,0,0,1,0,0|2,0,1]=4 1459 B9R1.53 CC(C)SC1CC(=O)C1 62a_100009894365_100000210206 [0,0,0,1,0,0|2,0,0]=3 1460 B9R1.53 CC1CN(C1)CC(=O)N 2230a_100000702820_100000747473 [0,0,0,1,0,0|3,0,0]=4 1461 B9R1.53 CC1CN(C1)CC(=O)N 269982a_100000702820_100000187820 [0,0,0,1,0,0|3,0,0]=4 1462 B9R1.53 CC1CN(C1)CC(=O)N 34a_100000702820_100000187820 [0,0,0,1,0,0|3,0,0]=4 1463 B9R1.53 CC1CN(C1)CC(=O)[O-] 269982a_100000702820_100020667443 [0,0,0,1,0,0|3,0,0]=4 1464 B9R1.53 CC1CN(C1)CC(=O)[O-] 34a_100000702820_100020667443 [0,0,0,1,0,0|3,0,0]=4 1465 B9R1.53 CN(C)CC1CC(=O)C1 2230a_100102631434_100009874392 [0,0,0,1,0,0|2,0,0]=3 1466 B9R1.53 CN(C)CC1CC(=O)C1 269982a_100102631434_100009874392 [0,0,0,1,0,0|2,0,0]=3 1467 B9R1.53 CN1CC(C1)CC(=O)O 269956a_100016993960_200000210301 [0,0,0,1,0,0|3,0,0]=4 1468 B9R1.53 [13CH3]N1CC(C1)CC(=O)O 269956a_100016993960_200025704644 [0,0,0,1,0,0|3,0,0]=4 1469 B9R1.66 CC1(CCCN(C1)[13CH3])C 2230a_100000716857_200025704644 [0,0,0,1,0,0|3,0,0]=4 1470 B9R1.66 CC1(CCCN(C1)[13CH3])C 269982a_100000716857_200025704644 [0,0,0,1,0,0|3,0,0]=4 1471 B9R1.66 CC1(CCCN(C1)[13CH3])C 34a_100000716857_200025704644 [0,0,0,1,0,0|3,0,0]=4 1472 B9R1.66 CC1(CN(CCO1)[13CH3])C 2230a_100000738910_200025704644 [0,0,0,1,0,0|2,0,1]=4 1473 B9R1.66 CC1(CN(CCO1)[13CH3])C 269982a_100000738910_200025704644 [0,0,0,1,0,0|2,0,1]=4 1474 B9R1.66 CC1(CN(CCO1)[13CH3])C 34a_100000738910_200025704644 [0,0,0,1,0,0|2,0,1]=4 1475 B9R1.66 CN1CCCC(C1)(C)C 2230a_100000716857_200000210301 [0,0,0,1,0,0|3,0,0]=4 1476 B9R1.66 CN1CCCC(C1)(C)C 269982a_100000716857_200000210301 [0,0,0,1,0,0|3,0,0]=4 1477 B9R1.66 CN1CCCC(C1)(C)C 34a_100000716857_200000210301 [0,0,0,1,0,0|3,0,0]=4 1478 B9R1.66 CN1CCOC(C1)(C)C 2230a_100000738910_200000210301 [0,0,0,1,0,0|2,0,1]=4 1479 B9R1.66 CN1CCOC(C1)(C)C 269982a_100000738910_200000210301 [0,0,0,1,0,0|2,0,1]=4 1480 B9R1.66 CN1CCOC(C1)(C)C 34a_100000738910_200000210301 [0,0,0,1,0,0|2,0,1]=4 1481 B9R1.85 C=C(C)CCNC1CC1 34a_100000212008_100000730704 [0,0,0,1,0,0|3,0,0]=4 1482 B9R1.85 C=C(C)CCOC1CC1 34a_100000764851_100000211595 [0,0,0,1,0,0|3,0,0]=4 1483 B9R1.85 C=C(C)CCSC1CC1 62a_100000730704_100000211595 [0,0,0,1,0,0|3,0,0]=4 1484 B9R1.85 C=C(C)CNCC1CC1 2230a_100000735609_100000748629 [0,0,0,1,0,0|3,0,0]=4 1485 B9R1.85 C=C(C)CNCC1CC1 34a_100000735609_100000748629 [0,0,0,1,0,0|3,0,0]=4 1486 B9R1.85 C=C(C)COCC1CC1 34a_100000210245_100000742324 [0,0,0,1,0,0|3,0,0]=4 1487 B9R1.85 C=C(C)COCC1CC1 34a_100000211283_100000748629 [0,0,0,1,0,0|3,0,0]=4 1488 B9R1.85 C=C(C)CSCC1CC1 62a_100000748629_100000742324 [0,0,0,1,0,0|3,0,0]=4 1489 B9R1.85 C=C(C)CSCC1CC1 62a_100000756562_100000211660 [0,0,0,1,0,0|3,0,0]=4 1490 B9R1.85 CC(=CCNC1CC1)C 34a_100000212008_100000761012 [0,0,0,1,0,0|3,0,0]=4 1491 B9R1.85 CC(=CCNC1CC1)C 34a_100000718196_100000211595 [0,0,0,1,0,0|3,0,0]=4 1492 B9R1.85 CC(=CCOC1CC1)C 34a_100000753907_100000211595 [0,0,0,1,0,0|3,0,0]=4 1493 B9R1.85 CC(=CCSC1CC1)C 62a_100000761012_100000211595 [0,0,0,1,0,0|3,0,0]=4 1494 B9R1.85 CC(=O)CC#CC1CC1 1458a_100000070787_100009895102 [0,0,0,1,0,0|1,0,2]=4 1495 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,0,0,1,0,0|2,0,0]=3 1496 B9R1.85 CC(=O)CCOC1CC1 34a_100000759926_100000211595 [0,0,0,1,0,0|2,0,0]=3 1497 B9R1.85 CC(=O)CCSC1CC1 62a_100000053229_100000211595 [0,0,0,1,0,0|2,0,0]=3 1498 B9R1.85 CC(=O)COCC1CC1 34a_100000211253_100000742324 [0,0,0,1,0,0|2,0,0]=3 1499 B9R1.85 CC(=O)COCC1CO1 34a_100000211253_102125554688 [0,0,0,1,0,0|3,0,0]=4 1500 B9R1.85 CC(=O)CSCC1CC1 1458a_200011316215_200000210301 [0,0,0,1,0,0|2,0,0]=3 1501 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,0,0,1,0,0|1,0,0]=2 1502 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,0,0,1,0,0|1,0,0]=2 1503 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,0,0,1,0,0|1,0,0]=2 1504 B9R1.85 CC(=O)NN=CC1CC1 4a_100000189765_100000741477 [0,0,0,1,0,0|2,0,1]=4 1505 B9R1.85 CC(=O)NNCC1CC1 22a_100000736359_100000070787 [0,0,0,1,0,0|2,0,0]=3 1506 B9R1.85 CC(=O)OCNC1CC1 34a_100000212008_100009813279 [0,0,0,1,0,0|1,0,0]=2 1507 B9R1.85 CC(=O)OCSC1CC1 62a_100000076356_100000211595 [0,0,0,1,0,0|1,0,0]=2 1508 B9R1.85 CC(Br)CCOC1CC1 34a_100009893172_100000211595 [0,0,0,1,0,0|2,0,1]=4 1509 B9R1.85 CC(C)CCNC1CC1 34a_100000212008_100000210312 [0,0,0,1,0,0|2,0,1]=4 1510 B9R1.85 CC(C)CCOC1CC1 34a_100000210254_100000211595 [0,0,0,1,0,0|1,0,1]=3 1511 B9R1.85 CC(C)CCSC1CC1 62a_100000210312_100000211595 [0,0,0,1,0,0|1,1,1]=4 1512 B9R1.85 CC(C)NCCC1CC1 2230a_100138425928_100000694398 [0,0,0,1,0,0|2,0,1]=4 1513 B9R1.85 CC(C)NCCC1CC1 34a_100000764129_100000210206 [0,0,0,1,0,0|2,0,1]=4 1514 B9R1.85 CC(C)NCCC1CC1 34a_100138425928_100000694398 [0,0,0,1,0,0|2,0,1]=4 1515 B9R1.85 CC(C)OCCC1CC1 34a_100000212225_100000694398 [0,0,0,1,0,0|1,0,1]=3 1516 B9R1.85 CC(C)OCCC1CC1 34a_100000754188_100000210206 [0,0,0,1,0,0|1,0,1]=3 1517 B9R1.85 CC(C)OCCC1CC1 7a_100000754188_100000210206 [0,0,0,1,0,0|1,0,1]=3 1518 B9R1.85 CC(C)OCCC1CO1 34a_100000212225_100000732470 [0,0,0,1,0,0|2,0,1]=4 1519 B9R1.85 CC(C)OCC[C@@H]1CO1 34a_100009820653_100000210206 [0,0,0,1,0,0|2,0,1]=4 1520 B9R1.85 CC(C)OCNC1CC1 34a_100000212008_100000709892 [0,0,0,1,0,0|2,0,1]=4 1521 B9R1.85 CC(C)OCSC1CC1 62a_100000709892_100000211595 [0,0,0,1,0,0|2,0,1]=4 1522 B9R1.85 CC(C)SCCC1CC1 62a_100000210206_100000764125 [0,0,0,1,0,0|1,1,1]=4 1523 B9R1.85 CC(C)SCCC1CC1 62a_100000764125_100000210206 [0,0,0,1,0,0|1,1,1]=4 1524 B9R1.85 C[C@@H](N)CCOC1CC1 34a_100000706166_100000211595 [0,0,0,1,0,0|2,0,1]=4 1525 B9R1.85 NC(=O)CCNC1CC1 34a_100000212008_100000731001 [0,0,0,1,0,0|3,0,0]=4 1526 B9R1.85 NC(=O)CCOC1CC1 34a_100000757172_100000211595 [0,0,0,1,0,0|3,0,0]=4 1527 B9R1.85 NC(=O)CCSC1CC1 62a_100000744528_100000211595 [0,0,0,1,0,0|3,0,0]=4 1528 B9R1.85 NC(=O)CNCC1CC1 2230a_100000711301_100000742324 [0,0,0,1,0,0|3,0,0]=4 1529 B9R1.85 NC(=O)CNCC1CC1 2230a_100000735609_100000747473 [0,0,0,1,0,0|3,0,0]=4 1530 B9R1.85 NC(=O)CNCC1CC1 34a_100000735609_100000187820 [0,0,0,1,0,0|3,0,0]=4 1531 B9R1.85 NC(=O)COCC1CC1 34a_100000211283_100000187820 [0,0,0,1,0,0|3,0,0]=4 1532 B9R1.85 NC(=O)CSCC1CC1 62a_100000747473_100000742324 [0,0,0,1,0,0|3,0,0]=4 1533 B9R1.85 NC(=O)CSCC1CC1 62a_100000756562_100000747473 [0,0,0,1,0,0|3,0,0]=4 1534 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,0,0,1,0,0|3,0,0]=4 1535 B9R1.85 O=C([O-])CNCC1CC1 34a_100000735609_100020667443 [0,0,0,1,0,0|3,0,0]=4 1536 B9R1.85 O=C([O-])COCC1CC1 34a_100000211283_100020667443 [0,0,0,1,0,0|3,0,0]=4 1537 B9R1.85 O=C([O-])CSCC1CC1 62a_100000756562_100020667443 [0,0,0,1,0,0|3,0,0]=4 1538 B9R1.85 O=C([O-])CSCC1CC1 62a_100020667443_100000742324 [0,0,0,1,0,0|3,0,0]=4 1539 B9R1.85 [13CH3]C(=O)CSCC1CC1 1458a_200011316215_200025704644 [0,0,0,1,0,0|2,0,0]=3 1540 B9R1.170 CC(=O)CC1CC1(F)F 1458a_100000070787_100009817841 [0,0,0,1,0,0|3,0,0]=4 1541 B9R1.170 CC(=O)CC1CC1(F)F 1458a_100000138109_200000210301 [0,0,0,1,0,0|3,0,0]=4 1542 B9R1.170 CC(=O)NC1CC1(F)F 1626a_100020610826_100015343762 [0,0,0,1,0,0|3,0,0]=4 1543 B9R1.170 CC(=O)NC1CC1(F)F 240690a_100020610826_100015343762 [0,0,0,1,0,0|3,0,0]=4 1544 B9R1.170 CC(=O)NC1CC1(F)F 527a_100020610826_100103153847 [0,0,0,1,0,0|3,0,0]=4 1545 B9R1.170 [13CH3]C(=O)CC1CC1(F)F 1458a_100000138109_200025704644 [0,0,0,1,0,0|3,0,0]=4 1546 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,0,0,0,1,0|0,0,2]=3 1547 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,0,0,0,1,0|0,0,2]=3 1548 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,0,0,0,1,0|0,0,2]=3 1549 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,0,0,0,1,0|2,0,0]=3 1550 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,0,0,0,1,0|2,0,0]=3 1551 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,0,0,0,1,0|1,0,2]=4 1552 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,0,0,0,1,0|1,0,2]=4 1553 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,0,0,0,1,0|1,0,2]=4 1554 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,0,0,0,1,0|1,0,2]=4 1555 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,0,0,0,1,0|2,0,0]=3 1556 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,0,0,0,1,0|2,0,0]=3 1557 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,0,0,0,1,0|2,0,0]=3 1558 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,0,0,0,1,0|2,0,0]=3 1559 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,0,0,0,1,0|2,0,0]=3 1560 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,0,0,0,1,0|2,0,0]=3 1561 B7R0.6 C=C(F)CNC(C)C 2230a_100138425928_100009893438 [0,0,0,0,1,0|2,0,1]=4 1562 B7R0.6 C=C(F)CNC(C)C 34a_100138425928_100009893438 [0,0,0,0,1,0|2,0,1]=4 1563 B7R0.6 C=C(F)COC(C)C 34a_100000212225_100009893438 [0,0,0,0,1,0|2,0,1]=4 1564 B7R0.6 C=C(F)COC(C)C 34a_200010262243_100000210206 [0,0,0,0,1,0|2,0,1]=4 1565 B7R0.6 C=C(F)CSC(C)C 62a_100000042424_100000210206 [0,0,0,0,1,0|2,0,1]=4 1566 B7R0.6 C=C(F)CSC(C)C 62a_100000210206_100000042424 [0,0,0,0,1,0|2,0,1]=4 1567 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,0,0,1,0|0,0,2]=3 1568 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,0,0,0,1,0|2,0,1]=4 1569 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,0,0,0,1,0|2,0,1]=4 1570 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,0,0,0,1,0|0,0,2]=3 1571 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,0,0,1,0|0,0,2]=3 1572 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,0,0,1,0|0,0,2]=3 1573 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,0,0,1,0|2,0,1]=4 1574 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,0,0,1,0|0,0,0]=1 1575 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,0,0,1,0|0,0,0]=1 1576 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,0,0,0,1,0|1,0,0]=2 1577 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,0,0,0,1,0|1,0,0]=2 1578 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,0,0,0,1,0|3,0,0]=4 1579 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,0,0,0,1,0|1,0,0]=2 1580 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,0,0,0,1,0|2,0,1]=4 1581 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,0,0,0,1,0|1,0,1]=3 1582 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,0,0,1,0|1,0,0]=2 1583 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,0,0,1,0|1,0,0]=2 1584 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,0,0,0,1,0|3,0,0]=4 1585 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,0,0,0,1,0|1,1,1]=4 1586 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,0,0,1,0|1,0,0]=2 1587 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [0,0,0,0,1,0|3,0,0]=4 1588 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,0,0,0,1,0|2,0,1]=4 1589 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,1,0|1,0,0]=2 1590 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,1,0|1,0,0]=2 1591 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,1,0|1,0,0]=2 1592 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,1,0|1,0,0]=2 1593 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,0,0,1,0|2,0,0]=3 1594 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,0,0,1,0|2,0,0]=3 1595 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,0,0,1,0|2,0,0]=3 1596 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [0,0,0,0,1,0|3,0,0]=4 1597 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [0,0,0,0,1,0|3,0,0]=4 1598 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [0,0,0,0,1,0|3,0,0]=4 1599 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [0,0,0,0,1,0|3,0,0]=4 1600 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [0,0,0,0,1,0|2,0,0]=3 1601 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,0,0,0,1,0|1,0,1]=3 1602 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,0,0,0,1,0|1,0,0]=2 1603 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,0,0,0,1,0|1,1,1]=4 1604 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [0,0,0,0,1,0|2,0,1]=4 1605 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,0,0,0,1,0|0,0,2]=3 1606 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,0,0,1,0|0,0,0]=1 1607 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,0,0,0,1,0|2,0,0]=3 1608 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,0,0,0,1,0|2,0,0]=3 1609 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,0,0,0,1,0|2,0,0]=3 1610 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,0,0,0,1,0|2,0,0]=3 1611 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,0,0,0,1,0|2,0,0]=3 1612 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,0,0,0,1,0|2,0,0]=3 1613 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [0,0,0,0,1,0|2,0,1]=4 1614 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [0,0,0,0,1,0|2,0,1]=4 1615 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [0,0,0,0,1,0|2,0,1]=4 1616 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [0,0,0,0,1,0|2,0,1]=4 1617 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [0,0,0,0,1,0|1,0,1]=3 1618 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [0,0,0,0,1,0|1,0,1]=3 1619 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [0,0,0,0,1,0|1,1,1]=4 1620 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [0,0,0,0,1,0|1,1,1]=4 1621 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,0,0,0,1,0|2,0,0]=3 1622 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,0,0,0,1,0|2,0,0]=3 1623 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,0,0,0,1,0|2,0,0]=3 1624 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,0,0,0,1,0|2,0,0]=3 1625 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,0,0,0,1,0|2,0,0]=3 1626 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,0,0,0,1,0|1,0,2]=4 1627 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,0,0,0,1,0|1,0,2]=4 1628 B7R0.6 CC(C)NC[N+](=O)[O-] 34a_100138425928_100000761209 [0,0,0,0,1,0|3,0,0]=4 1629 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,0,0,0,1,0|2,0,0]=3 1630 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,0,0,1,0|1,0,0]=2 1631 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,0,0,0,1,0|2,0,0]=3 1632 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [0,0,0,0,1,0|2,0,1]=4 1633 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [0,0,0,0,1,0|2,0,1]=4 1634 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [0,0,0,0,1,0|2,0,1]=4 1635 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [0,0,0,0,1,0|2,0,1]=4 1636 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,0,0,0,1,0|1,0,2]=4 1637 B7R0.6 CC(C)OC[N+](=O)[O-] 34a_100000212225_100000761209 [0,0,0,0,1,0|3,0,0]=4 1638 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,0,0,0,1,0|2,0,0]=3 1639 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,0,0,0,1,0|2,0,0]=3 1640 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,0,0,1,0|1,0,0]=2 1641 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,0,0,0,1,0|2,0,0]=3 1642 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,0,0,0,1,0|2,0,0]=3 1643 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,0,0,0,1,0|1,0,2]=4 1644 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,0,0,0,1,0|1,0,2]=4 1645 B7R0.6 CC(C)SC[N+](=O)[O-] 62a_100000210206_100000761209 [0,0,0,0,1,0|3,0,0]=4 1646 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [0,0,0,0,1,0|2,0,1]=4 1647 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,0,0,0,1,0|1,0,2]=4 1648 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,0,0,0,1,0|1,0,2]=4 1649 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,0,0,0,1,0|1,0,2]=4 1650 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,0,0,0,1,0|1,0,2]=4 1651 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,0,0,0,1,0|1,0,2]=4 1652 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,0,0,0,1,0|1,0,2]=4 1653 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,0,0,0,1,0|1,0,2]=4 1654 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,0,0,0,1,0|1,0,2]=4 1655 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,0,0,0,1,0|1,0,2]=4 1656 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,0,0,0,1,0|2,0,0]=3 1657 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,0,0,0,1,0|2,0,0]=3 1658 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,0,0,0,1,0|2,0,0]=3 1659 B7R0.6 CN(C)CCN(C)C 269982a_100000225618_200000210301 [0,0,0,0,1,0|3,0,0]=4 1660 B7R0.6 CN(C)CCN(C)C 269982a_100102631434_100000755713 [0,0,0,0,1,0|3,0,0]=4 1661 B7R0.6 CN(C)CCN(C)[13CH3] 269982a_100000225618_200025704644 [0,0,0,0,1,0|3,0,0]=4 1662 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,0,0,0,1,0|2,0,0]=3 1663 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,0,0,0,1,0|1,0,0]=2 1664 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,0,0,1,0|2,0,1]=4 1665 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,0,0,0,1,0|3,0,0]=4 1666 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,0,0,0,1,0|3,0,0]=4 1667 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [0,0,0,0,1,0|3,0,0]=4 1668 B9R0.55 C=C(Br)CCOCC(C)C 34a_100009813270_100000210624 [0,0,0,0,0,1|2,0,1]=4 1669 B9R0.55 C=C(C)CCNCC(C)C 2230a_100000210953_100000730704 [0,0,0,0,0,1|2,0,0]=3 1670 B9R0.55 C=C(C)CCNCC(C)C 34a_100000210953_100000730704 [0,0,0,0,0,1|2,0,0]=3 1671 B9R0.55 C=C(C)CCNCC(C)O 2230a_100000210904_100000730704 [0,0,0,0,0,1|3,0,0]=4 1672 B9R0.55 C=C(C)CCNCC(C)O 34a_100000210904_100000730704 [0,0,0,0,0,1|3,0,0]=4 1673 B9R0.55 C=C(C)CCOCC(=C)C 34a_100000210245_100000730704 [0,0,0,0,0,1|1,0,2]=4 1674 B9R0.55 C=C(C)CCOCC(=C)C 34a_100000764851_100000748629 [0,0,0,0,0,1|1,0,2]=4 1675 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [0,0,0,0,0,1|0,0,2]=3 1676 B9R0.55 C=C(C)CCOCC(=O)N 34a_100000764851_100000187820 [0,0,0,0,0,1|1,0,2]=4 1677 B9R0.55 C=C(C)CCOCC(=O)[O-] 34a_100000764851_100020667443 [0,0,0,0,0,1|1,0,2]=4 1678 B9R0.55 C=C(C)CCOCC(C)Br 34a_100012180447_100000730704 [0,0,0,0,0,1|3,0,0]=4 1679 B9R0.55 C=C(C)CCOCC(C)C 34a_100000210257_100000730704 [0,0,0,0,0,1|2,0,0]=3 1680 B9R0.55 C=C(C)CCOCC(C)C 34a_100000764851_100000210624 [0,0,0,0,0,1|2,0,0]=3 1681 B9R0.55 C=C(C)CCOCC(C)F 34a_100015925927_100000730704 [0,0,0,0,0,1|3,0,0]=4 1682 B9R0.55 C=C(C)CCOCC(C)O 34a_100000764851_100011218427 [0,0,0,0,0,1|3,0,0]=4 1683 B9R0.55 C=C(C)CCOC[C@@H](C)Cl 34a_100016084084_100000730704 [0,0,0,0,0,1|3,0,0]=4 1684 B9R0.55 C=C(C)CCOC[C@@H](C)N 34a_100000737577_100000730704 [0,0,0,0,0,1|3,0,0]=4 1685 B9R0.55 C=C(C)CCOC[C@@H](C)O 34a_100000764851_100009817552 [0,0,0,0,0,1|3,0,0]=4 1686 B9R0.55 C=C(C)CCSCC(C)C 62a_100000210624_100000730704 [0,0,0,0,0,1|2,0,0]=3 1687 B9R0.55 C=C(C)CCSCC(C)C 62a_100000730704_100000210760 [0,0,0,0,0,1|2,0,0]=3 1688 B9R0.55 C=C(C)CCSCC(C)O 62a_100000730704_100011218427 [0,0,0,0,0,1|3,0,0]=4 1689 B9R0.55 C=C(C)CCSCC(C)O 62a_100011218427_100000730704 [0,0,0,0,0,1|3,0,0]=4 1690 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100000730704_100009817552 [0,0,0,0,0,1|3,0,0]=4 1691 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100009817552_100000730704 [0,0,0,0,0,1|3,0,0]=4 1692 B9R0.55 C=C(C)CNCCC(C)O 2230a_200000755665_100000748629 [0,0,0,0,0,1|3,0,0]=4 1693 B9R0.55 C=C(C)COCC=C(C)C 34a_100000210245_100000761012 [0,0,0,0,0,1|1,0,2]=4 1694 B9R0.55 C=C(C)COCC=C(C)C 34a_100000753907_100000748629 [0,0,0,0,0,1|1,0,2]=4 1695 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [0,0,0,0,0,1|1,0,2]=4 1696 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [0,0,0,0,0,1|1,0,2]=4 1697 B9R0.55 C=C(C)COCCC(C)Br 34a_100009893172_100000748629 [0,0,0,0,0,1|2,0,0]=3 1698 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [0,0,0,0,0,1|1,0,0]=2 1699 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [0,0,0,0,0,1|1,0,0]=2 1700 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [0,0,0,0,0,1|1,0,0]=2 1701 B9R0.55 C=C(C)COCCC(C)O 34a_100000210245_100012276601 [0,0,0,0,0,1|2,0,0]=3 1702 B9R0.55 C=C(C)COCCC(F)F 34a_100103093639_100000748629 [0,0,0,0,0,1|3,0,0]=4 1703 B9R0.55 C=C(C)COCC[C@@H](C)N 34a_100000706166_100000748629 [0,0,0,0,0,1|2,0,0]=3 1704 B9R0.55 C=C(C)COCOC(=O)C 34a_100000210245_100009813279 [0,0,0,0,0,1|0,0,2]=3 1705 B9R0.55 C=C(C)COCOC(C)C 34a_100000210245_100000709892 [0,0,0,0,0,1|2,0,0]=3 1706 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [0,0,0,0,0,1|1,0,2]=4 1707 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [0,0,0,0,0,1|1,0,2]=4 1708 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [0,0,0,0,0,1|1,1,0]=3 1709 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [0,0,0,0,0,1|1,1,0]=3 1710 B9R0.55 C=C(C)CSCCC(C)O 62a_100000748629_100012276601 [0,0,0,0,0,1|2,1,0]=4 1711 B9R0.55 C=C(C)CSCCC(C)O 62a_100012276601_100000211660 [0,0,0,0,0,1|2,1,0]=4 1712 B9R0.55 C=C(C)CSCCN(C)C 62a_100000748629_100000755713 [0,0,0,0,0,1|2,1,0]=4 1713 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000076356_100000211660 [0,0,0,0,0,1|0,0,2]=3 1714 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000748629_100000076356 [0,0,0,0,0,1|0,0,2]=3 1715 B9R0.55 C=C(C)CSCOC(C)C 62a_100000709892_100000211660 [0,0,0,0,0,1|2,1,0]=4 1716 B9R0.55 C=C(C)CSCOC(C)C 62a_100000748629_100000709892 [0,0,0,0,0,1|2,1,0]=4 1717 B9R0.55 C=C(F)COCCC(C)Br 34a_100009893172_100009893438 [0,0,0,0,0,1|2,0,1]=4 1718 B9R0.55 C=C(F)COCCC(C)C 34a_100000210254_100009893438 [0,0,0,0,0,1|1,0,1]=3 1719 B9R0.55 C=C(F)COCCC(C)C 34a_200010262243_100000210312 [0,0,0,0,0,1|1,0,1]=3 1720 B9R0.55 C=C(F)COCCC(C)C 7a_100000210254_100000042424 [0,0,0,0,0,1|1,0,1]=3 1721 B9R0.55 C=C(F)COCCC(C)O 34a_200010262243_100012276601 [0,0,0,0,0,1|2,0,1]=4 1722 B9R0.55 C=C(F)COCC[C@@H](C)N 34a_100000706166_100009893438 [0,0,0,0,0,1|2,0,1]=4 1723 B9R0.55 C=C(F)COCOC(=O)C 34a_200010262243_100009813279 [0,0,0,0,0,1|1,0,2]=4 1724 B9R0.55 C=C(F)COCOC(C)C 34a_200010262243_100000709892 [0,0,0,0,0,1|2,0,1]=4 1725 B9R0.55 C=C(F)CSCCC(C)C 62a_100000042424_100000210312 [0,0,0,0,0,1|1,1,1]=4 1726 B9R0.55 C=C(F)CSCCC(C)C 62a_100000210312_100000042424 [0,0,0,0,0,1|1,1,1]=4 1727 B9R0.55 C=C(F)CSCOC(=O)C 62a_100000042424_100000076356 [0,0,0,0,0,1|1,0,2]=4 1728 B9R0.55 C=C(F)CSCOC(=O)C 62a_100000076356_100000042424 [0,0,0,0,0,1|1,0,2]=4 1729 B9R0.55 CC(=CCCNC(C)C)C 2230a_100138425928_100011217483 [0,0,0,0,0,1|2,0,0]=3 1730 B9R0.55 CC(=CCCNC(C)C)C 34a_100138425928_100011217483 [0,0,0,0,0,1|2,0,0]=3 1731 B9R0.55 CC(=CCCOC(C)C)C 34a_100000212225_100011217483 [0,0,0,0,0,1|2,0,0]=3 1732 B9R0.55 CC(=CCCSC(C)C)C 62a_100000210206_100011217483 [0,0,0,0,0,1|2,0,0]=3 1733 B9R0.55 CC(=CCCSC(C)C)C 62a_100011217483_100000210206 [0,0,0,0,0,1|2,0,0]=3 1734 B9R0.55 CC(=CCNCC(C)C)C 2230a_100000210953_100000761012 [0,0,0,0,0,1|2,0,0]=3 1735 B9R0.55 CC(=CCNCC(C)C)C 270004a_100000718196_100000210432 [0,0,0,0,0,1|2,0,0]=3 1736 B9R0.55 CC(=CCNCC(C)C)C 34a_100000210953_100000761012 [0,0,0,0,0,1|2,0,0]=3 1737 B9R0.55 CC(=CCNCC(C)C)C 34a_100000718196_100000210624 [0,0,0,0,0,1|2,0,0]=3 1738 B9R0.55 CC(=CCNCC(C)O)C 2230a_100000210904_100000761012 [0,0,0,0,0,1|3,0,0]=4 1739 B9R0.55 CC(=CCNCC(C)O)C 34a_100000210904_100000761012 [0,0,0,0,0,1|3,0,0]=4 1740 B9R0.55 CC(=CCNCC(C)O)C 34a_100000718196_100011218427 [0,0,0,0,0,1|3,0,0]=4 1741 B9R0.55 CC(=CCNC[C@@H](C)O)C 34a_100000718196_100009817552 [0,0,0,0,0,1|3,0,0]=4 1742 B9R0.55 CC(=CCOCC(=O)N)C 34a_100000753907_100000187820 [0,0,0,0,0,1|1,0,2]=4 1743 B9R0.55 CC(=CCOCC(=O)[O-])C 34a_100000753907_100020667443 [0,0,0,0,0,1|1,0,2]=4 1744 B9R0.55 CC(=CCOCC(C)Br)C 34a_100012180447_100000761012 [0,0,0,0,0,1|3,0,0]=4 1745 B9R0.55 CC(=CCOCC(C)C)C 34a_100000210257_100000761012 [0,0,0,0,0,1|2,0,0]=3 1746 B9R0.55 CC(=CCOCC(C)C)C 34a_100000753907_100000210624 [0,0,0,0,0,1|2,0,0]=3 1747 B9R0.55 CC(=CCOCC(C)F)C 34a_100015925927_100000761012 [0,0,0,0,0,1|3,0,0]=4 1748 B9R0.55 CC(=CCOCC(C)O)C 34a_100000753907_100011218427 [0,0,0,0,0,1|3,0,0]=4 1749 B9R0.55 CC(=CCOC[C@@H](C)Cl)C 34a_100016084084_100000761012 [0,0,0,0,0,1|3,0,0]=4 1750 B9R0.55 CC(=CCOC[C@@H](C)N)C 34a_100000737577_100000761012 [0,0,0,0,0,1|3,0,0]=4 1751 B9R0.55 CC(=CCOC[C@@H](C)O)C 34a_100000753907_100009817552 [0,0,0,0,0,1|3,0,0]=4 1752 B9R0.55 CC(=CCSCC(C)C)C 62a_100000210624_100000761012 [0,0,0,0,0,1|2,0,0]=3 1753 B9R0.55 CC(=CCSCC(C)C)C 62a_100000761012_100000210760 [0,0,0,0,0,1|2,0,0]=3 1754 B9R0.55 CC(=CCSCC(C)O)C 62a_100000761012_100011218427 [0,0,0,0,0,1|3,0,0]=4 1755 B9R0.55 CC(=CCSCC(C)O)C 62a_100011218427_100000761012 [0,0,0,0,0,1|3,0,0]=4 1756 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100000761012_100009817552 [0,0,0,0,0,1|3,0,0]=4 1757 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100009817552_100000761012 [0,0,0,0,0,1|3,0,0]=4 1758 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,0,0,0,0,1|2,0,1]=4 1759 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,0,0,0,0,1|1,0,0]=2 1760 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,0,0,0,0,1|1,0,0]=2 1761 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,0,0,0,0,1|2,0,0]=3 1762 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,0,0,0,0,1|2,0,1]=4 1763 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,0,0,0,0,1|1,0,0]=2 1764 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,0,0,0,0,1|1,0,1]=3 1765 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [0,0,0,0,0,1|1,1,1]=4 1766 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,0,0,0,0,1|1,0,0]=2 1767 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,0,0,0,0,1|1,0,0]=2 1768 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,0,0,0,0,1|1,0,0]=2 1769 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,0,0,0,0,1|1,1,1]=4 1770 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,0,0,0,0,1|1,0,0]=2 1771 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,0,0,0,0,1|1,0,0]=2 1772 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,0,0,0,0,1|2,0,1]=4 1773 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,0,0,0,0,1|2,0,1]=4 1774 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,0,0,0,0,1|2,0,1]=4 1775 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,0,0,0,0,1|2,0,1]=4 1776 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,0,0,0,0,1|1,0,0]=2 1777 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,0,0,0,0,1|1,0,0]=2 1778 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,0,0,0,0,1|2,0,0]=3 1779 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,0,0,0,0,1|2,0,0]=3 1780 B9R0.55 CC(=O)CCOCC(F)F 1458a_100000070787_200012177212 [0,0,0,0,0,1|3,0,0]=4 1781 B9R0.55 CC(=O)CCOCC(F)F 34a_100000759926_100011934356 [0,0,0,0,0,1|3,0,0]=4 1782 B9R0.55 CC(=O)CCOCC(F)F 7a_100000759926_100011934356 [0,0,0,0,0,1|3,0,0]=4 1783 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,0,0,0,0,1|2,0,0]=3 1784 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,0,0,0,0,1|2,0,0]=3 1785 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,0,0,0,0,1|1,0,0]=2 1786 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,0,0,0,0,1|1,0,0]=2 1787 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,0,0,0,0,1|2,0,0]=3 1788 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,0,0,0,0,1|2,0,0]=3 1789 B9R0.55 CC(=O)CCSCC(F)F 62a_100000053229_100011934356 [0,0,0,0,0,1|3,0,0]=4 1790 B9R0.55 CC(=O)CCSCC(F)F 62a_100011934356_100000053229 [0,0,0,0,0,1|3,0,0]=4 1791 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,0,0,0,0,1|2,0,0]=3 1792 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,0,0,0,0,1|2,0,0]=3 1793 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [0,0,0,0,0,1|0,0,2]=3 1794 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [0,0,0,0,0,1|2,0,1]=4 1795 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,0,0,0,0,1|0,0,0]=1 1796 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,0,0,0,0,1|1,0,0]=2 1797 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [0,0,0,0,0,1|1,0,1]=3 1798 B9R0.55 CC(=O)COCOC(C)C 34a_100000211253_100000709892 [0,0,0,0,0,1|1,0,0]=2 1799 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,0,0,0,0,1|2,0,1]=4 1800 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,0,0,0,0,1|1,0,0]=2 1801 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,0,0,0,0,1|1,0,0]=2 1802 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,0,0,0,0,1|1,0,0]=2 1803 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,0,0,0,0,1|1,0,0]=2 1804 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [0,0,0,0,0,1|2,0,0]=3 1805 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [0,0,0,0,0,1|2,0,0]=3 1806 B9R0.55 CC(=O)NCCCS(=O)C 11a_200000753449_100015343762 [0,0,0,0,0,1|3,0,0]=4 1807 B9R0.55 CC(=O)NCCCS(=O)C 240690a_200000753449_100015343762 [0,0,0,0,0,1|3,0,0]=4 1808 B9R0.55 CC(=O)NCCCS(=O)C 527a_200000753449_100103153847 [0,0,0,0,0,1|3,0,0]=4 1809 B9R0.55 CC(=O)NCCNC(=O)C 240690a_100000209853_100015343762 [0,0,0,0,0,1|2,0,1]=4 1810 B9R0.55 CC(=O)NCCNC(=O)C 527a_100000209853_100103153847 [0,0,0,0,0,1|2,0,1]=4 1811 B9R0.55 CC(=O)NCCNC(C)C 2230a_100000209853_100000210206 [0,0,0,0,0,1|1,0,0]=2 1812 B9R0.55 CC(=O)NCCNC(C)C 2230a_100138425928_100000189650 [0,0,0,0,0,1|1,0,0]=2 1813 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [0,0,0,0,0,1|1,0,1]=3 1814 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [0,0,0,0,0,1|1,0,1]=3 1815 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [0,0,0,0,0,1|1,0,1]=3 1816 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [0,0,0,0,0,1|1,0,0]=2 1817 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [0,0,0,0,0,1|1,0,0]=2 1818 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [0,0,0,0,0,1|1,0,0]=2 1819 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [0,0,0,0,0,1|1,0,0]=2 1820 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [0,0,0,0,0,1|1,0,0]=2 1821 B9R0.55 CC(=O)NCCSC(=O)C 11a_100020647217_100015343762 [0,0,0,0,0,1|1,1,1]=4 1822 B9R0.55 CC(=O)NCCSC(=O)C 240690a_100020647217_100015343762 [0,0,0,0,0,1|1,1,1]=4 1823 B9R0.55 CC(=O)NCCSC(=O)C 527a_100020647217_100103153847 [0,0,0,0,0,1|1,1,1]=4 1824 B9R0.55 CC(=O)NCCSC(C)C 11a_100000731138_100015343762 [0,0,0,0,0,1|1,0,0]=2 1825 B9R0.55 CC(=O)NCCSC(C)C 1626a_100000731138_100015343762 [0,0,0,0,0,1|1,0,0]=2 1826 B9R0.55 CC(=O)NCCSC(C)C 240690a_100000731138_100015343762 [0,0,0,0,0,1|1,0,0]=2 1827 B9R0.55 CC(=O)NCCSC(C)C 527a_100000731138_100103153847 [0,0,0,0,0,1|1,0,0]=2 1828 B9R0.55 CC(=O)NCCSC(C)C 62a_100000189650_100000210206 [0,0,0,0,0,1|1,0,0]=2 1829 B9R0.55 CC(=O)NCCSC(C)C 62a_100000210206_100000189650 [0,0,0,0,0,1|1,0,0]=2 1830 B9R0.55 CC(=O)NN=CCC(C)C 4a_100000189765_100000185833 [0,0,0,0,0,1|1,0,1]=3 1831 B9R0.55 CC(=O)NNCCN(C)C 22a_100000738145_100000070787 [0,0,0,0,0,1|2,0,0]=3 1832 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,0,0,0,0,1|1,0,0]=2 1833 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [0,0,0,0,0,1|0,0,0]=1 1834 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [0,0,0,0,0,1|0,0,0]=1 1835 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [0,0,0,0,0,1|0,0,0]=1 1836 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [0,0,0,0,0,1|0,0,0]=1 1837 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,0,0,0,0,1|2,0,1]=4 1838 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [0,0,0,0,0,1|0,0,0]=1 1839 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,0,0,0,0,1|1,0,0]=2 1840 B9R0.55 CC(=O)OCNCC(F)F 34a_100000765723_100009813279 [0,0,0,0,0,1|2,0,0]=3 1841 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [0,0,0,0,0,1|1,0,0]=2 1842 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [0,0,0,0,0,1|0,0,0]=1 1843 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [0,0,0,0,0,1|1,0,0]=2 1844 B9R0.55 CC(=O)OCOCC(F)F 34a_100000743014_100009813279 [0,0,0,0,0,1|2,0,0]=3 1845 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [0,0,0,0,0,1|1,0,0]=2 1846 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [0,0,0,0,0,1|1,0,0]=2 1847 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000076356_100000747473 [0,0,0,0,0,1|2,0,1]=4 1848 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000747473_100000076356 [0,0,0,0,0,1|2,0,1]=4 1849 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100000076356_100020667443 [0,0,0,0,0,1|2,0,1]=4 1850 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100020667443_100000076356 [0,0,0,0,0,1|2,0,1]=4 1851 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [0,0,0,0,0,1|0,0,0]=1 1852 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [0,0,0,0,0,1|0,0,0]=1 1853 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [0,0,0,0,0,1|1,0,0]=2 1854 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [0,0,0,0,0,1|1,0,0]=2 1855 B9R0.55 CC(=O)OCSCC(F)F 62a_100000076356_100011934356 [0,0,0,0,0,1|2,0,0]=3 1856 B9R0.55 CC(=O)OCSCC(F)F 62a_100011934356_100000076356 [0,0,0,0,0,1|2,0,0]=3 1857 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [0,0,0,0,0,1|1,0,0]=2 1858 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [0,0,0,0,0,1|1,0,0]=2 1859 B9R0.55 CC(=O)OCSC[N+](=O)[O-] 62a_100000076356_100000761209 [0,0,0,0,0,1|3,0,0]=4 1860 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [0,0,0,0,0,1|1,1,0]=3 1861 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [0,0,0,0,0,1|1,1,0]=3 1862 B9R0.55 CC(=S)OCCCN(C)C 2230a_100102631434_200135323944 [0,0,0,0,0,1|1,1,0]=3 1863 B9R0.55 CC(=S)OCCCN(C)C 269982a_100102631434_200135323944 [0,0,0,0,0,1|1,1,0]=3 1864 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [0,0,0,0,0,1|2,0,0]=3 1865 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [0,0,0,0,0,1|2,0,0]=3 1866 B9R0.55 CC(Br)CCOC[C@@H](C)O 34a_100009893172_100009817552 [0,0,0,0,0,1|1,0,2]=4 1867 B9R0.55 CC(Br)CCOC[N+](=O)[O-] 34a_100009893172_100000761209 [0,0,0,0,0,1|3,0,0]=4 1868 B9R0.55 CC(Br)COCCC(=O)N 34a_100012180447_100000731001 [0,0,0,0,0,1|3,0,0]=4 1869 B9R0.55 CC(Br)COCOC(C)C 34a_100012180447_100000709892 [0,0,0,0,0,1|2,0,1]=4 1870 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,0,0,0,0,1|1,0,0]=2 1871 B9R0.55 CC(C)CCCCN(C)C 2230a_100102631434_100011216152 [0,0,0,0,0,1|3,0,0]=4 1872 B9R0.55 CC(C)CCCCN(C)C 269982a_100102631434_100011216152 [0,0,0,0,0,1|3,0,0]=4 1873 B9R0.55 CC(C)CCCNC(C)C 2230a_100138425928_100011214892 [0,0,0,0,0,1|2,0,1]=4 1874 B9R0.55 CC(C)CCCNC(C)C 2230a_200000737386_100000210206 [0,0,0,0,0,1|2,0,1]=4 1875 B9R0.55 CC(C)CCCNC(C)C 34a_100138425928_100011214892 [0,0,0,0,0,1|2,0,1]=4 1876 B9R0.55 CC(C)CCCNC(C)C 34a_200000737386_100000210206 [0,0,0,0,0,1|2,0,1]=4 1877 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [0,0,0,0,0,1|1,0,1]=3 1878 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [0,0,0,0,0,1|1,0,1]=3 1879 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [0,0,0,0,0,1|1,0,1]=3 1880 B9R0.55 CC(C)CCCSC(C)C 62a_100000210206_100011214892 [0,0,0,0,0,1|1,1,1]=4 1881 B9R0.55 CC(C)CCCSC(C)C 62a_100011214892_100000210206 [0,0,0,0,0,1|1,1,1]=4 1882 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [0,0,0,0,0,1|2,0,0]=3 1883 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,0,0,0,0,1|2,0,0]=3 1884 B9R0.55 CC(C)CCNCC(C)C 2230a_100000210953_100000210312 [0,0,0,0,0,1|2,0,1]=4 1885 B9R0.55 CC(C)CCNCC(C)C 269862a_100000210953_100000185833 [0,0,0,0,0,1|2,0,1]=4 1886 B9R0.55 CC(C)CCNCC(C)C 270004a_100000210545_100000210432 [0,0,0,0,0,1|2,0,1]=4 1887 B9R0.55 CC(C)CCNCC(C)C 34a_100000210953_100000210312 [0,0,0,0,0,1|2,0,1]=4 1888 B9R0.55 CC(C)CCNCC(C)O 2230a_100000210904_100000210312 [0,0,0,0,0,1|1,0,2]=4 1889 B9R0.55 CC(C)CCNCC(C)O 269862a_100000210904_100000185833 [0,0,0,0,0,1|1,0,2]=4 1890 B9R0.55 CC(C)CCNCC(C)O 34a_100000210904_100000210312 [0,0,0,0,0,1|1,0,2]=4 1891 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,0,0,0,0,1|1,0,0]=2 1892 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,0,0,0,0,1|1,0,0]=2 1893 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [0,0,0,0,0,1|1,0,0]=2 1894 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [0,0,0,0,0,1|1,0,1]=3 1895 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [0,0,0,0,0,1|1,0,1]=3 1896 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [0,0,0,0,0,1|1,0,1]=3 1897 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [0,0,0,0,0,1|1,0,1]=3 1898 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [0,0,0,0,0,1|1,0,1]=3 1899 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [0,0,0,0,0,1|0,0,2]=3 1900 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [0,0,0,0,0,1|0,0,2]=3 1901 B9R0.55 CC(C)CCOCC(F)F 34a_100000210254_100011934356 [0,0,0,0,0,1|2,0,1]=4 1902 B9R0.55 CC(C)CCOCC(F)F 34a_100000743014_100000210312 [0,0,0,0,0,1|2,0,1]=4 1903 B9R0.55 CC(C)CCOCC(F)F 7a_100000210254_100011934356 [0,0,0,0,0,1|2,0,1]=4 1904 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [0,0,0,0,0,1|1,0,1]=3 1905 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [0,0,0,0,0,1|1,0,1]=3 1906 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [0,0,0,0,0,1|0,0,2]=3 1907 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [0,0,0,0,0,1|0,0,2]=3 1908 B9R0.55 CC(C)CCOC[N+](=O)[O-] 34a_100000210254_100000761209 [0,0,0,0,0,1|2,0,0]=3 1909 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,0,0,0,0,1|1,1,0]=3 1910 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,0,0,0,0,1|1,1,0]=3 1911 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,0,0,0,0,1|1,1,0]=3 1912 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,0,0,0,0,1|1,1,0]=3 1913 B9R0.55 CC(C)CCSCC(C)C 62a_100000210312_100000210760 [0,0,0,0,0,1|1,1,1]=4 1914 B9R0.55 CC(C)CCSCC(C)C 62a_100000210624_100000210312 [0,0,0,0,0,1|1,1,1]=4 1915 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [0,0,0,0,0,1|0,1,2]=4 1916 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [0,0,0,0,0,1|0,1,2]=4 1917 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [0,0,0,0,0,1|0,1,2]=4 1918 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [0,0,0,0,0,1|0,1,2]=4 1919 B9R0.55 CC(C)CCSC[N+](=O)[O-] 62a_100000210312_100000761209 [0,0,0,0,0,1|2,1,0]=4 1920 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [0,0,0,0,0,1|2,0,0]=3 1921 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [0,0,0,0,0,1|2,0,0]=3 1922 B9R0.55 CC(C)CNCCC(C)O 2230a_100000210953_100012276601 [0,0,0,0,0,1|1,0,2]=4 1923 B9R0.55 CC(C)CNCCC(C)O 2230a_200000755665_100000210760 [0,0,0,0,0,1|1,0,2]=4 1924 B9R0.55 CC(C)CNCCC(C)O 270004a_200000755665_100000210432 [0,0,0,0,0,1|1,0,2]=4 1925 B9R0.55 CC(C)CNCCC(C)O 34a_100000210953_100012276601 [0,0,0,0,0,1|1,0,2]=4 1926 B9R0.55 CC(C)CNCCN(C)C 270004a_100000210585_100000210432 [0,0,0,0,0,1|3,0,0]=4 1927 B9R0.55 CC(C)CNCOC(C)C 2230a_100000210953_100000709892 [0,0,0,0,0,1|1,0,1]=3 1928 B9R0.55 CC(C)CNCOC(C)C 34a_100000210953_100000709892 [0,0,0,0,0,1|1,0,1]=3 1929 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,0,0,0,0,1|2,0,0]=3 1930 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [0,0,0,0,0,1|2,0,0]=3 1931 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [0,0,0,0,0,1|2,0,0]=3 1932 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [0,0,0,0,0,1|2,0,0]=3 1933 B9R0.55 CC(C)COCCC(C)Br 34a_100009893172_100000210624 [0,0,0,0,0,1|2,0,1]=4 1934 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [0,0,0,0,0,1|1,0,2]=4 1935 B9R0.55 CC(C)COCC[C@@H](C)N 34a_100000706166_100000210624 [0,0,0,0,0,1|2,0,1]=4 1936 B9R0.55 CC(C)COCOC(C)C 34a_100000210257_100000709892 [0,0,0,0,0,1|1,0,1]=3 1937 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,0,0,0,0,1|2,0,0]=3 1938 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,0,0,0,0,1|2,0,0]=3 1939 B9R0.55 CC(C)CSCCC(C)O 62a_100000210624_100012276601 [0,0,0,0,0,1|1,0,2]=4 1940 B9R0.55 CC(C)CSCCC(C)O 62a_100012276601_100000210760 [0,0,0,0,0,1|1,0,2]=4 1941 B9R0.55 CC(C)CSCCN(C)C 62a_100000210624_100000755713 [0,0,0,0,0,1|3,0,0]=4 1942 B9R0.55 CC(C)CSCOC(C)C 62a_100000210624_100000709892 [0,0,0,0,0,1|1,0,1]=3 1943 B9R0.55 CC(C)CSCOC(C)C 62a_100000709892_100000210760 [0,0,0,0,0,1|1,0,1]=3 1944 B9R0.55 CC(C)NCCC=C(F)F 2230a_100138425928_200009816681 [0,0,0,0,0,1|3,0,0]=4 1945 B9R0.55 CC(C)NCCC=C(F)F 34a_100138425928_200009816681 [0,0,0,0,0,1|3,0,0]=4 1946 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [0,0,0,0,0,1|2,0,0]=3 1947 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [0,0,0,0,0,1|2,0,0]=3 1948 B9R0.55 CC(C)NCCCS(=O)C 2230a_200000753449_100000210206 [0,0,0,0,0,1|2,0,0]=3 1949 B9R0.55 CC(C)NCCNC(=O)N 2230a_100138425928_200000034859 [0,0,0,0,0,1|2,0,0]=3 1950 B9R0.55 CC(C)NCCNC(=O)N 34a_100020590234_100000210206 [0,0,0,0,0,1|2,0,0]=3 1951 B9R0.55 CC(C)NCCOC(=O)N 34a_100138425928_200011214921 [0,0,0,0,0,1|1,0,0]=2 1952 B9R0.55 CC(C)NCCOC(C)C 2230a_100000701111_100000210206 [0,0,0,0,0,1|1,0,1]=3 1953 B9R0.55 CC(C)NCCOC(C)C 2230a_100138425928_100000211751 [0,0,0,0,0,1|1,0,1]=3 1954 B9R0.55 CC(C)NCCOC(C)C 34a_100000224655_100000210206 [0,0,0,0,0,1|1,0,1]=3 1955 B9R0.55 CC(C)NCCOC(C)C 34a_100000701111_100000210206 [0,0,0,0,0,1|1,0,1]=3 1956 B9R0.55 CC(C)NCCOC(C)C 34a_100138425928_100000211751 [0,0,0,0,0,1|1,0,1]=3 1957 B9R0.55 CC(C)NCCSC(C)C 2230a_100000731138_100000210206 [0,0,0,0,0,1|1,1,1]=4 1958 B9R0.55 CC(C)NCCSC(C)C 2230a_100138425928_100000730970 [0,0,0,0,0,1|1,1,1]=4 1959 B9R0.55 CC(C)NCCSC(C)C 34a_100000731138_100000210206 [0,0,0,0,0,1|1,1,1]=4 1960 B9R0.55 CC(C)NCCSC(C)C 34a_100138425928_100000730970 [0,0,0,0,0,1|1,1,1]=4 1961 B9R0.55 CC(C)OCCC=C(F)F 34a_100000212225_200009816681 [0,0,0,0,0,1|3,0,0]=4 1962 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [0,0,0,0,0,1|2,0,0]=3 1963 B9R0.55 CC(C)OCCC[N+](=O)[O-] 34a_200000037920_100000210206 [0,0,0,0,0,1|3,0,0]=4 1964 B9R0.55 CC(C)OCCNC(=O)N 34a_100000181757_100000210206 [0,0,0,0,0,1|2,0,0]=3 1965 B9R0.55 CC(C)OCCOC(=O)N 34a_100000212225_200011214921 [0,0,0,0,0,1|1,0,0]=2 1966 B9R0.55 CC(C)OCCOC(=O)N 7a_100000766696_100000210206 [0,0,0,0,0,1|1,0,0]=2 1967 B9R0.55 CC(C)OCCOC(C)C 34a_100000211219_100000210206 [0,0,0,0,0,1|1,0,1]=3 1968 B9R0.55 CC(C)OCCOC(C)C 34a_100000212225_100000211751 [0,0,0,0,0,1|1,0,1]=3 1969 B9R0.55 CC(C)OCCOC(C)C 7a_100000211219_100000210206 [0,0,0,0,0,1|1,0,1]=3 1970 B9R0.55 CC(C)OCCSC(C)C 34a_100000212225_100000730970 [0,0,0,0,0,1|1,0,1]=3 1971 B9R0.55 CC(C)OCCSC(C)C 34a_200011212901_100000210206 [0,0,0,0,0,1|1,0,1]=3 1972 B9R0.55 CC(C)OCCSC(C)C 62a_100000210206_100000211751 [0,0,0,0,0,1|1,0,1]=3 1973 B9R0.55 CC(C)OCCSC(C)C 62a_100000211751_100000210206 [0,0,0,0,0,1|1,0,1]=3 1974 B9R0.55 CC(C)OCCSC(C)C 7a_200011212901_100000210206 [0,0,0,0,0,1|1,0,1]=3 1975 B9R0.55 CC(C)OCNCC(=O)N 2230a_100000711301_100000709892 [0,0,0,0,0,1|3,0,0]=4 1976 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,0,0,0,0,1|3,0,0]=4 1977 B9R0.55 CC(C)OCOC[C@@H](C)Cl 34a_100016084084_100000709892 [0,0,0,0,0,1|2,0,1]=4 1978 B9R0.55 CC(C)OCOC[C@@H](C)N 34a_100000737577_100000709892 [0,0,0,0,0,1|2,0,1]=4 1979 B9R0.55 CC(C)OCSCC(=O)N 62a_100000709892_100000747473 [0,0,0,0,0,1|2,1,0]=4 1980 B9R0.55 CC(C)OCSCC(=O)N 62a_100000747473_100000709892 [0,0,0,0,0,1|2,1,0]=4 1981 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100000709892_100020667443 [0,0,0,0,0,1|2,1,0]=4 1982 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100020667443_100000709892 [0,0,0,0,0,1|2,1,0]=4 1983 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100000709892_100009817552 [0,0,0,0,0,1|2,0,1]=4 1984 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100009817552_100000709892 [0,0,0,0,0,1|2,0,1]=4 1985 B9R0.55 CC(C)SCCC=C(F)F 62a_100000210206_200009816681 [0,0,0,0,0,1|3,0,0]=4 1986 B9R0.55 CC(C)SCCC=C(F)F 62a_200009816681_100000210206 [0,0,0,0,0,1|3,0,0]=4 1987 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [0,0,0,0,0,1|2,0,0]=3 1988 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [0,0,0,0,0,1|2,0,0]=3 1989 B9R0.55 CC(C)SCCCN(C)C 62a_100000210206_100000757444 [0,0,0,0,0,1|3,0,0]=4 1990 B9R0.55 CC(C)SCCNC(=O)N 62a_100000210206_200000034859 [0,0,0,0,0,1|2,0,0]=3 1991 B9R0.55 CC(C)SCCNC(=O)N 62a_200000034859_100000210206 [0,0,0,0,0,1|2,0,0]=3 1992 B9R0.55 CC(C)SCCOC(=O)N 62a_100000210206_200011214921 [0,0,0,0,0,1|1,0,0]=2 1993 B9R0.55 CC(C)SCCOC(=O)N 62a_200011214921_100000210206 [0,0,0,0,0,1|1,0,0]=2 1994 B9R0.55 CC(C)SCCSC(C)C 62a_100000210206_100000730970 [0,0,0,0,0,1|1,1,1]=4 1995 B9R0.55 CC(C)SCCSC(C)C 62a_100000730970_100000210206 [0,0,0,0,0,1|1,1,1]=4 1996 B9R0.55 CC(F)COCCC(=O)N 34a_100015925927_100000731001 [0,0,0,0,0,1|3,0,0]=4 1997 B9R0.55 CC(F)COCOC(C)C 34a_100015925927_100000709892 [0,0,0,0,0,1|2,0,1]=4 1998 B9R0.55 CC(O)CCCNC(C)C 2230a_100138425928_200000718107 [0,0,0,0,0,1|1,0,2]=4 1999 B9R0.55 CC(O)CCCNC(C)C 34a_100138425928_200000718107 [0,0,0,0,0,1|1,0,2]=4 2000 B9R0.55 CC(O)CCCOC(C)C 34a_100000212225_200000718107 [0,0,0,0,0,1|1,0,2]=4 2001 B9R0.55 CC(O)CCCSC(C)C 62a_100000210206_200000718107 [0,0,0,0,0,1|1,0,2]=4 2002 B9R0.55 CC(O)CCCSC(C)C 62a_200000718107_100000210206 [0,0,0,0,0,1|1,0,2]=4 2003 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,0,0,0,0,1|3,0,0]=4 2004 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,0,0,0,0,1|3,0,0]=4 2005 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,0,0,0,0,1|3,0,0]=4 2006 B9R0.55 CC(O)CCOCC(C)Br 34a_100012180447_100012276601 [0,0,0,0,0,1|2,0,1]=4 2007 B9R0.55 CC(O)CCOCC(C)F 34a_100015925927_100012276601 [0,0,0,0,0,1|2,0,1]=4 2008 B9R0.55 CC(O)CCOC[C@@H](C)Cl 34a_100016084084_100012276601 [0,0,0,0,0,1|2,0,1]=4 2009 B9R0.55 CC(O)CCOC[C@@H](C)N 34a_100000737577_100012276601 [0,0,0,0,0,1|2,0,1]=4 2010 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,0,0,0,0,1|2,1,0]=4 2011 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,0,0,0,0,1|2,1,0]=4 2012 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,0,0,0,0,1|2,1,0]=4 2013 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,0,0,0,0,1|2,1,0]=4 2014 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,0,0,0,0,1|3,0,0]=4 2015 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,0,0,0,0,1|3,0,0]=4 2016 B9R0.55 CC(O)CNCOC(C)C 2230a_100000210904_100000709892 [0,0,0,0,0,1|2,0,1]=4 2017 B9R0.55 CC(O)CNCOC(C)C 34a_100000210904_100000709892 [0,0,0,0,0,1|2,0,1]=4 2018 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,0,0,0,0,1|3,0,0]=4 2019 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,0,0,0,0,1|3,0,0]=4 2020 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,0,0,0,0,1|3,0,0]=4 2021 B9R0.55 CC(O)COCCC(C)Br 34a_100009893172_100011218427 [0,0,0,0,0,1|1,0,2]=4 2022 B9R0.55 CC(O)COCC[C@@H](C)N 34a_100000706166_100011218427 [0,0,0,0,0,1|1,0,2]=4 2023 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,0,0,0,0,1|3,0,0]=4 2024 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,0,0,0,0,1|3,0,0]=4 2025 B9R0.55 CC(O)CSCOC(C)C 62a_100000709892_100011218427 [0,0,0,0,0,1|2,0,1]=4 2026 B9R0.55 CC(O)CSCOC(C)C 62a_100011218427_100000709892 [0,0,0,0,0,1|2,0,1]=4 2027 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,0,0,0,0,1|3,0,0]=4 2028 B9R0.55 CN(C)CCOCC(=O)N 2230a_100102631434_100000076697 [0,0,0,0,0,1|2,0,0]=3 2029 B9R0.55 CN(C)CCOCC(=O)N 269982a_100102631434_100000076697 [0,0,0,0,0,1|2,0,0]=3 2030 B9R0.55 CN(C)CCSCC(=O)N 62a_100000747473_100000755713 [0,0,0,0,0,1|2,1,0]=4 2031 B9R0.55 CN(C)CCSCC(=O)[O-] 62a_100020667443_100000755713 [0,0,0,0,0,1|2,1,0]=4 2032 B9R0.55 C[C@@H](Cl)COCCC(=O)N 34a_100016084084_100000731001 [0,0,0,0,0,1|3,0,0]=4 2033 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [0,0,0,0,0,1|2,0,0]=3 2034 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [0,0,0,0,0,1|2,0,0]=3 2035 B9R0.55 C[C@@H](N)CCOC[C@@H](C)O 34a_100000706166_100009817552 [0,0,0,0,0,1|1,0,2]=4 2036 B9R0.55 C[C@@H](N)CCOC[N+](=O)[O-] 34a_100000706166_100000761209 [0,0,0,0,0,1|3,0,0]=4 2037 B9R0.55 C[C@@H](N)COCCC(=O)N 34a_100000737577_100000731001 [0,0,0,0,0,1|3,0,0]=4 2038 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,0,0,0,0,1|3,0,0]=4 2039 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,0,0,0,0,1|3,0,0]=4 2040 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,0,0,0,0,1|3,0,0]=4 2041 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,0,0,0,0,1|3,0,0]=4 2042 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,0,0,0,0,1|3,0,0]=4 2043 B9R0.55 NC(=O)COCCC(F)F 34a_100103093639_100000187820 [0,0,0,0,0,1|3,0,0]=4 2044 B9R0.55 O=C([O-])COCCC(F)F 34a_100103093639_100020667443 [0,0,0,0,0,1|3,0,0]=4 2045 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [2,0,0,0,0,0|0,0,2]=4 2046 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [2,0,0,0,0,0|0,0,2]=4 2047 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [2,0,0,0,0,0|0,0,2]=4 2048 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,2]=4 2049 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [2,0,0,0,0,0|1,0,1]=4 2050 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 2051 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|2,0,0]=4 2052 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 2053 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|0,0,2]=4 2054 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|0,0,2]=4 2055 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|0,0,2]=4 2056 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|2,0,0]=4 2057 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|2,0,0]=4 2058 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|2,0,0]=4 2059 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|2,0,0]=4 2060 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [2,0,0,0,0,0|2,0,0]=4 2061 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|2,0,0]=4 2062 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|2,0,0]=4 2063 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [2,0,0,0,0,0|2,0,0]=4 2064 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [2,0,0,0,0,0|2,0,0]=4 2065 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|0,0,2]=4 2066 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|0,0,2]=4 2067 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|0,0,2]=4 2068 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [2,0,0,0,0,0|1,0,1]=4 2069 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [2,0,0,0,0,0|1,0,1]=4 2070 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [2,0,0,0,0,0|1,0,1]=4 2071 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [2,0,0,0,0,0|1,0,1]=4 2072 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [2,0,0,0,0,0|1,0,1]=4 2073 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [2,0,0,0,0,0|1,0,1]=4 2074 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [2,0,0,0,0,0|1,0,1]=4 2075 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [2,0,0,0,0,0|1,0,1]=4 2076 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [2,0,0,0,0,0|1,0,1]=4 2077 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [2,0,0,0,0,0|1,0,1]=4 2078 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [2,0,0,0,0,0|1,0,1]=4 2079 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [2,0,0,0,0,0|1,0,1]=4 2080 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [2,0,0,0,0,0|1,0,1]=4 2081 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [2,0,0,0,0,0|0,0,2]=4 2082 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [2,0,0,0,0,0|0,0,2]=4 2083 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [2,0,0,0,0,0|1,0,1]=4 2084 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [2,0,0,0,0,0|1,0,1]=4 2085 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,0]=3 2086 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,0]=3 2087 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|1,0,0]=3 2088 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|1,0,0]=3 2089 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|1,0,0]=3 2090 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|1,0,0]=3 2091 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [2,0,0,0,0,0|2,0,0]=4 2092 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 2093 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 2094 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 2095 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [2,0,0,0,0,0|2,0,0]=4 2096 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|2,0,0]=4 2097 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|2,0,0]=4 2098 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|1,0,0]=3 2099 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|1,0,0]=3 2100 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [2,0,0,0,0,0|1,0,0]=3 2101 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [2,0,0,0,0,0|0,0,0]=2 2102 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [2,0,0,0,0,0|0,0,0]=2 2103 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [2,0,0,0,0,0|0,1,0]=3 2104 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [2,0,0,0,0,0|0,1,0]=3 2105 B6R0.4 CC(C)COCF 34a_100000210257_100015361967 [2,0,0,0,0,0|1,0,1]=4 2106 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [2,0,0,0,0,0|1,0,0]=3 2107 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [2,0,0,0,0,0|1,0,0]=3 2108 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [2,0,0,0,0,0|1,0,0]=3 2109 B6R0.4 CC(C)OCS[13CH3] 62a_100000709892_200025704644 [2,0,0,0,0,0|1,1,0]=4 2110 B6R0.4 CC(C)OCS[13CH3] 62a_200025704644_100000709892 [2,0,0,0,0,0|1,1,0]=4 2111 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [2,0,0,0,0,0|1,0,0]=3 2112 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [2,0,0,0,0,0|1,0,0]=3 2113 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [2,0,0,0,0,0|2,0,0]=4 2114 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [2,0,0,0,0,0|1,1,0]=4 2115 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [2,0,0,0,0,0|1,1,0]=4 2116 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,2]=4 2117 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,2]=4 2118 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,2]=4 2119 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [2,0,0,0,0,0|1,0,1]=4 2120 B6R0.4 CC=NNC(C)C 4a_100000741168_200000210099 [2,0,0,0,0,0|2,0,0]=4 2121 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [2,0,0,0,0,0|0,0,2]=4 2122 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [2,0,0,0,0,0|0,0,2]=4 2123 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|0,0,2]=4 2124 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|0,0,2]=4 2125 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,0]=2 2126 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,0]=2 2127 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,0]=2 2128 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [2,0,0,0,0,0|1,0,1]=4 2129 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [2,0,0,0,0,0|1,0,1]=4 2130 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [2,0,0,0,0,0|1,0,1]=4 2131 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [2,0,0,0,0,0|1,0,1]=4 2132 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [2,0,0,0,0,0|1,0,1]=4 2133 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [2,0,0,0,0,0|1,0,1]=4 2134 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 2135 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 2136 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 2137 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,0]=3 2138 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [2,0,0,0,0,0|1,0,1]=4 2139 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [2,0,0,0,0,0|1,0,1]=4 2140 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [2,0,0,0,0,0|1,0,1]=4 2141 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [2,0,0,0,0,0|1,0,1]=4 2142 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [2,0,0,0,0,0|1,0,1]=4 2143 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [2,0,0,0,0,0|1,0,1]=4 2144 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 2145 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 2146 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|2,0,0]=4 2147 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [2,0,0,0,0,0|1,0,1]=4 2148 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [2,0,0,0,0,0|1,0,1]=4 2149 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [2,0,0,0,0,0|1,0,1]=4 2150 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [2,0,0,0,0,0|1,0,1]=4 2151 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [2,0,0,0,0,0|2,0,0]=4 2152 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,0]=3 2153 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,0]=3 2154 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 2155 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,0]=3 2156 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|2,0,0]=4 2157 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [2,0,0,0,0,0|1,0,1]=4 2158 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [2,0,0,0,0,0|0,0,1]=3 2159 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [2,0,0,0,0,0|0,0,1]=3 2160 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [2,0,0,0,0,0|1,0,1]=4 2161 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [2,0,0,0,0,0|1,0,1]=4 2162 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [2,0,0,0,0,0|1,0,1]=4 2163 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [2,0,0,0,0,0|1,0,1]=4 2164 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [2,0,0,0,0,0|1,0,1]=4 2165 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [2,0,0,0,0,0|1,0,1]=4 2166 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,0]=3 2167 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 2168 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 2169 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,0]=3 2170 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|2,0,0]=4 2171 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|2,0,0]=4 2172 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [2,0,0,0,0,0|0,1,1]=4 2173 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [2,0,0,0,0,0|0,1,1]=4 2174 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [2,0,0,0,0,0|1,1,0]=4 2175 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,0]=3 2176 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 2177 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 2178 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 2179 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [2,0,0,0,0,0|1,0,0]=3 2180 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [2,0,0,0,0,0|1,0,0]=3 2181 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [2,0,0,0,0,0|1,0,0]=3 2182 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [2,0,0,0,0,0|1,0,0]=3 2183 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [2,0,0,0,0,0|2,0,0]=4 2184 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [2,0,0,0,0,0|2,0,0]=4 2185 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [2,0,0,0,0,0|2,0,0]=4 2186 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [2,0,0,0,0,0|2,0,0]=4 2187 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [2,0,0,0,0,0|2,0,0]=4 2188 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|1,0,0]=3 2189 B6R0.4 CNCOC(C)C 2230a_106832991635_100000709892 [2,0,0,0,0,0|2,0,0]=4 2190 B6R0.4 CNCOC(C)C 34a_100102657272_100000709892 [2,0,0,0,0,0|2,0,0]=4 2191 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [2,0,0,0,0,0|0,0,2]=4 2192 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [2,0,0,0,0,0|0,0,2]=4 2193 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|1,0,0]=3 2194 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|1,0,0]=3 2195 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|1,0,0]=3 2196 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|1,0,0]=3 2197 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 2198 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 2199 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 2200 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|1,0,0]=3 2201 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [2,0,0,0,0,0|1,0,0]=3 2202 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [2,0,0,0,0,0|0,0,0]=2 2203 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [2,0,0,0,0,0|0,0,0]=2 2204 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [2,0,0,0,0,0|0,0,0]=2 2205 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [2,0,0,0,0,0|1,0,0]=3 2206 B6R0.4 COCCC(F)F 34a_100103093639_200000210301 [2,0,0,0,0,0|2,0,0]=4 2207 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [2,0,0,0,0,0|1,0,0]=3 2208 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [2,0,0,0,0,0|1,0,0]=3 2209 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [2,0,0,0,0,0|1,0,0]=3 2210 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [2,0,0,0,0,0|1,0,0]=3 2211 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [2,0,0,0,0,0|1,0,0]=3 2212 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [2,0,0,0,0,0|1,0,0]=3 2213 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [2,0,0,0,0,0|1,0,0]=3 2214 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [2,0,0,0,0,0|1,0,0]=3 2215 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|1,0,0]=3 2216 B6R0.4 COCOC(C)C 34a_100138415774_100000709892 [2,0,0,0,0,0|1,0,0]=3 2217 B6R0.4 COCSC(C)C 62a_100000210206_100000766300 [2,0,0,0,0,0|1,0,0]=3 2218 B6R0.4 COCSC(C)C 62a_100000766300_100000210206 [2,0,0,0,0,0|1,0,0]=3 2219 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|1,0,0]=3 2220 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|1,0,0]=3 2221 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|1,0,0]=3 2222 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|1,0,0]=3 2223 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 2224 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 2225 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|1,0,0]=3 2226 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [2,0,0,0,0,0|0,1,0]=3 2227 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [2,0,0,0,0,0|0,1,0]=3 2228 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [2,0,0,0,0,0|1,1,0]=4 2229 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [2,0,0,0,0,0|1,1,0]=4 2230 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [2,0,0,0,0,0|1,1,0]=4 2231 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [2,0,0,0,0,0|1,1,0]=4 2232 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [2,0,0,0,0,0|1,1,0]=4 2233 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [2,0,0,0,0,0|1,1,0]=4 2234 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [2,0,0,0,0,0|1,1,0]=4 2235 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [2,0,0,0,0,0|1,1,0]=4 2236 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [2,0,0,0,0,0|1,1,0]=4 2237 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [2,0,0,0,0,0|1,1,0]=4 2238 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [2,0,0,0,0,0|1,1,0]=4 2239 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|1,0,0]=3 2240 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|1,0,0]=3 2241 B6R0.4 CSCOC(C)C 34a_100000212225_100011218213 [2,0,0,0,0,0|1,1,0]=4 2242 B6R0.4 CSCOC(C)C 62a_100000709892_200000210301 [2,0,0,0,0,0|1,1,0]=4 2243 B6R0.4 CSCOC(C)C 62a_200000210301_100000709892 [2,0,0,0,0,0|1,1,0]=4 2244 B6R0.4 CSCSC(C)C 62a_100000210206_100011218213 [2,0,0,0,0,0|1,1,0]=4 2245 B6R0.4 CSCSC(C)C 62a_100011218213_100000210206 [2,0,0,0,0,0|1,1,0]=4 2246 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [2,0,0,0,0,0|1,0,0]=3 2247 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [2,0,0,0,0,0|1,0,1]=4 2248 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 2249 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 2250 B6R0.4 [13CH3]OCCC(F)F 34a_100103093639_200025704644 [2,0,0,0,0,0|2,0,0]=4 2251 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 2252 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 2253 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|2,0,0]=4 2254 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|2,0,0]=4 2255 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|2,0,0]=4 2256 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|2,0,0]=4 2257 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [2,0,0,0,0,0|2,0,0]=4 2258 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [2,0,0,0,0,0|2,0,0]=4 2259 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [2,0,0,0,0,0|1,0,1]=4 2260 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [2,0,0,0,0,0|1,0,1]=4 2261 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [2,0,0,0,0,0|1,0,1]=4 2262 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [2,0,0,0,0,0|1,0,1]=4 2263 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [2,0,0,0,0,0|1,0,1]=4 2264 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [2,0,0,0,0,0|1,0,1]=4 2265 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [2,0,0,0,0,0|1,0,1]=4 2266 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [2,0,0,0,0,0|1,0,1]=4 2267 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [2,0,0,0,0,0|1,0,1]=4 2268 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [2,0,0,0,0,0|1,0,1]=4 2269 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [2,0,0,0,0,0|2,0,0]=4 2270 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|2,0,0]=4 2271 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [2,0,0,0,0,0|2,0,0]=4 2272 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [2,0,0,0,0,0|2,0,0]=4 2273 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [2,0,0,0,0,0|2,0,0]=4 2274 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|2,0,0]=4 2275 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|2,0,0]=4 2276 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|2,0,0]=4 2277 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|2,0,0]=4 2278 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|2,0,0]=4 2279 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|2,0,0]=4 2280 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|2,0,0]=4 2281 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|2,0,0]=4 2282 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|2,0,0]=4 2283 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|2,0,0]=4 2284 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|2,0,0]=4 2285 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|2,0,0]=4 2286 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|2,0,0]=4 2287 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|2,0,0]=4 2288 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 2289 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 2290 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 2291 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|0,0,1]=3 2292 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|0,0,1]=3 2293 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|0,0,1]=3 2294 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [2,0,0,0,0,0|1,0,1]=4 2295 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [2,0,0,0,0,0|1,0,1]=4 2296 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|0,1,1]=4 2297 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|0,1,1]=4 2298 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|2,0,0]=4 2299 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|2,0,0]=4 2300 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|2,0,0]=4 2301 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [2,0,0,0,0,0|1,0,1]=4 2302 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [2,0,0,0,0,0|1,0,1]=4 2303 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [2,0,0,0,0,0|1,0,1]=4 2304 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [2,0,0,0,0,0|1,0,1]=4 2305 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [2,0,0,0,0,0|1,0,1]=4 2306 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,1]=4 2307 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [2,0,0,0,0,0|1,0,1]=4 2308 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [2,0,0,0,0,0|1,0,1]=4 2309 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [2,0,0,0,0,0|1,0,1]=4 2310 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [2,0,0,0,0,0|1,0,1]=4 2311 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [2,0,0,0,0,0|1,0,1]=4 2312 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [2,0,0,0,0,0|1,0,1]=4 2313 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [2,0,0,0,0,0|1,0,1]=4 2314 B6R0.6 CCOCCOC 34a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 2315 B6R0.6 CCOCCOC 34a_100000210237_100000210202 [2,0,0,0,0,0|1,0,1]=4 2316 B6R0.6 CCOCCOC 34a_100121572206_100011201679 [2,0,0,0,0,0|1,0,1]=4 2317 B6R0.6 CCOCCOC 34a_100138415774_100000210147 [2,0,0,0,0,0|1,0,1]=4 2318 B6R0.6 CCOCCOC 7a_100000210136_200000210301 [2,0,0,0,0,0|1,0,1]=4 2319 B6R0.6 CCOCCO[13CH3] 34a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 2320 B6R0.6 CCOCCO[13CH3] 7a_100000210136_200025704644 [2,0,0,0,0,0|1,0,1]=4 2321 B6R0.6 CCOCCSC 34a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 2322 B6R0.6 CCOCCSC 34a_100121572206_100000212216 [2,0,0,0,0,0|1,0,1]=4 2323 B6R0.6 CCOCCSC 62a_100000210147_200000210301 [2,0,0,0,0,0|1,0,1]=4 2324 B6R0.6 CCOCCSC 62a_200000210301_100011215890 [2,0,0,0,0,0|1,0,1]=4 2325 B6R0.6 CCOCCSC 7a_100000230434_100000210202 [2,0,0,0,0,0|1,0,1]=4 2326 B6R0.6 CCOCCS[13CH3] 62a_100000210147_200025704644 [2,0,0,0,0,0|1,0,1]=4 2327 B6R0.6 CCOCCS[13CH3] 62a_200025704644_100011215890 [2,0,0,0,0,0|1,0,1]=4 2328 B6R0.6 CCOCSCC 62a_100000210202_100000739092 [2,0,0,0,0,0|1,0,1]=4 2329 B6R0.6 CCOCSCC 62a_100000739092_100000210202 [2,0,0,0,0,0|1,0,1]=4 2330 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|2,0,0]=4 2331 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|2,0,0]=4 2332 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|2,0,0]=4 2333 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|2,0,0]=4 2334 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|2,0,0]=4 2335 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|2,0,0]=4 2336 B8R0.5 C/C=C/C(C)OC(C)C 34a_200102604097_100000210206 [1,1,0,0,0,0|2,0,0]=4 2337 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|1,0,1]=4 2338 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|1,0,1]=4 2339 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,1,0,0,0,0|2,0,0]=4 2340 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,1,0,0,0,0|2,0,0]=4 2341 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [1,1,0,0,0,0|2,0,0]=4 2342 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [1,1,0,0,0,0|2,0,0]=4 2343 B8R0.5 CC(C)CC(C)OCF 34a_100000211805_100015361967 [1,1,0,0,0,0|1,0,1]=4 2344 B8R0.5 CC(C)CC(C)OCF 7a_100000211805_100015361967 [1,1,0,0,0,0|1,0,1]=4 2345 B8R0.5 CC(C)CN(C)CC=O 2230a_100000747067_200015260668 [1,1,0,0,0,0|2,0,0]=4 2346 B8R0.5 CC(C)CN(C)CC=O 269982a_100000747067_200015260668 [1,1,0,0,0,0|2,0,0]=4 2347 B8R0.5 CC(C)C[C@H](N)CO[13CH3] 34a_100011830311_200025704644 [1,1,0,0,0,0|2,0,0]=4 2348 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [1,1,0,0,0,0|1,0,1]=4 2349 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,1,0,0,0,0|1,0,1]=4 2350 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,1,0,0,0,0|1,0,1]=4 2351 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|1,0,1]=4 2352 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|1,0,0]=3 2353 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|1,0,0]=3 2354 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|1,0,0]=3 2355 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 2356 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 2357 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 2358 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|1,0,0]=3 2359 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [1,1,0,0,0,0|1,0,1]=4 2360 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [1,1,0,0,0,0|1,0,1]=4 2361 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [1,1,0,0,0,0|1,0,1]=4 2362 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|2,0,0]=4 2363 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|2,0,0]=4 2364 B8R0.5 CCNC(C)CC(C)C 2230a_100000692259_100000210202 [1,1,0,0,0,0|1,0,1]=4 2365 B8R0.5 CCNC(C)CC(C)C 2230a_100015525214_100000731052 [1,1,0,0,0,0|1,0,1]=4 2366 B8R0.5 CCOC(C)CC(C)C 34a_100000211805_100000210202 [1,1,0,0,0,0|0,0,1]=3 2367 B8R0.5 CCOC(C)CC(C)C 34a_100121572206_100000731052 [1,1,0,0,0,0|0,0,1]=3 2368 B8R0.5 CCOC(C)CC(C)C 7a_100000211805_100000210202 [1,1,0,0,0,0|0,0,1]=3 2369 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|2,0,0]=4 2370 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|2,0,0]=4 2371 B8R0.5 CCSC(C)CC(C)C 62a_100000210202_100000731052 [1,1,0,0,0,0|0,1,1]=4 2372 B8R0.5 CCSC(C)CC(C)C 62a_100000731052_100000210202 [1,1,0,0,0,0|0,1,1]=4 2373 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [1,1,0,0,0,0|1,0,0]=3 2374 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [1,1,0,0,0,0|1,0,0]=3 2375 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 2376 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 2377 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 2378 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [1,1,0,0,0,0|2,0,0]=4 2379 B8R0.5 COC[C@@H](N)CC(C)C 34a_100011830311_200000210301 [1,1,0,0,0,0|2,0,0]=4 2380 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [1,1,0,0,0,0|1,0,1]=4 2381 B8R0.6 C#CC(C)OCCCC 34a_100000210227_200000035995 [1,1,0,0,0,0|1,0,1]=4 2382 B8R0.6 C#C[C@@H](C)OCCCC 34a_100009815206_100000210210 [1,1,0,0,0,0|1,0,1]=4 2383 B8R0.6 C#C[C@@H](C)OCCCC 7a_100009815206_100000210211 [1,1,0,0,0,0|1,0,1]=4 2384 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [1,1,0,0,0,0|2,0,0]=4 2385 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [1,1,0,0,0,0|2,0,0]=4 2386 B8R0.6 C/C=C/COC(C)CF 34a_100016041109_100102629194 [1,1,0,0,0,0|2,0,0]=4 2387 B8R0.6 C/C=C/COC(C)CF 7a_100016041109_100102629194 [1,1,0,0,0,0|2,0,0]=4 2388 B8R0.6 C/C=C/COC(C)CN 34a_100000210904_100102629194 [1,1,0,0,0,0|2,0,0]=4 2389 B8R0.6 C/C=C/COC(C)CO 34a_100016270725_100012180447 [1,1,0,0,0,0|2,0,0]=4 2390 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [1,1,0,0,0,0|2,0,0]=4 2391 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [1,1,0,0,0,0|2,0,0]=4 2392 B8R0.6 C/C=C/CSC(C)CO 62a_100012180447_100102629194 [1,1,0,0,0,0|2,0,0]=4 2393 B8R0.6 C/C=C/CSC(C)OC 62a_100009879195_100102629194 [1,1,0,0,0,0|2,0,0]=4 2394 B8R0.6 C/C=C/CSC(C)OC 62a_100102629194_100009879195 [1,1,0,0,0,0|2,0,0]=4 2395 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100016084084_100102629194 [1,1,0,0,0,0|2,0,0]=4 2396 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100102629194_100016084084 [1,1,0,0,0,0|2,0,0]=4 2397 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,1,0,0,0,0|1,0,1]=4 2398 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [1,1,0,0,0,0|1,0,1]=4 2399 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [1,1,0,0,0,0|1,0,1]=4 2400 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [1,1,0,0,0,0|1,0,1]=4 2401 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [1,1,0,0,0,0|1,0,1]=4 2402 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [1,1,0,0,0,0|1,0,1]=4 2403 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [1,1,0,0,0,0|1,0,1]=4 2404 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [1,1,0,0,0,0|1,0,1]=4 2405 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [1,1,0,0,0,0|1,0,1]=4 2406 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [1,1,0,0,0,0|1,0,1]=4 2407 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [1,1,0,0,0,0|1,0,1]=4 2408 B8R0.6 C=CC(C)OCCCC 34a_100000695699_100000210210 [1,1,0,0,0,0|1,0,1]=4 2409 B8R0.6 C=COCCN(C)CC 2230a_100000225621_100000039644 [1,1,0,0,0,0|1,0,1]=4 2410 B8R0.6 C=COCCN(C)CC 269982a_100000225621_100000039644 [1,1,0,0,0,0|1,0,1]=4 2411 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|2,0,0]=4 2412 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [1,1,0,0,0,0|2,0,0]=4 2413 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [1,1,0,0,0,0|2,0,0]=4 2414 B8R0.6 CC=CCN[C@H](C)CO 2230a_100000737577_100000070051 [1,1,0,0,0,0|2,0,0]=4 2415 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [1,1,0,0,0,0|2,0,0]=4 2416 B8R0.6 CC=CCOC(C)CF 34a_100016041109_100000070051 [1,1,0,0,0,0|2,0,0]=4 2417 B8R0.6 CC=CCOC(C)CF 7a_100016041109_100000070051 [1,1,0,0,0,0|2,0,0]=4 2418 B8R0.6 CC=CCOC(C)CN 34a_100000210904_100000070051 [1,1,0,0,0,0|2,0,0]=4 2419 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [1,1,0,0,0,0|2,0,0]=4 2420 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [1,1,0,0,0,0|2,0,0]=4 2421 B8R0.6 CC=CCSC(C)CO 62a_100012180447_100000070051 [1,1,0,0,0,0|2,0,0]=4 2422 B8R0.6 CC=CCSC(C)OC 62a_100000070051_100009879195 [1,1,0,0,0,0|2,0,0]=4 2423 B8R0.6 CC=CCSC(C)OC 62a_100009879195_100000070051 [1,1,0,0,0,0|2,0,0]=4 2424 B8R0.6 CC=CCS[C@H](C)CO 62a_100000070051_100016084084 [1,1,0,0,0,0|2,0,0]=4 2425 B8R0.6 CC=CCS[C@H](C)CO 62a_100016084084_100000070051 [1,1,0,0,0,0|2,0,0]=4 2426 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,1,0,0,0,0|2,0,0]=4 2427 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,1,0,0,0,0|2,0,0]=4 2428 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,1,0,0,0,0|2,0,0]=4 2429 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,1,0,0,0,0|2,0,0]=4 2430 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,1,0,0,0,0|2,0,0]=4 2431 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,1,0,0,0,0|2,0,0]=4 2432 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [1,1,0,0,0,0|2,0,0]=4 2433 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [1,1,0,0,0,0|2,0,0]=4 2434 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [1,1,0,0,0,0|2,0,0]=4 2435 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [1,1,0,0,0,0|2,0,0]=4 2436 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,1,0,0,0,0|2,0,0]=4 2437 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,1,0,0,0,0|2,0,0]=4 2438 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [1,1,0,0,0,0|2,0,0]=4 2439 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [1,1,0,0,0,0|2,0,0]=4 2440 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [1,1,0,0,0,0|2,0,0]=4 2441 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [1,1,0,0,0,0|2,0,0]=4 2442 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [1,1,0,0,0,0|2,0,0]=4 2443 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [1,1,0,0,0,0|2,0,0]=4 2444 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [1,1,0,0,0,0|2,0,0]=4 2445 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [1,1,0,0,0,0|2,0,0]=4 2446 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [1,1,0,0,0,0|2,0,0]=4 2447 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [1,1,0,0,0,0|2,0,0]=4 2448 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [1,1,0,0,0,0|2,0,0]=4 2449 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [1,1,0,0,0,0|2,0,0]=4 2450 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [1,1,0,0,0,0|2,0,0]=4 2451 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [1,1,0,0,0,0|1,0,0]=3 2452 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [1,1,0,0,0,0|1,0,0]=3 2453 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,1,0,0,0,0|2,0,0]=4 2454 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,1,0,0,0,0|2,0,0]=4 2455 B8R0.6 CCC(C)CCOCF 7a_100011215188_100015361967 [1,1,0,0,0,0|1,0,1]=4 2456 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [1,1,0,0,0,0|2,0,0]=4 2457 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [1,1,0,0,0,0|2,0,0]=4 2458 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [1,1,0,0,0,0|2,0,0]=4 2459 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [1,1,0,0,0,0|1,0,1]=4 2460 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [1,1,0,0,0,0|1,0,1]=4 2461 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [1,1,0,0,0,0|1,0,1]=4 2462 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,1,0,0,0,0|1,0,1]=4 2463 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [1,1,0,0,0,0|1,0,1]=4 2464 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [1,1,0,0,0,0|1,0,1]=4 2465 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [1,1,0,0,0,0|1,0,1]=4 2466 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [1,1,0,0,0,0|1,0,1]=4 2467 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,1,0,0,0,0|1,0,0]=3 2468 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,1,0,0,0,0|1,0,0]=3 2469 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,1,0,0,0,0|1,0,0]=3 2470 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,1,0,0,0,0|1,0,0]=3 2471 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,1,0,0,0,0|1,0,0]=3 2472 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,1,0,0,0,0|1,0,0]=3 2473 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,1,0,0,0,0|1,0,0]=3 2474 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,1,0,0,0,0|1,0,0]=3 2475 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,1,0,0,0,0|1,0,1]=4 2476 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,1,0,0,0,0|1,0,1]=4 2477 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,1,0,0,0,0|1,0,1]=4 2478 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,1,0,0,0,0|1,0,1]=4 2479 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,1,0,0,0,0|1,0,1]=4 2480 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,1,0,0,0,0|1,0,1]=4 2481 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,1,0,0,0,0|1,0,1]=4 2482 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,1,0,0,0,0|1,0,1]=4 2483 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,1,0,0,0,0|1,0,1]=4 2484 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,1,0,0,0,0|1,0,1]=4 2485 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,1,0,0,0,0|1,0,1]=4 2486 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,1,0,0,0,0|1,0,1]=4 2487 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,1,0,0,0,0|1,0,1]=4 2488 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,1,0,0,0,0|1,0,1]=4 2489 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,1,0,0,0,0|1,0,1]=4 2490 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,1,0,0,0,0|1,0,0]=3 2491 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,1,0,0,0,0|1,0,0]=3 2492 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,1,0,0,0,0|1,0,0]=3 2493 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,1,0,0,0,0|1,0,0]=3 2494 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,1,0,0,0,0|1,0,0]=3 2495 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,1,0,0,0,0|1,0,0]=3 2496 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,1,0,0,0,0|1,0,0]=3 2497 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,1,0,0,0,0|1,0,0]=3 2498 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,1,0,0,0,0|1,0,0]=3 2499 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,1,0,0,0,0|1,0,0]=3 2500 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,1,0,0,0,0|1,0,0]=3 2501 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,1,0,0,0,0|1,0,0]=3 2502 B8R0.6 CCCCOC(C)C#N 34a_100011218135_100000210210 [1,1,0,0,0,0|1,0,1]=4 2503 B8R0.6 CCCCOC(C)C#N 7a_100000210227_100000703298 [1,1,0,0,0,0|1,0,1]=4 2504 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,1,0,0,0,0|1,0,1]=4 2505 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,1,0,0,0,0|1,0,1]=4 2506 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,1,0,0,0,0|1,0,1]=4 2507 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [1,1,0,0,0,0|1,0,1]=4 2508 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [1,1,0,0,0,0|1,0,1]=4 2509 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,1]=4 2510 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [1,1,0,0,0,0|0,0,2]=4 2511 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [1,1,0,0,0,0|0,0,2]=4 2512 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [1,1,0,0,0,0|2,0,0]=4 2513 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [1,1,0,0,0,0|2,0,0]=4 2514 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [1,1,0,0,0,0|2,0,0]=4 2515 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [1,1,0,0,0,0|2,0,0]=4 2516 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [1,1,0,0,0,0|2,0,0]=4 2517 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [1,1,0,0,0,0|2,0,0]=4 2518 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,1,0,0,0,0|2,0,0]=4 2519 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,1,0,0,0,0|2,0,0]=4 2520 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [1,1,0,0,0,0|2,0,0]=4 2521 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [1,1,0,0,0,0|2,0,0]=4 2522 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [1,1,0,0,0,0|2,0,0]=4 2523 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [1,1,0,0,0,0|2,0,0]=4 2524 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [1,1,0,0,0,0|2,0,0]=4 2525 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [1,1,0,0,0,0|2,0,0]=4 2526 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [1,1,0,0,0,0|2,0,0]=4 2527 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,1,0,0,0,0|2,0,0]=4 2528 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,1,0,0,0,0|2,0,0]=4 2529 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,1,0,0,0,0|2,0,0]=4 2530 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,1,0,0,0,0|2,0,0]=4 2531 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [1,1,0,0,0,0|2,0,0]=4 2532 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [1,1,0,0,0,0|2,0,0]=4 2533 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [1,1,0,0,0,0|2,0,0]=4 2534 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [1,1,0,0,0,0|2,0,0]=4 2535 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [1,1,0,0,0,0|2,0,0]=4 2536 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [1,1,0,0,0,0|2,0,0]=4 2537 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [1,1,0,0,0,0|2,0,0]=4 2538 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,1,0,0,0,0|2,0,0]=4 2539 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,1,0,0,0,0|2,0,0]=4 2540 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [1,1,0,0,0,0|2,0,0]=4 2541 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [1,1,0,0,0,0|2,0,0]=4 2542 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [1,1,0,0,0,0|2,0,0]=4 2543 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [1,1,0,0,0,0|2,0,0]=4 2544 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [1,1,0,0,0,0|2,0,0]=4 2545 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [1,1,0,0,0,0|2,0,0]=4 2546 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [1,1,0,0,0,0|1,0,1]=4 2547 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [1,1,0,0,0,0|1,0,1]=4 2548 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [1,1,0,0,0,0|1,0,1]=4 2549 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,1,0,0,0,0|2,0,0]=4 2550 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,1,0,0,0,0|2,0,0]=4 2551 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [1,1,0,0,0,0|2,0,0]=4 2552 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,1,0,0,0,0|2,0,0]=4 2553 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [1,1,0,0,0,0|2,0,0]=4 2554 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [1,1,0,0,0,0|2,0,0]=4 2555 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [1,1,0,0,0,0|2,0,0]=4 2556 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [1,1,0,0,0,0|2,0,0]=4 2557 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [1,1,0,0,0,0|2,0,0]=4 2558 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [1,1,0,0,0,0|2,0,0]=4 2559 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,1,0,0,0,0|2,0,0]=4 2560 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,1,0,0,0,0|0,0,1]=3 2561 B8R0.6 CCOCCC(C)NC 270004a_106832991635_200011216536 [1,1,0,0,0,0|0,0,1]=3 2562 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,1,0,0,0,0|0,0,1]=3 2563 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [1,1,0,0,0,0|1,0,1]=4 2564 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [1,1,0,0,0,0|1,0,1]=4 2565 B8R0.6 CCOCSC(C)CC 62a_100000739092_100000758301 [1,1,0,0,0,0|1,0,1]=4 2566 B8R0.6 CCOCSC(C)CC 62a_100000758301_100000739092 [1,1,0,0,0,0|1,0,1]=4 2567 B8R0.6 CCOCSC(C)CO 62a_100012180447_100000739092 [1,1,0,0,0,0|1,0,1]=4 2568 B8R0.6 CCOCSC(C)OC 62a_100000739092_100009879195 [1,1,0,0,0,0|1,0,1]=4 2569 B8R0.6 CCOCSC(C)OC 62a_100009879195_100000739092 [1,1,0,0,0,0|1,0,1]=4 2570 B8R0.6 CCOCS[C@H](C)CO 62a_100000739092_100016084084 [1,1,0,0,0,0|1,0,1]=4 2571 B8R0.6 CCOCS[C@H](C)CO 62a_100016084084_100000739092 [1,1,0,0,0,0|1,0,1]=4 2572 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,1,0,0,0,0|2,0,0]=4 2573 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,1,0,0,0,0|2,0,0]=4 2574 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [1,1,0,0,0,0|2,0,0]=4 2575 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,1,0,0,0,0|2,0,0]=4 2576 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [1,1,0,0,0,0|2,0,0]=4 2577 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [1,1,0,0,0,0|2,0,0]=4 2578 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [1,1,0,0,0,0|2,0,0]=4 2579 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [1,1,0,0,0,0|2,0,0]=4 2580 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [1,1,0,0,0,0|2,0,0]=4 2581 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [1,1,0,0,0,0|2,0,0]=4 2582 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,1,0,0,0,0|2,0,0]=4 2583 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,1,0,0,0,0|2,0,0]=4 2584 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [1,1,0,0,0,0|1,0,0]=3 2585 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [1,1,0,0,0,0|2,0,0]=4 2586 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [1,1,0,0,0,0|2,0,0]=4 2587 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [1,1,0,0,0,0|2,0,0]=4 2588 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,1,0,0,0,0|2,0,0]=4 2589 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [1,1,0,0,0,0|2,0,0]=4 2590 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [1,1,0,0,0,0|2,0,0]=4 2591 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [1,1,0,0,0,0|2,0,0]=4 2592 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [1,1,0,0,0,0|2,0,0]=4 2593 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [1,1,0,0,0,0|2,0,0]=4 2594 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [1,1,0,0,0,0|2,0,0]=4 2595 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [1,1,0,0,0,0|2,0,0]=4 2596 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [1,1,0,0,0,0|2,0,0]=4 2597 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [1,1,0,0,0,0|2,0,0]=4 2598 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [1,1,0,0,0,0|2,0,0]=4 2599 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [1,1,0,0,0,0|2,0,0]=4 2600 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [1,1,0,0,0,0|2,0,0]=4 2601 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [1,1,0,0,0,0|2,0,0]=4 2602 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [1,1,0,0,0,0|2,0,0]=4 2603 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [1,1,0,0,0,0|2,0,0]=4 2604 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [1,1,0,0,0,0|2,0,0]=4 2605 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [1,1,0,0,0,0|2,0,0]=4 2606 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [1,1,0,0,0,0|2,0,0]=4 2607 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [1,1,0,0,0,0|2,0,0]=4 2608 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [1,1,0,0,0,0|2,0,0]=4 2609 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [1,1,0,0,0,0|2,0,0]=4 2610 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [1,1,0,0,0,0|2,0,0]=4 2611 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [1,1,0,0,0,0|2,0,0]=4 2612 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [1,1,0,0,0,0|2,0,0]=4 2613 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [1,1,0,0,0,0|2,0,0]=4 2614 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [1,1,0,0,0,0|2,0,0]=4 2615 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [1,1,0,0,0,0|2,0,0]=4 2616 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [1,1,0,0,0,0|2,0,0]=4 2617 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [1,1,0,0,0,0|2,0,0]=4 2618 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [1,1,0,0,0,0|2,0,0]=4 2619 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [1,1,0,0,0,0|2,0,0]=4 2620 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [1,1,0,0,0,0|2,0,0]=4 2621 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [1,1,0,0,0,0|2,0,0]=4 2622 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [1,1,0,0,0,0|2,0,0]=4 2623 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [1,1,0,0,0,0|2,0,0]=4 2624 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [1,1,0,0,0,0|1,0,0]=3 2625 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [1,1,0,0,0,0|1,0,0]=3 2626 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [1,1,0,0,0,0|1,0,0]=3 2627 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [1,1,0,0,0,0|1,0,0]=3 2628 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [1,1,0,0,0,0|1,0,0]=3 2629 B8R0.6 CNC(C)CCCSC 270004a_106832991635_100011399439 [1,1,0,0,0,0|2,0,0]=4 2630 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [1,1,0,0,0,0|2,0,0]=4 2631 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [1,1,0,0,0,0|2,0,0]=4 2632 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [1,1,0,0,0,0|2,0,0]=4 2633 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [1,1,0,0,0,0|2,0,0]=4 2634 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [1,1,0,0,0,0|2,0,0]=4 2635 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,1,0,0,0,0|2,0,0]=4 2636 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,1,0,0,0,0|2,0,0]=4 2637 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,1,0,0,0,0|2,0,0]=4 2638 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [1,1,0,0,0,0|2,0,0]=4 2639 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [1,1,0,0,0,0|1,0,0]=3 2640 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [1,1,0,0,0,0|1,0,0]=3 2641 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,1,0,0,0,0|2,0,0]=4 2642 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,1,0,0,0,0|2,0,0]=4 2643 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,1,0,0,0,0|2,0,0]=4 2644 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,1,0,0,0,0|2,0,0]=4 2645 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [1,1,0,0,0,0|2,0,0]=4 2646 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,1,0,0,0,0|1,0,0]=3 2647 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [1,1,0,0,0,0|2,0,0]=4 2648 B8R0.6 COC(C)CCOCF 7a_100000764861_100015361967 [1,1,0,0,0,0|1,0,1]=4 2649 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [1,1,0,0,0,0|2,0,0]=4 2650 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [1,1,0,0,0,0|2,0,0]=4 2651 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,1,0,0,0,0|2,0,0]=4 2652 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,1,0,0,0,0|2,0,0]=4 2653 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [1,1,0,0,0,0|2,0,0]=4 2654 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [1,1,0,0,0,0|2,0,0]=4 2655 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [1,1,0,0,0,0|2,0,0]=4 2656 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [1,1,0,0,0,0|2,0,0]=4 2657 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [1,1,0,0,0,0|2,0,0]=4 2658 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [1,1,0,0,0,0|2,0,0]=4 2659 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [1,1,0,0,0,0|2,0,0]=4 2660 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [1,1,0,0,0,0|2,0,0]=4 2661 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,1,0,0,0,0|1,0,0]=3 2662 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [1,1,0,0,0,0|2,0,0]=4 2663 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [1,1,0,0,0,0|2,0,0]=4 2664 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [1,1,0,0,0,0|2,0,0]=4 2665 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [1,1,0,0,0,0|2,0,0]=4 2666 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [1,1,0,0,0,0|2,0,0]=4 2667 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [1,1,0,0,0,0|2,0,0]=4 2668 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [1,1,0,0,0,0|2,0,0]=4 2669 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,1,0,0,0,0|2,0,0]=4 2670 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,1,0,0,0,0|2,0,0]=4 2671 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,1,0,0,0,0|2,0,0]=4 2672 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [1,1,0,0,0,0|2,0,0]=4 2673 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [1,1,0,0,0,0|2,0,0]=4 2674 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [1,1,0,0,0,0|2,0,0]=4 2675 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [1,1,0,0,0,0|2,0,0]=4 2676 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,1,0,0,0,0|1,0,1]=4 2677 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,1,0,0,0,0|1,0,1]=4 2678 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,1,0,0,0,0|1,0,1]=4 2679 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [1,1,0,0,0,0|1,0,1]=4 2680 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [1,1,0,0,0,0|1,0,1]=4 2681 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [1,1,0,0,0,0|1,0,1]=4 2682 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [1,1,0,0,0,0|1,0,1]=4 2683 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [1,1,0,0,0,0|0,0,2]=4 2684 B8R0.7 C#CCNCOC(=O)C 34a_100000212058_100009813279 [1,1,0,0,0,0|0,0,2]=4 2685 B8R0.7 C#CCOCCC(C)C 34a_100000210247_100000210312 [1,1,0,0,0,0|0,0,2]=4 2686 B8R0.7 C#CCOCCC(C)C 34a_100000210254_100000184674 [1,1,0,0,0,0|0,0,2]=4 2687 B8R0.7 C#CCOCCC(C)C 7a_100000210254_100000038162 [1,1,0,0,0,0|0,0,2]=4 2688 B8R0.7 C#CCOCOC(=O)C 34a_100000210247_100009813279 [1,1,0,0,0,0|0,0,2]=4 2689 B8R0.7 C#CCSCOC(=O)C 62a_100000038162_100000076356 [1,1,0,0,0,0|0,0,2]=4 2690 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [1,1,0,0,0,0|1,0,0]=3 2691 B8R0.7 C/C=C/CNCC(C)C 34a_100000210953_100102629194 [1,1,0,0,0,0|1,0,0]=3 2692 B8R0.7 C/C=C/CNCC(C)O 34a_100000210904_100102629194 [1,1,0,0,0,0|2,0,0]=4 2693 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [1,1,0,0,0,0|0,0,2]=4 2694 B8R0.7 C/C=C/COCC(C)Br 34a_100012180447_100102629194 [1,1,0,0,0,0|2,0,0]=4 2695 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [1,1,0,0,0,0|1,0,0]=3 2696 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [1,1,0,0,0,0|1,0,0]=3 2697 B8R0.7 C/C=C/COCC(C)F 34a_100015925927_100102629194 [1,1,0,0,0,0|2,0,0]=4 2698 B8R0.7 C/C=C/COCC(C)O 34a_100016270725_100011218427 [1,1,0,0,0,0|2,0,0]=4 2699 B8R0.7 C/C=C/COC[C@@H](C)Cl 34a_100016084084_100102629194 [1,1,0,0,0,0|2,0,0]=4 2700 B8R0.7 C/C=C/COC[C@@H](C)N 34a_100000737577_100102629194 [1,1,0,0,0,0|2,0,0]=4 2701 B8R0.7 C/C=C/COC[C@@H](C)O 34a_100016270725_100009817552 [1,1,0,0,0,0|2,0,0]=4 2702 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [1,1,0,0,0,0|1,0,0]=3 2703 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [1,1,0,0,0,0|1,0,0]=3 2704 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [1,1,0,0,0,0|2,0,0]=4 2705 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [1,1,0,0,0,0|2,0,0]=4 2706 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [1,1,0,0,0,0|2,0,0]=4 2707 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [1,1,0,0,0,0|2,0,0]=4 2708 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [1,1,0,0,0,0|0,0,2]=4 2709 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|2,0,0]=4 2710 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|2,0,0]=4 2711 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,1,0,0,0,0|2,0,0]=4 2712 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,1,0,0,0,0|2,0,0]=4 2713 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,1,0,0,0,0|2,0,0]=4 2714 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,1,0,0,0,0|2,0,0]=4 2715 B8R0.7 C=C(C)COCCCBr 34a_100011217188_100000748629 [1,1,0,0,0,0|2,0,0]=4 2716 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|1,0,0]=3 2717 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|1,0,0]=3 2718 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|1,0,0]=3 2719 B8R0.7 C=C(C)COCCCCl 34a_100000230001_100000748629 [1,1,0,0,0,0|2,0,0]=4 2720 B8R0.7 C=C(C)COCCCF 34a_100000210245_100011934791 [1,1,0,0,0,0|2,0,0]=4 2721 B8R0.7 C=C(C)COCCCF 34a_100000759539_100000748629 [1,1,0,0,0,0|2,0,0]=4 2722 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [1,1,0,0,0,0|2,0,0]=4 2723 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [1,1,0,0,0,0|2,0,0]=4 2724 B8R0.7 C=C(C)COCCOC 34a_100000210237_100000748629 [1,1,0,0,0,0|2,0,0]=4 2725 B8R0.7 C=C(C)COCCOC 34a_100000210245_100011201679 [1,1,0,0,0,0|2,0,0]=4 2726 B8R0.7 C=C(C)COCCSC 34a_100000210245_100000212216 [1,1,0,0,0,0|2,0,0]=4 2727 B8R0.7 C=C(C)COCCSC 34a_100000230434_100000748629 [1,1,0,0,0,0|2,0,0]=4 2728 B8R0.7 C=C(C)COCCSC 7a_100000230434_100000748629 [1,1,0,0,0,0|2,0,0]=4 2729 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,1,0,0,0,0|1,1,0]=4 2730 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,1,0,0,0,0|1,1,0]=4 2731 B8R0.7 C=C(F)COCCCC 34a_100000210227_100009893438 [1,1,0,0,0,0|1,0,1]=4 2732 B8R0.7 C=C(F)COCCCC 34a_200010262243_100000210210 [1,1,0,0,0,0|1,0,1]=4 2733 B8R0.7 C=C(F)COCCCC 7a_100000210227_100000042424 [1,1,0,0,0,0|1,0,1]=4 2734 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,1,0,0,0,0|1,0,1]=4 2735 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,1,0,0,0,0|1,0,1]=4 2736 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,1,0,0,0,0|1,0,1]=4 2737 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [1,1,0,0,0,0|1,0,1]=4 2738 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [1,1,0,0,0,0|1,0,1]=4 2739 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [1,1,0,0,0,0|1,0,1]=4 2740 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [1,1,0,0,0,0|1,0,1]=4 2741 B8R0.7 C=CCCCNC(C)C 2230a_100000700776_100000210206 [1,1,0,0,0,0|1,0,1]=4 2742 B8R0.7 C=CCCCNC(C)C 2230a_100138425928_100011713584 [1,1,0,0,0,0|1,0,1]=4 2743 B8R0.7 C=CCCCNC(C)C 34a_100000700776_100000210206 [1,1,0,0,0,0|1,0,1]=4 2744 B8R0.7 C=CCCCNC(C)C 34a_100138425928_100000757094 [1,1,0,0,0,0|1,0,1]=4 2745 B8R0.7 C=CCCCOC(C)C 34a_100000212225_100000757094 [1,1,0,0,0,0|1,0,1]=4 2746 B8R0.7 C=CCCCOC(C)C 34a_100000758997_100000210206 [1,1,0,0,0,0|1,0,1]=4 2747 B8R0.7 C=CCCCOC(C)C 7a_100000758997_100000210206 [1,1,0,0,0,0|1,0,1]=4 2748 B8R0.7 C=CCCCSC(C)C 62a_100000210206_100000757094 [1,1,0,0,0,0|1,0,1]=4 2749 B8R0.7 C=CCCCSC(C)C 62a_100011713584_100000210206 [1,1,0,0,0,0|1,0,1]=4 2750 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [1,1,0,0,0,0|1,0,1]=4 2751 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [1,1,0,0,0,0|1,0,1]=4 2752 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [1,1,0,0,0,0|1,0,1]=4 2753 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [1,1,0,0,0,0|1,0,1]=4 2754 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [1,1,0,0,0,0|0,0,2]=4 2755 B8R0.7 C=CCCOCC(C)C 34a_100000210257_100000754431 [1,1,0,0,0,0|1,0,1]=4 2756 B8R0.7 C=CCCOCC(C)C 34a_100011205117_100000210624 [1,1,0,0,0,0|1,0,1]=4 2757 B8R0.7 C=CCCSCC(C)C 62a_100000210624_100000754431 [1,1,0,0,0,0|1,0,1]=4 2758 B8R0.7 C=CCCSCC(C)C 62a_100000754431_100000210760 [1,1,0,0,0,0|1,0,1]=4 2759 B8R0.7 C=CCNCCC(C)C 2230a_100020586998_100000210312 [1,1,0,0,0,0|1,0,1]=4 2760 B8R0.7 C=CCOCCC(C)Br 34a_100009893172_100015514636 [1,1,0,0,0,0|1,0,1]=4 2761 B8R0.7 C=CCOCCC(C)C 34a_100000210254_100015514636 [1,1,0,0,0,0|0,0,1]=3 2762 B8R0.7 C=CCOCCC(C)C 34a_200000210373_100000210312 [1,1,0,0,0,0|0,0,1]=3 2763 B8R0.7 C=CCOCCC(C)C 7a_100000210254_100015514636 [1,1,0,0,0,0|0,0,1]=3 2764 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [1,1,0,0,0,0|1,0,1]=4 2765 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [1,1,0,0,0,0|1,0,1]=4 2766 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [1,1,0,0,0,0|0,0,2]=4 2767 B8R0.7 C=CCOCOC(C)C 34a_200000210373_100000709892 [1,1,0,0,0,0|1,0,1]=4 2768 B8R0.7 C=CCSCCC(C)C 62a_100000210312_100000210623 [1,1,0,0,0,0|0,1,1]=4 2769 B8R0.7 C=CCSCCC(C)C 62a_100000210623_100000210312 [1,1,0,0,0,0|0,1,1]=4 2770 B8R0.7 C=CCSCOC(=O)C 62a_100000076356_100000210623 [1,1,0,0,0,0|0,0,2]=4 2771 B8R0.7 C=CCSCOC(=O)C 62a_100000210623_100000076356 [1,1,0,0,0,0|0,0,2]=4 2772 B8R0.7 C=COCCNC(C)C 2230a_100138425928_100000039644 [1,1,0,0,0,0|0,0,1]=3 2773 B8R0.7 C=COCCNC(C)C 34a_100138425928_100000039644 [1,1,0,0,0,0|0,0,1]=3 2774 B8R0.7 C=COCCOC(C)C 34a_100000033082_100000210206 [1,1,0,0,0,0|0,0,1]=3 2775 B8R0.7 C=COCCOC(C)C 34a_100000212225_100000039644 [1,1,0,0,0,0|0,0,1]=3 2776 B8R0.7 C=COCCSC(C)C 62a_100000039644_100000210206 [1,1,0,0,0,0|0,0,1]=3 2777 B8R0.7 C=COCCSC(C)C 62a_100000210206_100000039644 [1,1,0,0,0,0|0,0,1]=3 2778 B8R0.7 CC#CCCOC(C)C 34a_100000750427_100000210206 [1,1,0,0,0,0|1,0,1]=4 2779 B8R0.7 CC#CCNCC(C)C 2230a_100000210953_100000748600 [1,1,0,0,0,0|1,0,1]=4 2780 B8R0.7 CC#CCNCC(C)C 2230a_100000685387_100000210760 [1,1,0,0,0,0|1,0,1]=4 2781 B8R0.7 CC#CCNCC(C)C 34a_100000210953_100000748600 [1,1,0,0,0,0|1,0,1]=4 2782 B8R0.7 CC#CCNCC(C)C 34a_100000685387_100000210624 [1,1,0,0,0,0|1,0,1]=4 2783 B8R0.7 CC#CCOCC(=O)C 34a_100000211253_100000748600 [1,1,0,0,0,0|0,0,2]=4 2784 B8R0.7 CC#CCOCC(C)C 34a_100000210257_100000748600 [1,1,0,0,0,0|1,0,1]=4 2785 B8R0.7 CC#CCOCC(C)C 34a_100000761923_100000210624 [1,1,0,0,0,0|1,0,1]=4 2786 B8R0.7 CC#CCSCC(C)C 62a_100000210624_100000748600 [1,1,0,0,0,0|1,0,1]=4 2787 B8R0.7 CC#CCSCC(C)C 62a_100000748600_100000210760 [1,1,0,0,0,0|1,0,1]=4 2788 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [1,1,0,0,0,0|0,0,2]=4 2789 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,1,0,0,0,0|1,0,1]=4 2790 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,0,0,0,0|1,0,0]=3 2791 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|1,0,0]=3 2792 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|1,0,0]=3 2793 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,0,0]=3 2794 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,0,0]=3 2795 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,1,0,0,0,0|2,0,0]=4 2796 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,1,0,0,0,0|2,0,0]=4 2797 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,1,0,0,0,0|2,0,0]=4 2798 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,1,0,0,0,0|2,0,0]=4 2799 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,1,0,0,0,0|1,0,1]=4 2800 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,1,0,0,0,0|1,0,1]=4 2801 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 2802 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,1,0,0,0,0|2,0,0]=4 2803 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,1,0,0,0,0|2,0,0]=4 2804 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,1,0,0,0,0|2,0,0]=4 2805 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,1,0,0,0,0|2,0,0]=4 2806 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,1,0,0,0,0|2,0,0]=4 2807 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,1,0,0,0,0|2,0,0]=4 2808 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,1,0,0,0,0|2,0,0]=4 2809 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,1,0,0,0,0|2,0,0]=4 2810 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,1,0,0,0,0|2,0,0]=4 2811 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,1,0,0,0,0|1,0,0]=3 2812 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,1,0,0,0,0|1,0,0]=3 2813 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,1,0,0,0,0|1,0,0]=3 2814 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,1,0,0,0,0|1,0,0]=3 2815 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,1,0,0,0,0|1,0,0]=3 2816 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,1,0,0,0,0|1,0,0]=3 2817 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [1,1,0,0,0,0|2,0,0]=4 2818 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [1,1,0,0,0,0|2,0,0]=4 2819 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [1,1,0,0,0,0|2,0,0]=4 2820 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,1,0,0,0,0|0,0,0]=2 2821 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,1,0,0,0,0|0,0,0]=2 2822 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [1,1,0,0,0,0|1,0,0]=3 2823 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [1,1,0,0,0,0|1,0,0]=3 2824 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [1,1,0,0,0,0|1,0,0]=3 2825 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [1,1,0,0,0,0|1,0,0]=3 2826 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [1,1,0,0,0,0|1,0,0]=3 2827 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [1,1,0,0,0,0|1,0,0]=3 2828 B8R0.7 CC(=O)OCSCC#N 62a_100000076356_100011215382 [1,1,0,0,0,0|1,0,1]=4 2829 B8R0.7 CC(=O)OCSCC#N 62a_100011215382_100000076356 [1,1,0,0,0,0|1,0,1]=4 2830 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [1,1,0,0,0,0|1,0,1]=4 2831 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [1,1,0,0,0,0|1,0,1]=4 2832 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [1,1,0,0,0,0|1,0,0]=3 2833 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [1,1,0,0,0,0|1,0,0]=3 2834 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [1,1,0,0,0,0|1,0,0]=3 2835 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [1,1,0,0,0,0|1,0,0]=3 2836 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,1,0,0,0,0|0,1,0]=3 2837 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,1,0,0,0,0|0,1,0]=3 2838 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [1,1,0,0,0,0|0,1,0]=3 2839 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [1,1,0,0,0,0|0,1,0]=3 2840 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [1,1,0,0,0,0|1,0,0]=3 2841 B8R0.7 CC(Br)CCOCCF 34a_100009893172_100011217306 [1,1,0,0,0,0|1,0,1]=4 2842 B8R0.7 CC(Br)CCOCCO 34a_100009893172_100000211926 [1,1,0,0,0,0|1,0,1]=4 2843 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,1,0,0,0,0|1,0,1]=4 2844 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,1,0,0,0,0|1,0,1]=4 2845 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|1,0,1]=4 2846 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|1,0,1]=4 2847 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [1,1,0,0,0,0|2,0,0]=4 2848 B8R0.7 CC(C)CCCOCF 34a_100000210774_100015361967 [1,1,0,0,0,0|1,0,1]=4 2849 B8R0.7 CC(C)CCCOCF 7a_100000210774_100015361967 [1,1,0,0,0,0|1,0,1]=4 2850 B8R0.7 CC(C)CCCSCF 62a_100011214892_100015361967 [1,1,0,0,0,0|2,0,0]=4 2851 B8R0.7 CC(C)CCCSCF 62a_100015361967_100011214892 [1,1,0,0,0,0|2,0,0]=4 2852 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [1,1,0,0,0,0|1,0,1]=4 2853 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [1,1,0,0,0,0|1,0,1]=4 2854 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [1,1,0,0,0,0|1,0,1]=4 2855 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [1,1,0,0,0,0|1,0,1]=4 2856 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [1,1,0,0,0,0|1,0,1]=4 2857 B8R0.7 CC(C)CCOCC#N 7a_100000210254_100011215382 [1,1,0,0,0,0|0,0,2]=4 2858 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [1,1,0,0,0,0|0,0,0]=2 2859 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [1,1,0,0,0,0|0,0,0]=2 2860 B8R0.7 CC(C)CCOCCBr 34a_100000211926_100000210312 [1,1,0,0,0,0|0,0,1]=3 2861 B8R0.7 CC(C)CCOCCF 34a_100000210254_100011217306 [1,1,0,0,0,0|0,0,1]=3 2862 B8R0.7 CC(C)CCOCCF 7a_100000210254_100011217306 [1,1,0,0,0,0|0,0,1]=3 2863 B8R0.7 CC(C)CCOCCN 34a_100000210304_100000210312 [1,1,0,0,0,0|0,0,1]=3 2864 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [1,1,0,0,0,0|0,0,1]=3 2865 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [1,1,0,0,0,0|0,0,1]=3 2866 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [1,1,0,0,0,0|0,1,0]=3 2867 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [1,1,0,0,0,0|0,1,0]=3 2868 B8R0.7 CC(C)CCSCCF 62a_100000210312_100011217306 [1,1,0,0,0,0|0,1,1]=4 2869 B8R0.7 CC(C)CCSCCF 62a_100011217306_100000210312 [1,1,0,0,0,0|0,1,1]=4 2870 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [1,1,0,0,0,0|0,1,1]=4 2871 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [1,1,0,0,0,0|0,1,1]=4 2872 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [1,1,0,0,0,0|2,0,0]=4 2873 B8R0.7 CC(C)COCCO[13CH3] 34a_100000703358_200025704644 [1,1,0,0,0,0|2,0,0]=4 2874 B8R0.7 CC(C)COCCO[13CH3] 7a_100000703358_200025704644 [1,1,0,0,0,0|2,0,0]=4 2875 B8R0.7 CC(C)CSCCO[13CH3] 34a_200000230437_200025704644 [1,1,0,0,0,0|2,0,0]=4 2876 B8R0.7 CC(C)CSCCO[13CH3] 7a_200000230437_200025704644 [1,1,0,0,0,0|2,0,0]=4 2877 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [1,1,0,0,0,0|1,0,0]=3 2878 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [1,1,0,0,0,0|2,0,0]=4 2879 B8R0.7 CC(C)NCCOCF 34a_100000224655_100015361967 [1,1,0,0,0,0|1,0,1]=4 2880 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [1,1,0,0,0,0|1,0,1]=4 2881 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [1,1,0,0,0,0|1,0,1]=4 2882 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [1,1,0,0,0,0|1,0,1]=4 2883 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [1,1,0,0,0,0|1,0,1]=4 2884 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [1,1,0,0,0,0|1,0,1]=4 2885 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [1,1,0,0,0,0|1,0,1]=4 2886 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [1,1,0,0,0,0|1,0,1]=4 2887 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [1,1,0,0,0,0|1,0,1]=4 2888 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [1,1,0,0,0,0|1,0,1]=4 2889 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [1,1,0,0,0,0|1,0,1]=4 2890 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [1,1,0,0,0,0|1,0,1]=4 2891 B8R0.7 CC(C)OCCOCF 34a_100000211219_100015361967 [1,1,0,0,0,0|1,0,1]=4 2892 B8R0.7 CC(C)OCCOCF 7a_100000211219_100015361967 [1,1,0,0,0,0|1,0,1]=4 2893 B8R0.7 CC(C)OCOCCBr 34a_100000211926_100000709892 [1,1,0,0,0,0|1,0,1]=4 2894 B8R0.7 CC(C)OCOCCN 34a_100000210304_100000709892 [1,1,0,0,0,0|1,0,1]=4 2895 B8R0.7 CC(C)OCSCC=O 62a_100000709892_200015260668 [1,1,0,0,0,0|1,1,0]=4 2896 B8R0.7 CC(C)OCSCC=O 62a_200015260668_100000709892 [1,1,0,0,0,0|1,1,0]=4 2897 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [1,1,0,0,0,0|1,0,0]=3 2898 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [1,1,0,0,0,0|1,0,0]=3 2899 B8R0.7 CC(C)SCCOCF 34a_200011212901_100015361967 [1,1,0,0,0,0|1,0,1]=4 2900 B8R0.7 CC(C)SCCOCF 7a_200011212901_100015361967 [1,1,0,0,0,0|1,0,1]=4 2901 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [1,1,0,0,0,0|2,0,0]=4 2902 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [1,1,0,0,0,0|1,0,1]=4 2903 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [1,1,0,0,0,0|1,0,1]=4 2904 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [1,1,0,0,0,0|1,1,0]=4 2905 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [1,1,0,0,0,0|1,1,0]=4 2906 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|1,0,1]=4 2907 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [1,1,0,0,0,0|2,0,0]=4 2908 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [1,1,0,0,0,0|2,0,0]=4 2909 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [1,1,0,0,0,0|2,0,0]=4 2910 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [1,1,0,0,0,0|2,0,0]=4 2911 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [1,1,0,0,0,0|2,0,0]=4 2912 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [1,1,0,0,0,0|2,0,0]=4 2913 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [1,1,0,0,0,0|2,0,0]=4 2914 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [1,1,0,0,0,0|2,0,0]=4 2915 B8R0.7 CC=CCNCC(C)C 2230a_100000210953_100000070051 [1,1,0,0,0,0|1,0,0]=3 2916 B8R0.7 CC=CCNCC(C)C 34a_100000210953_100000070051 [1,1,0,0,0,0|1,0,0]=3 2917 B8R0.7 CC=CCNCC(C)O 2230a_100000210904_100000070051 [1,1,0,0,0,0|2,0,0]=4 2918 B8R0.7 CC=CCNCC(C)O 34a_100000210904_100000070051 [1,1,0,0,0,0|2,0,0]=4 2919 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [1,1,0,0,0,0|0,0,2]=4 2920 B8R0.7 CC=CCOCC(C)Br 34a_100012180447_100000070051 [1,1,0,0,0,0|2,0,0]=4 2921 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [1,1,0,0,0,0|1,0,0]=3 2922 B8R0.7 CC=CCOCC(C)F 34a_100015925927_100000070051 [1,1,0,0,0,0|2,0,0]=4 2923 B8R0.7 CC=CCOC[C@@H](C)Cl 34a_100016084084_100000070051 [1,1,0,0,0,0|2,0,0]=4 2924 B8R0.7 CC=CCOC[C@@H](C)N 34a_100000737577_100000070051 [1,1,0,0,0,0|2,0,0]=4 2925 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [1,1,0,0,0,0|1,0,0]=3 2926 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [1,1,0,0,0,0|1,0,0]=3 2927 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [1,1,0,0,0,0|2,0,0]=4 2928 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [1,1,0,0,0,0|2,0,0]=4 2929 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [1,1,0,0,0,0|2,0,0]=4 2930 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [1,1,0,0,0,0|2,0,0]=4 2931 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,1,0,0,0,0|1,0,1]=4 2932 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,1,0,0,0,0|1,0,1]=4 2933 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [1,1,0,0,0,0|1,0,1]=4 2934 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|1,0,0]=3 2935 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|1,0,0]=3 2936 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|1,0,0]=3 2937 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|1,0,0]=3 2938 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|1,0,0]=3 2939 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 2940 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 2941 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,0]=3 2942 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,0]=3 2943 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,1,0,0,0,0|1,0,1]=4 2944 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,1,0,0,0,0|1,0,1]=4 2945 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,1,0,0,0,0|1,0,1]=4 2946 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,1,0,0,0,0|1,0,1]=4 2947 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,1,0,0,0,0|1,0,1]=4 2948 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,1,0,0,0,0|1,0,1]=4 2949 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,1,0,0,0,0|1,0,1]=4 2950 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,1,0,0,0,0|1,0,1]=4 2951 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,1,0,0,0,0|2,0,0]=4 2952 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,1,0,0,0,0|2,0,0]=4 2953 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,1,0,0,0,0|2,0,0]=4 2954 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|2,0,0]=4 2955 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,1,0,0,0,0|1,0,1]=4 2956 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,1,0,0,0,0|1,0,1]=4 2957 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,1,0,0,0,0|1,0,1]=4 2958 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,1,0,0,0,0|1,0,1]=4 2959 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,1,0,0,0,0|1,0,1]=4 2960 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,1,0,0,0,0|1,0,0]=3 2961 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|0,0,0]=2 2962 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|0,0,0]=2 2963 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|0,0,0]=2 2964 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,1,0,0,0,0|1,0,0]=3 2965 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,1,0,0,0,0|1,0,0]=3 2966 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|0,0,0]=2 2967 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,1,0,0,0,0|1,0,0]=3 2968 B8R0.7 CCCCOCC(C)Br 34a_100012180447_100000210210 [1,1,0,0,0,0|1,0,1]=4 2969 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,1,0,0,0,0|1,0,1]=4 2970 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,1,0,0,0,0|1,0,1]=4 2971 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,1,0,0,0,0|1,0,1]=4 2972 B8R0.7 CCCCOCC(C)F 34a_100015925927_100000210210 [1,1,0,0,0,0|1,0,1]=4 2973 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,1,0,0,0,0|0,0,2]=4 2974 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,1,0,0,0,0|0,0,2]=4 2975 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [1,1,0,0,0,0|2,0,0]=4 2976 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [1,1,0,0,0,0|2,0,0]=4 2977 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [1,1,0,0,0,0|1,0,1]=4 2978 B8R0.7 CCCCOC[C@@H](C)N 34a_100000737577_100000210210 [1,1,0,0,0,0|1,0,1]=4 2979 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,1,0,0,0,0|0,0,2]=4 2980 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,1,0,0,0,0|0,0,2]=4 2981 B8R0.7 CCCCOC[N+](=O)[O-] 34a_100000210227_100000761209 [1,1,0,0,0,0|2,0,0]=4 2982 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|0,1,0]=3 2983 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,1,0,0,0,0|1,1,0]=4 2984 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,1,0,0,0,0|1,1,0]=4 2985 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|0,1,0]=3 2986 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,1,0,0,0,0|1,1,0]=4 2987 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,1,0,0,0,0|1,1,0]=4 2988 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,1,0,0,0,0|1,0,1]=4 2989 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,1,0,0,0,0|1,0,1]=4 2990 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [1,1,0,0,0,0|2,0,0]=4 2991 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [1,1,0,0,0,0|1,0,1]=4 2992 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [1,1,0,0,0,0|2,0,0]=4 2993 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,1,0,0,0,0|2,0,0]=4 2994 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,1,0,0,0,0|2,0,0]=4 2995 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|1,0,0]=3 2996 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|1,0,0]=3 2997 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|1,0,0]=3 2998 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,1,0,0,0,0|2,0,0]=4 2999 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,1,0,0,0,0|2,0,0]=4 3000 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,1,0,0,0,0|2,0,0]=4 3001 B8R0.7 CCCOCCC(C)Br 34a_100009893172_100000210303 [1,1,0,0,0,0|1,0,1]=4 3002 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,1,0,0,0,0|0,0,1]=3 3003 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,1,0,0,0,0|0,0,1]=3 3004 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,1,0,0,0,0|0,0,1]=3 3005 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,1,0,0,0,0|1,0,1]=4 3006 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [1,1,0,0,0,0|1,0,1]=4 3007 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [1,1,0,0,0,0|1,0,1]=4 3008 B8R0.7 CCCOCC[C@@H](C)N 34a_100000706166_100000210303 [1,1,0,0,0,0|1,0,1]=4 3009 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,1,0,0,0,0|0,0,0]=2 3010 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [1,1,0,0,0,0|1,0,1]=4 3011 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [1,1,0,0,0,0|2,0,0]=4 3012 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [1,1,0,0,0,0|2,0,0]=4 3013 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|1,0,0]=3 3014 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|1,0,0]=3 3015 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,1,0,0,0,0|2,0,0]=4 3016 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,1,0,0,0,0|2,0,0]=4 3017 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [1,1,0,0,0,0|0,1,1]=4 3018 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [1,1,0,0,0,0|0,1,1]=4 3019 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,1,0,0,0,0|0,0,0]=2 3020 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,1,0,0,0,0|0,0,0]=2 3021 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [1,1,0,0,0,0|1,0,1]=4 3022 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [1,1,0,0,0,0|1,0,1]=4 3023 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [1,1,0,0,0,0|2,0,0]=4 3024 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,1,0,0,0,0|2,0,0]=4 3025 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [1,1,0,0,0,0|1,0,1]=4 3026 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [1,1,0,0,0,0|1,0,1]=4 3027 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [1,1,0,0,0,0|1,0,1]=4 3028 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,1,0,0,0,0|2,0,0]=4 3029 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,1,0,0,0,0|1,0,0]=3 3030 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,1,0,0,0,0|1,0,0]=3 3031 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [1,1,0,0,0,0|2,0,0]=4 3032 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [1,1,0,0,0,0|2,0,0]=4 3033 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [1,1,0,0,0,0|1,0,1]=4 3034 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [1,1,0,0,0,0|1,0,1]=4 3035 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [1,1,0,0,0,0|1,0,1]=4 3036 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [1,1,0,0,0,0|1,0,1]=4 3037 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [1,1,0,0,0,0|1,0,1]=4 3038 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [1,1,0,0,0,0|1,0,1]=4 3039 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,1,0,0,0,0|0,0,2]=4 3040 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|1,0,0]=3 3041 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|1,0,0]=3 3042 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|1,0,0]=3 3043 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|1,0,0]=3 3044 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,1,0,0,0,0|2,0,0]=4 3045 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,1,0,0,0,0|0,0,1]=3 3046 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,1,0,0,0,0|0,0,1]=3 3047 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,1,0,0,0,0|0,0,1]=3 3048 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|1,0,1]=4 3049 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [1,1,0,0,0,0|1,0,1]=4 3050 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [1,1,0,0,0,0|1,0,1]=4 3051 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,1,0,0,0,0|1,0,0]=3 3052 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,1,0,0,0,0|1,0,0]=3 3053 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,1,0,0,0,0|1,0,0]=3 3054 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,1,0,0,0,0|1,0,0]=3 3055 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,1,0,0,0,0|1,0,0]=3 3056 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [1,1,0,0,0,0|2,0,0]=4 3057 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [1,1,0,0,0,0|0,0,1]=3 3058 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [1,1,0,0,0,0|0,0,1]=3 3059 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [1,1,0,0,0,0|0,0,1]=3 3060 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [1,1,0,0,0,0|0,0,1]=3 3061 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [1,1,0,0,0,0|0,0,1]=3 3062 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,1,0,0,0,0|0,0,0]=2 3063 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,1,0,0,0,0|1,0,0]=3 3064 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,1,0,0,0,0|1,0,0]=3 3065 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [1,1,0,0,0,0|0,0,1]=3 3066 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [1,1,0,0,0,0|0,0,1]=3 3067 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [1,1,0,0,0,0|0,0,1]=3 3068 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [1,1,0,0,0,0|0,0,1]=3 3069 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [1,1,0,0,0,0|0,0,1]=3 3070 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [1,1,0,0,0,0|0,0,1]=3 3071 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [1,1,0,0,0,0|0,0,1]=3 3072 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [1,1,0,0,0,0|0,0,1]=3 3073 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [1,1,0,0,0,0|0,0,1]=3 3074 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [1,1,0,0,0,0|0,0,1]=3 3075 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [1,1,0,0,0,0|0,0,1]=3 3076 B8R0.7 CCOCSCC(C)C 62a_100000210624_100000739092 [1,1,0,0,0,0|0,0,1]=3 3077 B8R0.7 CCOCSCC(C)C 62a_100000739092_100000210760 [1,1,0,0,0,0|0,0,1]=3 3078 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [1,1,0,0,0,0|1,0,1]=4 3079 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [1,1,0,0,0,0|1,0,1]=4 3080 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [1,1,0,0,0,0|1,0,1]=4 3081 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [1,1,0,0,0,0|1,0,1]=4 3082 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,1,0,0,0,0|2,0,0]=4 3083 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,1,0,0,0,0|2,0,0]=4 3084 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|1,0,0]=3 3085 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|1,0,0]=3 3086 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,1,0,0,0,0|2,0,0]=4 3087 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,1,0,0,0,0|2,0,0]=4 3088 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [1,1,0,0,0,0|0,1,1]=4 3089 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [1,1,0,0,0,0|0,1,1]=4 3090 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,1,0,0,0,0|1,0,0]=3 3091 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,1,0,0,0,0|1,0,0]=3 3092 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,1,0,0,0,0|1,0,0]=3 3093 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,1,0,0,0,0|1,0,0]=3 3094 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,1,0,0,0,0|1,0,0]=3 3095 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,1,0,0,0,0|1,0,0]=3 3096 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [1,1,0,0,0,0|2,0,0]=4 3097 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [1,1,0,0,0,0|2,0,0]=4 3098 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [1,1,0,0,0,0|0,1,1]=4 3099 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [1,1,0,0,0,0|0,1,1]=4 3100 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [1,1,0,0,0,0|0,1,1]=4 3101 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,1,0,0,0,0|0,0,0]=2 3102 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,1,0,0,0,0|0,0,0]=2 3103 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,1,0,0,0,0|1,0,0]=3 3104 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,1,0,0,0,0|1,0,0]=3 3105 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [1,1,0,0,0,0|0,1,1]=4 3106 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [1,1,0,0,0,0|0,1,1]=4 3107 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [1,1,0,0,0,0|0,1,1]=4 3108 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [1,1,0,0,0,0|0,1,1]=4 3109 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [1,1,0,0,0,0|0,1,1]=4 3110 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [1,1,0,0,0,0|0,1,1]=4 3111 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [1,1,0,0,0,0|0,1,1]=4 3112 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [1,1,0,0,0,0|0,1,1]=4 3113 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [1,1,0,0,0,0|0,1,1]=4 3114 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [1,1,0,0,0,0|2,0,0]=4 3115 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [1,1,0,0,0,0|2,0,0]=4 3116 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [1,1,0,0,0,0|1,0,1]=4 3117 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [1,1,0,0,0,0|1,0,1]=4 3118 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [1,1,0,0,0,0|1,0,1]=4 3119 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [1,1,0,0,0,0|1,0,1]=4 3120 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [1,1,0,0,0,0|1,1,0]=4 3121 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [1,1,0,0,0,0|1,0,1]=4 3122 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [1,1,0,0,0,0|1,0,1]=4 3123 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|1,0,0]=3 3124 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|1,0,0]=3 3125 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,1,0,0,0,0|2,0,0]=4 3126 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 3127 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,1,0,0,0,0|1,0,1]=4 3128 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,1,0,0,0,0|1,0,1]=4 3129 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,1,0,0,0,0|1,0,0]=3 3130 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,1,0,0,0,0|0,0,0]=2 3131 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,1,0,0,0,0|0,0,0]=2 3132 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [1,1,0,0,0,0|0,1,0]=3 3133 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [1,1,0,0,0,0|0,1,0]=3 3134 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [1,1,0,0,0,0|0,1,0]=3 3135 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [1,1,0,0,0,0|1,0,1]=4 3136 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [1,1,0,0,0,0|1,0,1]=4 3137 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [1,1,0,0,0,0|1,0,1]=4 3138 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,1,0,0,0,0|0,1,0]=3 3139 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,1,0,0,0,0|0,1,0]=3 3140 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,1,0,0,0,0|0,1,0]=3 3141 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [1,1,0,0,0,0|2,0,0]=4 3142 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [1,1,0,0,0,0|2,0,0]=4 3143 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [1,1,0,0,0,0|2,0,0]=4 3144 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,1,0,0,0,0|2,0,0]=4 3145 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|1,0,0]=3 3146 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|1,0,0]=3 3147 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,1,0,0,0,0|2,0,0]=4 3148 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,1,0,0,0,0|2,0,0]=4 3149 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,1,0,0,0,0|1,0,1]=4 3150 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,1,0,0,0,0|1,0,1]=4 3151 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,1,0,0,0,0|1,0,1]=4 3152 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,1,0,0,0,0|1,0,0]=3 3153 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,1,0,0,0,0|1,0,0]=3 3154 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,1,0,0,0,0|1,0,0]=3 3155 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,1,0,0,0,0|1,0,0]=3 3156 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [1,1,0,0,0,0|2,0,0]=4 3157 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [1,1,0,0,0,0|2,0,0]=4 3158 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [1,1,0,0,0,0|2,0,0]=4 3159 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [1,1,0,0,0,0|2,0,0]=4 3160 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,1,0,0,0,0|0,0,0]=2 3161 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [1,1,0,0,0,0|0,1,0]=3 3162 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [1,1,0,0,0,0|1,0,1]=4 3163 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [1,1,0,0,0,0|1,0,1]=4 3164 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,1,0,0,0,0|0,1,0]=3 3165 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [1,1,0,0,0,0|2,0,0]=4 3166 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [1,1,0,0,0,0|2,0,0]=4 3167 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [1,1,0,0,0,0|2,0,0]=4 3168 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [1,1,0,0,0,0|2,0,0]=4 3169 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [1,1,0,0,0,0|2,0,0]=4 3170 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [1,1,0,0,0,0|2,0,0]=4 3171 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [1,1,0,0,0,0|2,0,0]=4 3172 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [1,1,0,0,0,0|2,0,0]=4 3173 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,1,0,0,0,0|1,0,0]=3 3174 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,1,0,0,0,0|1,0,0]=3 3175 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [1,1,0,0,0,0|2,0,0]=4 3176 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [1,1,0,0,0,0|2,0,0]=4 3177 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,1,0,0,0,0|1,0,0]=3 3178 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [1,1,0,0,0,0|2,0,0]=4 3179 B8R0.7 COCCOCC(C)C 34a_100000210237_100000210624 [1,1,0,0,0,0|2,0,0]=4 3180 B8R0.7 COCCOCC(C)C 34a_100000210257_100011201679 [1,1,0,0,0,0|2,0,0]=4 3181 B8R0.7 COCCOCC(C)C 34a_100000703358_200000210301 [1,1,0,0,0,0|2,0,0]=4 3182 B8R0.7 COCCOCC(C)C 7a_100000703358_200000210301 [1,1,0,0,0,0|2,0,0]=4 3183 B8R0.7 COCCSCC(C)C 34a_200000230437_200000210301 [1,1,0,0,0,0|2,0,0]=4 3184 B8R0.7 COCCSCC(C)C 62a_100000210624_100000233755 [1,1,0,0,0,0|2,0,0]=4 3185 B8R0.7 COCCSCC(C)C 62a_100000233755_100000210760 [1,1,0,0,0,0|2,0,0]=4 3186 B8R0.7 COCCSCC(C)C 7a_200000230437_200000210301 [1,1,0,0,0,0|2,0,0]=4 3187 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,1,0,0,0,0|2,0,0]=4 3188 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,1,0,0,0,0|2,0,0]=4 3189 B8R0.7 COCSCCC(C)C 62a_100000210312_100000766300 [1,1,0,0,0,0|0,1,1]=4 3190 B8R0.7 COCSCCC(C)C 62a_100000766300_100000210312 [1,1,0,0,0,0|0,1,1]=4 3191 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [1,1,0,0,0,0|1,0,0]=3 3192 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [1,1,0,0,0,0|1,0,0]=3 3193 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,0,0]=3 3194 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,0,0]=3 3195 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|1,0,1]=4 3196 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|1,0,1]=4 3197 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,1,0,0,0,0|1,0,0]=3 3198 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,1,0,0,0,0|1,0,0]=3 3199 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,1,0,0,0,0|1,0,0]=3 3200 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,1,0,0,0,0|1,0,0]=3 3201 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [1,1,0,0,0,0|2,0,0]=4 3202 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,1,0,0,0,0|0,0,0]=2 3203 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,1,0,0,0,0|0,0,0]=2 3204 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [1,1,0,0,0,0|0,1,0]=3 3205 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [1,1,0,0,0,0|0,1,0]=3 3206 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [1,1,0,0,0,0|1,0,1]=4 3207 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [1,1,0,0,0,0|1,0,1]=4 3208 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,1,0,0,0,0|0,1,0]=3 3209 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,1,0,0,0,0|0,1,0]=3 3210 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [1,1,0,0,0,0|2,0,0]=4 3211 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [1,1,0,0,0,0|2,0,0]=4 3212 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [1,1,0,0,0,0|2,0,0]=4 3213 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [1,1,0,0,0,0|2,0,0]=4 3214 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,1,0,0,0,0|1,0,0]=3 3215 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [1,1,0,0,0,0|2,0,0]=4 3216 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [1,1,0,0,0,0|2,0,0]=4 3217 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [1,1,0,0,0,0|2,0,0]=4 3218 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [1,1,0,0,0,0|2,0,0]=4 3219 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [1,1,0,0,0,0|2,0,0]=4 3220 B8R0.7 CSCCOCC(C)C 34a_100000210257_100000212216 [1,1,0,0,0,0|2,0,0]=4 3221 B8R0.7 CSCCOCC(C)C 34a_100000230434_100000210624 [1,1,0,0,0,0|2,0,0]=4 3222 B8R0.7 CSCCOCC(C)C 7a_100000230434_100000210760 [1,1,0,0,0,0|2,0,0]=4 3223 B8R0.7 CSCCSCC(C)C 62a_100000210624_100000751147 [1,1,0,0,0,0|2,0,0]=4 3224 B8R0.7 CSCCSCC(C)C 62a_100000212216_100000210760 [1,1,0,0,0,0|2,0,0]=4 3225 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,1,0,0,0,0|2,0,0]=4 3226 B8R0.7 CSCOCCC(C)Br 34a_100009893172_100011218213 [1,1,0,0,0,0|1,0,1]=4 3227 B8R0.7 CSCOCCC(C)C 34a_100000210254_100011218213 [1,1,0,0,0,0|0,0,1]=3 3228 B8R0.7 CSCOCC[C@@H](C)N 34a_100000706166_100011218213 [1,1,0,0,0,0|1,0,1]=4 3229 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,1,0,0,0,0|2,0,0]=4 3230 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,1,0,0,0,0|2,0,0]=4 3231 B8R0.7 CSCSCCC(C)C 62a_100000210312_100011218213 [1,1,0,0,0,0|0,1,1]=4 3232 B8R0.7 CSCSCCC(C)C 62a_100011218213_100000210312 [1,1,0,0,0,0|0,1,1]=4 3233 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [1,1,0,0,0,0|1,0,0]=3 3234 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [1,1,0,0,0,0|1,0,0]=3 3235 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [1,1,0,0,0,0|1,0,0]=3 3236 B8R0.7 C[C@@H](N)CCOCCF 34a_100000706166_100011217306 [1,1,0,0,0,0|1,0,1]=4 3237 B8R0.7 C[C@@H](N)CCOCCO 34a_100000706166_100000211926 [1,1,0,0,0,0|1,0,1]=4 3238 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [1,1,0,0,0,0|2,0,0]=4 3239 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [1,1,0,0,0,0|2,0,0]=4 3240 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [1,1,0,0,0,0|2,0,0]=4 3241 B8R0.7 NC(=O)OCCOCF 7a_100000766696_100015361967 [1,1,0,0,0,0|2,0,0]=4 3242 B8R0.7 NC(=O)OCCSCF 62a_100015361967_200011214921 [1,1,0,0,0,0|2,0,0]=4 3243 B8R0.7 NC(=O)OCCSCF 62a_200011214921_100015361967 [1,1,0,0,0,0|2,0,0]=4 3244 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,1,0,0,0,0|2,0,0]=4 3245 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,1,0,0,0,0|2,0,0]=4 3246 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [1,1,0,0,0,0|2,0,0]=4 3247 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [1,1,0,0,0,0|2,0,0]=4 3248 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [1,1,0,0,0,0|2,0,0]=4 3249 B8R0.7 O=CCOCCC(F)F 34a_100103093639_200009817547 [1,1,0,0,0,0|2,0,0]=4 3250 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|1,0,0]=3 3251 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,1,0,0,0,0|2,0,0]=4 3252 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,1,0,0,0,0|2,0,0]=4 3253 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,1,0,0,0,0|2,0,0]=4 3254 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,1,0,0,0,0|2,0,0]=4 3255 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,1,0,0,0,0|2,0,0]=4 3256 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [1,1,0,0,0,0|2,0,0]=4 3257 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [1,1,0,0,0,0|2,0,0]=4 3258 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [1,1,0,0,0,0|1,0,1]=4 3259 B8R0.8 C/C=C/CN(C)C(C)C 269982a_200000211004_100102629194 [1,1,0,0,0,0|2,0,0]=4 3260 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|2,0,0]=4 3261 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [1,1,0,0,0,0|2,0,0]=4 3262 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [1,1,0,0,0,0|2,0,0]=4 3263 B8R0.8 CC(C)C(C)NCC=O 2230a_100000211541_200015260668 [1,1,0,0,0,0|2,0,0]=4 3264 B8R0.8 CC(C)C(C)OCC=O 7a_100000748068_200015260668 [1,1,0,0,0,0|2,0,0]=4 3265 B8R0.8 CC(C)C(N)CCO[13CH3] 34a_100161115045_200025704644 [1,1,0,0,0,0|2,0,0]=4 3266 B8R0.8 CC(C)[C@@H](N)COCF 34a_100011830312_100015361967 [1,1,0,0,0,0|1,0,1]=4 3267 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [1,1,0,0,0,0|1,0,1]=4 3268 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [1,1,0,0,0,0|1,0,1]=4 3269 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,1,0,0,0,0|1,0,1]=4 3270 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,1,0,0,0,0|1,0,1]=4 3271 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|1,0,0]=3 3272 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|1,0,0]=3 3273 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|1,0,0]=3 3274 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|1,0,0]=3 3275 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|1,0,0]=3 3276 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,1,0,0,0,0|1,0,0]=3 3277 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,1,0,0,0,0|1,0,0]=3 3278 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,1,0,0,0,0|1,0,0]=3 3279 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,1,0,0,0,0|1,0,0]=3 3280 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,1,0,0,0,0|2,0,0]=4 3281 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,1,0,0,0,0|2,0,0]=4 3282 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [1,1,0,0,0,0|2,0,0]=4 3283 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [1,1,0,0,0,0|2,0,0]=4 3284 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [1,1,0,0,0,0|2,0,0]=4 3285 B8R0.8 CCNCC(O)C(C)C 2230a_100000759067_100000210202 [1,1,0,0,0,0|1,0,1]=4 3286 B8R0.8 CCNCC(O)C(C)C 34a_100000759067_100000210202 [1,1,0,0,0,0|1,0,1]=4 3287 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [1,1,0,0,0,0|2,0,0]=4 3288 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [1,1,0,0,0,0|0,0,2]=4 3289 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [1,1,0,0,0,0|0,0,2]=4 3290 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [1,1,0,0,0,0|2,0,0]=4 3291 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [1,1,0,0,0,0|2,0,0]=4 3292 B8R0.8 CCOCN(C)C(C)C 269982a_200000211004_100000739092 [1,1,0,0,0,0|1,0,1]=4 3293 B8R0.8 CCOC[C@H](N)C(C)C 34a_100011830312_100000210202 [1,1,0,0,0,0|0,0,1]=3 3294 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,1,0,0,0,0|2,0,0]=4 3295 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,1,0,0,0,0|2,0,0]=4 3296 B8R0.8 COCCC(N)C(C)C 34a_100161115045_200000210301 [1,1,0,0,0,0|2,0,0]=4 3297 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [1,1,0,0,0,0|2,0,0]=4 3298 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [1,1,0,0,0,0|2,0,0]=4 3299 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [1,1,0,0,0,0|2,0,0]=4 3300 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [1,1,0,0,0,0|2,0,0]=4 3301 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [1,1,0,0,0,0|2,0,0]=4 3302 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [1,1,0,0,0,0|2,0,0]=4 3303 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [1,1,0,0,0,0|2,0,0]=4 3304 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [1,1,0,0,0,0|2,0,0]=4 3305 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [1,1,0,0,0,0|2,0,0]=4 3306 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [1,1,0,0,0,0|2,0,0]=4 3307 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,1,0,0,0,0|1,0,1]=4 3308 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [1,1,0,0,0,0|2,0,0]=4 3309 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [1,1,0,0,0,0|2,0,0]=4 3310 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [1,1,0,0,0,0|2,0,0]=4 3311 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [1,1,0,0,0,0|2,0,0]=4 3312 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [1,1,0,0,0,0|2,0,0]=4 3313 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [1,1,0,0,0,0|2,0,0]=4 3314 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [1,1,0,0,0,0|1,0,1]=4 3315 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [1,1,0,0,0,0|2,0,0]=4 3316 B8R0.9 CC(C)CCC(C)O[13CH3] 34a_100011215350_200025704644 [1,1,0,0,0,0|2,0,0]=4 3317 B8R0.9 CC(C)CCC(C)O[13CH3] 7a_100011215350_200025704644 [1,1,0,0,0,0|2,0,0]=4 3318 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_100011261404_200025704644 [1,1,0,0,0,0|2,0,0]=4 3319 B8R0.9 CC(C)CCC(C)S[13CH3] 62a_200025704644_100011261404 [1,1,0,0,0,0|2,0,0]=4 3320 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|1,0,1]=4 3321 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|1,0,1]=4 3322 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [1,1,0,0,0,0|1,0,1]=4 3323 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [1,1,0,0,0,0|0,0,1]=3 3324 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [1,1,0,0,0,0|0,1,1]=4 3325 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,1,0,0,0,0|1,0,0]=3 3326 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,1,0,0,0,0|1,0,0]=3 3327 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,1,0,0,0,0|1,0,0]=3 3328 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,1,0,0,0,0|1,0,0]=3 3329 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,1,0,0,0,0|1,0,0]=3 3330 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,1,0,0,0,0|1,0,0]=3 3331 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [1,1,0,0,0,0|1,0,1]=4 3332 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [1,1,0,0,0,0|2,0,0]=4 3333 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [1,1,0,0,0,0|2,0,0]=4 3334 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,1,0,0,0,0|1,0,0]=3 3335 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,1,0,0,0,0|1,0,0]=3 3336 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,1,0,0,0,0|1,0,0]=3 3337 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [1,1,0,0,0,0|1,0,1]=4 3338 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [1,1,0,0,0,0|2,0,0]=4 3339 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [1,1,0,0,0,0|2,0,0]=4 3340 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [1,1,0,0,0,0|2,0,0]=4 3341 B8R0.9 CCN(C)CCC(C)C 2230a_100000207693_200000210301 [1,1,0,0,0,0|1,0,1]=4 3342 B8R0.9 CCN(C)CCC(C)C 2230a_100000225621_100000210312 [1,1,0,0,0,0|1,0,1]=4 3343 B8R0.9 CCN(C)CCC(C)C 2230a_100000742789_100000210202 [1,1,0,0,0,0|1,0,1]=4 3344 B8R0.9 CCN(C)CCC(C)C 269982a_100000207693_200000210301 [1,1,0,0,0,0|1,0,1]=4 3345 B8R0.9 CCN(C)CCC(C)C 269982a_100000225621_100000210312 [1,1,0,0,0,0|1,0,1]=4 3346 B8R0.9 CCN(C)CCC(C)C 269982a_100000742789_100000204670 [1,1,0,0,0,0|1,0,1]=4 3347 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [1,1,0,0,0,0|1,0,0]=3 3348 B8R0.9 CCN([13CH3])CCC(C)C 2230a_100000207693_200025704644 [1,1,0,0,0,0|1,0,1]=4 3349 B8R0.9 CCN([13CH3])CCC(C)C 269982a_100000207693_200025704644 [1,1,0,0,0,0|1,0,1]=4 3350 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [1,1,0,0,0,0|2,0,0]=4 3351 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [1,1,0,0,0,0|2,0,0]=4 3352 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [1,1,0,0,0,0|1,0,1]=4 3353 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [1,1,0,0,0,0|1,0,1]=4 3354 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,1,0,0,0,0|2,0,0]=4 3355 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,1,0,0,0,0|2,0,0]=4 3356 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,1,0,0,0,0|2,0,0]=4 3357 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,1,0,0,0,0|2,0,0]=4 3358 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [1,1,0,0,0,0|1,0,1]=4 3359 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [1,1,0,0,0,0|1,0,1]=4 3360 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [1,1,0,0,0,0|1,0,1]=4 3361 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [1,1,0,0,0,0|2,0,0]=4 3362 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [1,1,0,0,0,0|2,0,0]=4 3363 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [1,1,0,0,0,0|2,0,0]=4 3364 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [1,1,0,0,0,0|2,0,0]=4 3365 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [1,1,0,0,0,0|1,0,0]=3 3366 B8R0.9 COC(C)CCC(C)C 34a_100011215350_200000210301 [1,1,0,0,0,0|2,0,0]=4 3367 B8R0.9 COC(C)CCC(C)C 34a_100138415774_100011261404 [1,1,0,0,0,0|2,0,0]=4 3368 B8R0.9 COC(C)CCC(C)C 7a_100011215350_200000210301 [1,1,0,0,0,0|2,0,0]=4 3369 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [1,1,0,0,0,0|2,0,0]=4 3370 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [1,1,0,0,0,0|2,0,0]=4 3371 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [1,1,0,0,0,0|2,0,0]=4 3372 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [1,1,0,0,0,0|2,0,0]=4 3373 B8R0.9 CSC(C)CCC(C)C 62a_100011261404_200000210301 [1,1,0,0,0,0|2,0,0]=4 3374 B8R0.9 CSC(C)CCC(C)C 62a_200000210301_100011261404 [1,1,0,0,0,0|2,0,0]=4 3375 B8R0.21 C/C=C/COC(C)(C)C 34a_100015890283_100102629194 [1,1,0,0,0,0|2,0,0]=4 3376 B8R0.21 C/C=C/COC(C)(C)C 34a_100016270725_100000210625 [1,1,0,0,0,0|2,0,0]=4 3377 B8R0.21 C/C=C/COC(C)(C)C 7a_100015890283_100102629194 [1,1,0,0,0,0|2,0,0]=4 3378 B8R0.21 C/C=C/CSC(C)(C)C 62a_100000211941_100102629194 [1,1,0,0,0,0|2,0,0]=4 3379 B8R0.21 C/C=C/CSC(C)(C)C 62a_100102629194_100000211941 [1,1,0,0,0,0|2,0,0]=4 3380 B8R0.21 CC(C)(C)CCOCF 7a_100000765024_100015361967 [1,1,0,0,0,0|1,0,1]=4 3381 B8R0.21 CC(C)(C)CNCC=O 2230a_100000743828_200015260668 [1,1,0,0,0,0|2,0,0]=4 3382 B8R0.21 CC(C)(C)CSCC=O 62a_100011219605_200015260668 [1,1,0,0,0,0|2,0,0]=4 3383 B8R0.21 CC(C)(C)CSCC=O 62a_200015260668_100011219605 [1,1,0,0,0,0|2,0,0]=4 3384 B8R0.21 CC(C)(F)CNCC=O 2230a_100020643315_200015260668 [1,1,0,0,0,0|2,0,0]=4 3385 B8R0.21 CC(C)(F)COCC=O 34a_100000716592_200009817547 [1,1,0,0,0,0|2,0,0]=4 3386 B8R0.21 CC(C)(F)CSCC=O 62a_100011997219_200015260668 [1,1,0,0,0,0|2,0,0]=4 3387 B8R0.21 CC(C)(F)CSCC=O 62a_200015260668_100011997219 [1,1,0,0,0,0|2,0,0]=4 3388 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [1,1,0,0,0,0|2,0,0]=4 3389 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [1,1,0,0,0,0|2,0,0]=4 3390 B8R0.21 CC(C)(O)CNCC=O 2230a_100000751335_200015260668 [1,1,0,0,0,0|2,0,0]=4 3391 B8R0.21 CC(C)(O)CSCC=O 62a_100000764493_200015260668 [1,1,0,0,0,0|2,0,0]=4 3392 B8R0.21 CC(C)(O)CSCC=O 62a_200015260668_100000764493 [1,1,0,0,0,0|2,0,0]=4 3393 B8R0.21 CC=CCNC(C)(C)C 2230a_100000715429_100000070051 [1,1,0,0,0,0|2,0,0]=4 3394 B8R0.21 CC=CCOC(C)(C)C 34a_100015890283_100000070051 [1,1,0,0,0,0|2,0,0]=4 3395 B8R0.21 CC=CCOC(C)(C)C 7a_100015890283_100000070051 [1,1,0,0,0,0|2,0,0]=4 3396 B8R0.21 CC=CCSC(C)(C)C 62a_100000070051_100000211941 [1,1,0,0,0,0|2,0,0]=4 3397 B8R0.21 CC=CCSC(C)(C)C 62a_100000211941_100000070051 [1,1,0,0,0,0|2,0,0]=4 3398 B8R0.21 CCCCNS(=O)(=O)C 40a_100000102301_100000738038 [1,1,0,0,0,0|2,0,0]=4 3399 B8R0.21 CCCCOC(C)(C)C 34a_100000210227_100000210625 [1,1,0,0,0,0|1,0,1]=4 3400 B8R0.21 CCCCOC(C)(C)C 34a_100015890283_100000210210 [1,1,0,0,0,0|1,0,1]=4 3401 B8R0.21 CCCCOC(C)(C)C 7a_100015890283_100000210211 [1,1,0,0,0,0|1,0,1]=4 3402 B8R0.21 CCNCCC(C)(C)C 2230a_100000738805_100000210202 [1,1,0,0,0,0|1,0,1]=4 3403 B8R0.21 CCNCCC(C)(C)C 2230a_100015525214_100000755188 [1,1,0,0,0,0|1,0,1]=4 3404 B8R0.21 CCNCCC(C)(C)F 2230a_100016253952_100000210202 [1,1,0,0,0,0|1,0,1]=4 3405 B8R0.21 CCNCCC(C)(C)O 2230a_100015525214_100000702414 [1,1,0,0,0,0|1,0,1]=4 3406 B8R0.21 CCOCCC(C)(C)C 34a_100121572206_100000755188 [1,1,0,0,0,0|0,0,1]=3 3407 B8R0.21 CCOCCC(C)(C)C 7a_100000765024_100000210202 [1,1,0,0,0,0|0,0,1]=3 3408 B8R0.21 CCOCCC(C)(C)O 34a_100121572206_100000702414 [1,1,0,0,0,0|0,0,1]=3 3409 B8R0.21 CCOCC[N+](C)(C)C 34a_100121572206_100000085578 [1,1,0,0,0,0|1,0,1]=4 3410 B8R0.21 CCOCC[N+](C)(C)C 7a_200020618287_100000210202 [1,1,0,0,0,0|1,0,1]=4 3411 B8R0.21 CCOCC[Si](C)(C)C 34a_100121572206_200000733723 [1,1,0,0,0,0|0,1,1]=4 3412 B8R0.21 CCOCC[Si](C)(C)C 7a_100000039746_100000210202 [1,1,0,0,0,0|0,1,1]=4 3413 B8R0.21 CCOCSC(C)(C)C 62a_100000211941_100000739092 [1,1,0,0,0,0|1,0,1]=4 3414 B8R0.21 CCOCSC(C)(C)C 62a_100000739092_100000211941 [1,1,0,0,0,0|1,0,1]=4 3415 B8R0.21 CCSCCC(C)(C)C 62a_100000210202_100000755188 [1,1,0,0,0,0|0,1,1]=4 3416 B8R0.21 CCSCCC(C)(C)C 62a_100000755188_100000210202 [1,1,0,0,0,0|0,1,1]=4 3417 B8R0.21 CCSCCC(C)(C)O 62a_100000210202_100000702414 [1,1,0,0,0,0|0,1,1]=4 3418 B8R0.21 CCSCCC(C)(C)O 62a_100000702414_100000210202 [1,1,0,0,0,0|0,1,1]=4 3419 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [1,1,0,0,0,0|2,0,0]=4 3420 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [1,1,0,0,0,0|2,0,0]=4 3421 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [1,1,0,0,0,0|2,0,0]=4 3422 B8R0.21 CNCCOS(=O)(=O)C 2230a_106832991635_200000036756 [1,1,0,0,0,0|2,0,0]=4 3423 B8R0.21 CNCCOS(=O)(=O)C 34a_100102657272_200000036756 [1,1,0,0,0,0|2,0,0]=4 3424 B8R0.21 CNCCOS(=O)(=O)C 7a_106832991635_200000036756 [1,1,0,0,0,0|2,0,0]=4 3425 B8R0.21 COCCCC(C)(C)O 34a_100138415774_100009888830 [1,1,0,0,0,0|2,0,0]=4 3426 B8R0.21 COCCOS(=O)(=O)C 34a_100138415774_200000036756 [1,1,0,0,0,0|2,0,0]=4 3427 B8R0.21 CS(=O)(=O)OCCS[13CH3] 62a_200000036756_200025704644 [1,1,0,0,0,0|2,0,0]=4 3428 B8R0.21 CS(=O)(=O)OCCS[13CH3] 62a_200025704644_200000036756 [1,1,0,0,0,0|2,0,0]=4 3429 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [1,1,0,0,0,0|2,0,0]=4 3430 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [1,1,0,0,0,0|2,0,0]=4 3431 B8R0.21 CSCCOS(=O)(=O)C 62a_200000036756_200000210301 [1,1,0,0,0,0|2,0,0]=4 3432 B8R0.21 CSCCOS(=O)(=O)C 62a_200000210301_200000036756 [1,1,0,0,0,0|2,0,0]=4 3433 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,1,0,0,1,0|1,0,1]=4 3434 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,1,0,0,1,0|1,0,1]=4 3435 B8R0.23 C=C(C)CN(C)C(C)C 2230a_100000225649_100000210206 [0,1,0,0,1,0|2,0,0]=4 3436 B8R0.23 C=C(C)CN(C)C(C)C 269982a_100000225649_100000210206 [0,1,0,0,1,0|2,0,0]=4 3437 B8R0.23 C=C(C)CN(C)C(C)C 269982a_200000211004_100000748629 [0,1,0,0,1,0|2,0,0]=4 3438 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,1,0,0,1,0|1,0,1]=4 3439 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,1,0,0,1,0|1,0,1]=4 3440 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,0,0,1,0|0,0,0]=2 3441 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,1,0,0,1,0|1,0,0]=3 3442 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,1,0,0,1,0|1,0,0]=3 3443 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,1,0,0,1,0|1,0,0]=3 3444 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,1,0,0,1,0|1,0,0]=3 3445 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,1,0,0,1,0|1,0,0]=3 3446 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,1,0,0,1,0|0,0,1]=3 3447 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,1,0,0,1,0|1,0,1]=4 3448 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,0,0,1,0|1,0,0]=3 3449 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,0,0,1,0|1,0,0]=3 3450 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,1,0,0,1,0|1,0,0]=3 3451 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,1,0,0,1,0|1,0,0]=3 3452 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,1,0,0,1,0|1,0,0]=3 3453 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,1,0,0,1,0|1,0,0]=3 3454 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,1,0,0,1,0|2,0,0]=4 3455 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,1,0,0,1,0|2,0,0]=4 3456 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,1,0,0,1,0|1,0,0]=3 3457 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,1,0,0,1,0|1,0,0]=3 3458 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,1,0,0,1,0|1,0,0]=3 3459 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,1,0,0,1,0|1,0,0]=3 3460 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,0,0,1,0|1,0,1]=4 3461 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,1,0,0,1,0|1,0,0]=3 3462 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,0,0,1,0|1,0,1]=4 3463 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,0,0,1,0|1,0,1]=4 3464 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,0,0,1,0|0,0,0]=2 3465 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,1,0,0,1,0|1,0,1]=4 3466 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,1,0,0,1,0|1,0,1]=4 3467 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,1,0,0,1,0|1,0,1]=4 3468 B8R0.23 CC(C)CC(C)N(C)C 2230a_100000745462_200000210301 [0,1,0,0,1,0|2,0,0]=4 3469 B8R0.23 CC(C)CC(C)N(C)C 2230a_100102631434_100000731052 [0,1,0,0,1,0|2,0,0]=4 3470 B8R0.23 CC(C)CC(C)N(C)C 269982a_100000745462_200000210301 [0,1,0,0,1,0|2,0,0]=4 3471 B8R0.23 CC(C)CC(C)N(C)C 269982a_100102631434_100000731052 [0,1,0,0,1,0|2,0,0]=4 3472 B8R0.23 CC(C)CC(C)N(C)[13CH3] 2230a_100000745462_200025704644 [0,1,0,0,1,0|2,0,0]=4 3473 B8R0.23 CC(C)CC(C)N(C)[13CH3] 269982a_100000745462_200025704644 [0,1,0,0,1,0|2,0,0]=4 3474 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,0,0,1,0|0,0,0]=2 3475 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,1,0,0,1,0|2,0,0]=4 3476 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,1,0,0,1,0|2,0,0]=4 3477 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,1,0,0,1,0|2,0,0]=4 3478 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,0,0,1,0|1,0,0]=3 3479 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,1,0,0,1,0|2,0,0]=4 3480 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,1,0,0,1,0|1,0,1]=4 3481 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,1,0,0,1,0|2,0,0]=4 3482 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,1,0,0,1,0|2,0,0]=4 3483 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,1,0,0,1,0|2,0,0]=4 3484 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,1,0,0,1,0|2,0,0]=4 3485 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,1,0,0,1,0|2,0,0]=4 3486 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,0,0,1,0|2,0,0]=4 3487 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,1,0,0,1,0|2,0,0]=4 3488 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,1,0,0,1,0|2,0,0]=4 3489 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,1,0,0,1,0|2,0,0]=4 3490 B8R0.23 CC(C)OC(C)C(C)C 7a_100000748068_100000210206 [0,1,0,0,1,0|1,0,1]=4 3491 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,1,0,0,1,0|2,0,0]=4 3492 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,1,0,0,1,0|2,0,0]=4 3493 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,1,0,0,1,0|2,0,0]=4 3494 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,1,0,0,1,0|2,0,0]=4 3495 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,1,0,0,1,0|2,0,0]=4 3496 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,1,0,0,1,0|2,0,0]=4 3497 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,1,0,0,1,0|2,0,0]=4 3498 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,1,0,0,1,0|2,0,0]=4 3499 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,1,0,0,1,0|2,0,0]=4 3500 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,1,0,0,1,0|2,0,0]=4 3501 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,1,0,0,1,0|2,0,0]=4 3502 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,0,0,1,0|1,0,0]=3 3503 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,1,0,0,1,0|1,0,0]=3 3504 B8R0.29 C=C(C)CNC(C)(C)C 2230a_100000715429_100000748629 [0,1,0,0,1,0|2,0,0]=4 3505 B8R0.29 C=C(C)COC(C)(C)C 34a_100000210245_100000210625 [0,1,0,0,1,0|2,0,0]=4 3506 B8R0.29 C=C(C)COC(C)(C)C 34a_100015890283_100000748629 [0,1,0,0,1,0|2,0,0]=4 3507 B8R0.29 C=C(C)COC(C)(C)C 7a_100015890283_100000748629 [0,1,0,0,1,0|2,0,0]=4 3508 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000211941_100000211660 [0,1,0,0,1,0|2,0,0]=4 3509 B8R0.29 C=C(C)CSC(C)(C)C 62a_100000748629_100000211941 [0,1,0,0,1,0|2,0,0]=4 3510 B8R0.29 CC(=O)C#CC(C)(C)C 1458a_100011966651_200000210301 [0,1,0,0,1,0|0,0,2]=4 3511 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,1,0,0,1,0|0,0,0]=2 3512 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,1,0,0,1,0|0,0,0]=2 3513 B8R0.29 CC(=O)CCC(C)(F)F 1458a_100000030992_200000210301 [0,1,0,0,1,0|1,0,0]=3 3514 B8R0.29 CC(=O)CCC(F)(F)F 1458a_100000070787_100011219754 [0,1,0,0,1,0|2,0,0]=4 3515 B8R0.29 CC(=O)CCC(F)(F)F 1458a_100000755318_200000210301 [0,1,0,0,1,0|2,0,0]=4 3516 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000070787_100000731031 [0,1,0,0,1,0|2,0,0]=4 3517 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000737124_200000210301 [0,1,0,0,1,0|2,0,0]=4 3518 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [0,1,0,0,1,0|1,0,0]=3 3519 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [0,1,0,0,1,0|0,1,0]=3 3520 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [0,1,0,0,1,0|0,1,0]=3 3521 B8R0.29 CC(=O)COC(C)(C)C 1458a_100000686494_200000210301 [0,1,0,0,1,0|1,0,0]=3 3522 B8R0.29 CC(=O)COC(C)(C)C 34a_100000211253_100000210625 [0,1,0,0,1,0|1,0,0]=3 3523 B8R0.29 CC(=O)NCC(C)(C)C 11a_100000743828_100015343762 [0,1,0,0,1,0|1,0,0]=3 3524 B8R0.29 CC(=O)NCC(C)(C)C 1626a_100000743828_100015343762 [0,1,0,0,1,0|1,0,0]=3 3525 B8R0.29 CC(=O)NCC(C)(C)C 240690a_100000743828_100015343762 [0,1,0,0,1,0|1,0,0]=3 3526 B8R0.29 CC(=O)NCC(C)(C)C 527a_100000743828_100103153847 [0,1,0,0,1,0|1,0,0]=3 3527 B8R0.29 CC(=O)NCC(C)(C)F 11a_100020643315_100015343762 [0,1,0,0,1,0|1,0,0]=3 3528 B8R0.29 CC(=O)NCC(C)(C)F 1626a_100020643315_100015343762 [0,1,0,0,1,0|1,0,0]=3 3529 B8R0.29 CC(=O)NCC(C)(C)F 240690a_100020643315_100015343762 [0,1,0,0,1,0|1,0,0]=3 3530 B8R0.29 CC(=O)NCC(C)(C)F 527a_100020643315_100103153847 [0,1,0,0,1,0|1,0,0]=3 3531 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,1,0,0,1,0|1,0,0]=3 3532 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,1,0,0,1,0|1,0,0]=3 3533 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,1,0,0,1,0|1,0,0]=3 3534 B8R0.29 CC(=O)NCC(C)(F)F 11a_100000731000_100015343762 [0,1,0,0,1,0|2,0,0]=4 3535 B8R0.29 CC(=O)NCC(C)(F)F 1626a_100000731000_100015343762 [0,1,0,0,1,0|2,0,0]=4 3536 B8R0.29 CC(=O)NCC(C)(F)F 240690a_100000731000_100015343762 [0,1,0,0,1,0|2,0,0]=4 3537 B8R0.29 CC(=O)NCC(C)(F)F 527a_100000731000_100103153847 [0,1,0,0,1,0|2,0,0]=4 3538 B8R0.29 CC(=O)NC[Si](C)(C)C 11a_102516607284_100015343762 [0,1,0,0,1,0|1,1,0]=4 3539 B8R0.29 CC(=O)NC[Si](C)(C)C 1626a_102516607284_100015343762 [0,1,0,0,1,0|1,1,0]=4 3540 B8R0.29 CC(=O)NC[Si](C)(C)C 240690a_102516607284_100015343762 [0,1,0,0,1,0|1,1,0]=4 3541 B8R0.29 CC(=O)NC[Si](C)(C)C 527a_102516607284_100103153847 [0,1,0,0,1,0|1,1,0]=4 3542 B8R0.29 CC(=O)NNC(C)(C)C 22a_100000725372_100000070787 [0,1,0,0,1,0|2,0,0]=4 3543 B8R0.29 CC(C)(C)C#CC(=O)[13CH3] 1458a_100011966651_200025704644 [0,1,0,0,1,0|0,0,2]=4 3544 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,1,0,0,1,0|0,0,0]=2 3545 B8R0.29 CC(C)(C)NCC(=O)N 2230a_100000715429_100000747473 [0,1,0,0,1,0|2,0,0]=4 3546 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [0,1,0,0,1,0|2,0,0]=4 3547 B8R0.29 CC(C)(C)OCC(=O)N 34a_100015890283_100000187820 [0,1,0,0,1,0|2,0,0]=4 3548 B8R0.29 CC(C)(C)OCC(=O)N 7a_100015890283_100000187820 [0,1,0,0,1,0|2,0,0]=4 3549 B8R0.29 CC(C)(C)OCC(=O)[13CH3] 1458a_100000686494_200025704644 [0,1,0,0,1,0|1,0,0]=3 3550 B8R0.29 CC(C)(C)OCC(=O)[O-] 34a_100015890283_100020667443 [0,1,0,0,1,0|2,0,0]=4 3551 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000211941_100000747473 [0,1,0,0,1,0|2,0,0]=4 3552 B8R0.29 CC(C)(C)SCC(=O)N 62a_100000747473_100000211941 [0,1,0,0,1,0|2,0,0]=4 3553 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100000211941_100020667443 [0,1,0,0,1,0|2,0,0]=4 3554 B8R0.29 CC(C)(C)SCC(=O)[O-] 62a_100020667443_100000211941 [0,1,0,0,1,0|2,0,0]=4 3555 B8R0.29 CC(C)CNS(=O)(=O)C 40a_100000210953_100000738038 [0,1,0,0,1,0|2,0,0]=4 3556 B8R0.29 CC(C)COC(C)(C)C 34a_100000210257_100000210625 [0,1,0,0,1,0|1,0,1]=4 3557 B8R0.29 CC(C)COC(C)(C)C 34a_100015890283_100000210624 [0,1,0,0,1,0|1,0,1]=4 3558 B8R0.29 CC(C)COC(C)(C)C 7a_100015890283_100000210760 [0,1,0,0,1,0|1,0,1]=4 3559 B8R0.29 CC(C)OCC(C)(C)C 34a_100000212225_100011219605 [0,1,0,0,1,0|1,0,1]=4 3560 B8R0.29 CC(C)OCC(C)(C)F 34a_100000212225_100011997219 [0,1,0,0,1,0|1,0,1]=4 3561 B8R0.29 CC(C)OCC(C)(C)F 34a_100000716592_100000210206 [0,1,0,0,1,0|1,0,1]=4 3562 B8R0.29 CC(C)OCC(C)(C)O 34a_100000212225_100000764493 [0,1,0,0,1,0|1,0,1]=4 3563 B8R0.29 CC(F)(F)CCC(=O)[13CH3] 1458a_100000030992_200025704644 [0,1,0,0,1,0|1,0,0]=3 3564 B8R0.29 CN(C)CCC(C)(C)C 2230a_100102631434_100000755188 [0,1,0,0,1,0|2,0,0]=4 3565 B8R0.29 CN(C)CCC(C)(C)C 269982a_100102631434_100000755188 [0,1,0,0,1,0|2,0,0]=4 3566 B8R0.29 CN(C)CCC(C)(C)O 2230a_100102631434_100000702414 [0,1,0,0,1,0|2,0,0]=4 3567 B8R0.29 CN(C)CCS(=O)(=O)C 2230a_100000750128_200000210301 [0,1,0,0,1,0|2,0,0]=4 3568 B8R0.29 CN(C)CCS(=O)(=O)C 2230a_100102631434_100000731031 [0,1,0,0,1,0|2,0,0]=4 3569 B8R0.29 CN(C)CCS(=O)(=O)C 269982a_100000750128_200000210301 [0,1,0,0,1,0|2,0,0]=4 3570 B8R0.29 CN(C)CCS(=O)(=O)C 269982a_100102631434_100000731031 [0,1,0,0,1,0|2,0,0]=4 3571 B8R0.29 CN(C)CCS(=O)(=O)C 34a_100000750128_200000210301 [0,1,0,0,1,0|2,0,0]=4 3572 B8R0.29 CN([13CH3])CCS(=O)(=O)C 2230a_100000750128_200025704644 [0,1,0,0,1,0|2,0,0]=4 3573 B8R0.29 CN([13CH3])CCS(=O)(=O)C 269982a_100000750128_200025704644 [0,1,0,0,1,0|2,0,0]=4 3574 B8R0.29 CN([13CH3])CCS(=O)(=O)C 34a_100000750128_200025704644 [0,1,0,0,1,0|2,0,0]=4 3575 B8R0.29 CS(=O)(=O)CCC(=O)[13CH3] 1458a_100000737124_200025704644 [0,1,0,0,1,0|2,0,0]=4 3576 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [0,1,0,0,1,0|0,1,0]=3 3577 B8R0.29 [13CH3]C(=O)CCC(F)(F)F 1458a_100000755318_200025704644 [0,1,0,0,1,0|2,0,0]=4 3578 B10R0.15 C=C(C)CCNCC(C)(C)C 2230a_100000743828_100000730704 [0,1,0,0,0,1|2,0,0]=4 3579 B10R0.15 C=C(C)CCNCC(C)(C)F 2230a_100020643315_100000730704 [0,1,0,0,0,1|2,0,0]=4 3580 B10R0.15 C=C(C)CCNCC(C)(C)O 2230a_100000751335_100000730704 [0,1,0,0,0,1|2,0,0]=4 3581 B10R0.15 C=C(C)CCOCC(C)(C)C 34a_100000764851_100011219605 [0,1,0,0,0,1|2,0,0]=4 3582 B10R0.15 C=C(C)CCOCC(C)(C)F 34a_100000716592_100000730704 [0,1,0,0,0,1|2,0,0]=4 3583 B10R0.15 C=C(C)CCOCC(C)(C)F 34a_100000764851_100011997219 [0,1,0,0,0,1|2,0,0]=4 3584 B10R0.15 C=C(C)CCOCC(C)(C)O 34a_100000764851_100000764493 [0,1,0,0,0,1|2,0,0]=4 3585 B10R0.15 C=C(C)CCSCC(C)(C)C 62a_100000730704_100011219605 [0,1,0,0,0,1|2,0,0]=4 3586 B10R0.15 C=C(C)CCSCC(C)(C)C 62a_100011219605_100000730704 [0,1,0,0,0,1|2,0,0]=4 3587 B10R0.15 C=C(C)CCSCC(C)(C)F 62a_100000730704_100011997219 [0,1,0,0,0,1|2,0,0]=4 3588 B10R0.15 C=C(C)CCSCC(C)(C)F 62a_100011997219_100000730704 [0,1,0,0,0,1|2,0,0]=4 3589 B10R0.15 C=C(C)CCSCC(C)(C)O 62a_100000730704_100000764493 [0,1,0,0,0,1|2,0,0]=4 3590 B10R0.15 C=C(C)CCSCC(C)(C)O 62a_100000764493_100000730704 [0,1,0,0,0,1|2,0,0]=4 3591 B10R0.15 C=C(C)CNCCC(C)(C)C 2230a_100000738805_100000748629 [0,1,0,0,0,1|2,0,0]=4 3592 B10R0.15 C=C(C)CNCCC(C)(C)F 2230a_100016253952_100000748629 [0,1,0,0,0,1|2,0,0]=4 3593 B10R0.15 C=C(C)COCCC(C)(C)C 34a_100000210245_100000755188 [0,1,0,0,0,1|1,0,0]=3 3594 B10R0.15 C=C(C)COCCC(C)(C)C 7a_100000765024_100000748629 [0,1,0,0,0,1|1,0,0]=3 3595 B10R0.15 C=C(C)COCCC(C)(C)O 34a_100000210245_100000702414 [0,1,0,0,0,1|1,0,0]=3 3596 B10R0.15 C=C(C)COCC[N+](C)(C)C 34a_100000210245_100000085578 [0,1,0,0,0,1|2,0,0]=4 3597 B10R0.15 C=C(C)COCC[N+](C)(C)C 7a_200020618287_100000748629 [0,1,0,0,0,1|2,0,0]=4 3598 B10R0.15 C=C(C)COCC[Si](C)(C)C 34a_100000210245_200000733723 [0,1,0,0,0,1|1,1,0]=4 3599 B10R0.15 C=C(C)COCC[Si](C)(C)C 7a_100000039746_100000748629 [0,1,0,0,0,1|1,1,0]=4 3600 B10R0.15 C=C(C)CSCCC(C)(C)C 62a_100000748629_100000755188 [0,1,0,0,0,1|1,1,0]=4 3601 B10R0.15 C=C(C)CSCCC(C)(C)C 62a_100000755188_100000211660 [0,1,0,0,0,1|1,1,0]=4 3602 B10R0.15 C=C(C)CSCCC(C)(C)O 62a_100000702414_100000211660 [0,1,0,0,0,1|1,1,0]=4 3603 B10R0.15 C=C(C)CSCCC(C)(C)O 62a_100000748629_100000702414 [0,1,0,0,0,1|1,1,0]=4 3604 B10R0.15 C=C(F)COCCC(C)(C)C 34a_200010262243_100000755188 [0,1,0,0,0,1|1,0,1]=4 3605 B10R0.15 C=C(F)COCCC(C)(C)C 7a_100000765024_100000042424 [0,1,0,0,0,1|1,0,1]=4 3606 B10R0.15 C=C(F)COCCC(C)(C)O 34a_200010262243_100000702414 [0,1,0,0,0,1|1,0,1]=4 3607 B10R0.15 CC(=CCCNC(C)(C)C)C 2230a_100000715429_100011217483 [0,1,0,0,0,1|2,0,0]=4 3608 B10R0.15 CC(=CCCOC(C)(C)C)C 34a_100015890283_100011217483 [0,1,0,0,0,1|2,0,0]=4 3609 B10R0.15 CC(=CCCOC(C)(C)C)C 7a_100015890283_100011217483 [0,1,0,0,0,1|2,0,0]=4 3610 B10R0.15 CC(=CCCSC(C)(C)C)C 62a_100000211941_100011217483 [0,1,0,0,0,1|2,0,0]=4 3611 B10R0.15 CC(=CCCSC(C)(C)C)C 62a_100011217483_100000211941 [0,1,0,0,0,1|2,0,0]=4 3612 B10R0.15 CC(=CCNCC(C)(C)C)C 2230a_100000743828_100000761012 [0,1,0,0,0,1|2,0,0]=4 3613 B10R0.15 CC(=CCNCC(C)(C)C)C 270004a_100000718196_100011204126 [0,1,0,0,0,1|2,0,0]=4 3614 B10R0.15 CC(=CCNCC(C)(C)C)C 34a_100000718196_100011219605 [0,1,0,0,0,1|2,0,0]=4 3615 B10R0.15 CC(=CCNCC(C)(C)F)C 2230a_100020643315_100000761012 [0,1,0,0,0,1|2,0,0]=4 3616 B10R0.15 CC(=CCNCC(C)(C)F)C 34a_100000718196_100011997219 [0,1,0,0,0,1|2,0,0]=4 3617 B10R0.15 CC(=CCNCC(C)(C)O)C 2230a_100000751335_100000761012 [0,1,0,0,0,1|2,0,0]=4 3618 B10R0.15 CC(=CCNCC(C)(C)O)C 34a_100000718196_100000764493 [0,1,0,0,0,1|2,0,0]=4 3619 B10R0.15 CC(=CCOCC(C)(C)C)C 34a_100000753907_100011219605 [0,1,0,0,0,1|2,0,0]=4 3620 B10R0.15 CC(=CCOCC(C)(C)F)C 34a_100000716592_100000761012 [0,1,0,0,0,1|2,0,0]=4 3621 B10R0.15 CC(=CCOCC(C)(C)F)C 34a_100000753907_100011997219 [0,1,0,0,0,1|2,0,0]=4 3622 B10R0.15 CC(=CCOCC(C)(C)O)C 34a_100000753907_100000764493 [0,1,0,0,0,1|2,0,0]=4 3623 B10R0.15 CC(=CCSCC(C)(C)C)C 62a_100000761012_100011219605 [0,1,0,0,0,1|2,0,0]=4 3624 B10R0.15 CC(=CCSCC(C)(C)C)C 62a_100011219605_100000761012 [0,1,0,0,0,1|2,0,0]=4 3625 B10R0.15 CC(=CCSCC(C)(C)F)C 62a_100000761012_100011997219 [0,1,0,0,0,1|2,0,0]=4 3626 B10R0.15 CC(=CCSCC(C)(C)F)C 62a_100011997219_100000761012 [0,1,0,0,0,1|2,0,0]=4 3627 B10R0.15 CC(=CCSCC(C)(C)O)C 62a_100000761012_100000764493 [0,1,0,0,0,1|2,0,0]=4 3628 B10R0.15 CC(=CCSCC(C)(C)O)C 62a_100000764493_100000761012 [0,1,0,0,0,1|2,0,0]=4 3629 B10R0.15 CC(=O)CCCOC(C)(C)C 34a_100000759063_100000210625 [0,1,0,0,0,1|1,0,0]=3 3630 B10R0.15 CC(=O)CCCOC(C)(C)C 34a_100015890283_100000685027 [0,1,0,0,0,1|1,0,0]=3 3631 B10R0.15 CC(=O)CCCOC(C)(C)C 7a_100015890283_100011215641 [0,1,0,0,0,1|1,0,0]=3 3632 B10R0.15 CC(=O)CCCSC(C)(C)C 62a_100000211941_100011215641 [0,1,0,0,0,1|1,0,0]=3 3633 B10R0.15 CC(=O)CCCSC(C)(C)C 62a_100011215641_100000211941 [0,1,0,0,0,1|1,0,0]=3 3634 B10R0.15 CC(=O)CCOCC(C)(C)C 34a_100000759926_100011219605 [0,1,0,0,0,1|1,0,0]=3 3635 B10R0.15 CC(=O)CCOCC(C)(C)F 34a_100000759926_100011997219 [0,1,0,0,0,1|1,0,0]=3 3636 B10R0.15 CC(=O)CCOCC(C)(C)O 34a_100000759926_100000764493 [0,1,0,0,0,1|1,0,0]=3 3637 B10R0.15 CC(=O)CCOCC(C)(C)O 7a_100000759926_100000764493 [0,1,0,0,0,1|1,0,0]=3 3638 B10R0.15 CC(=O)CCOC[Si](C)(C)C 7a_100000759926_100000233785 [0,1,0,0,0,1|1,1,0]=4 3639 B10R0.15 CC(=O)CCSCC(C)(C)C 62a_100000053229_100011219605 [0,1,0,0,0,1|1,0,0]=3 3640 B10R0.15 CC(=O)CCSCC(C)(C)C 62a_100011219605_100000053229 [0,1,0,0,0,1|1,0,0]=3 3641 B10R0.15 CC(=O)CCSCC(C)(C)F 62a_100000053229_100011997219 [0,1,0,0,0,1|1,0,0]=3 3642 B10R0.15 CC(=O)CCSCC(C)(C)F 62a_100011997219_100000053229 [0,1,0,0,0,1|1,0,0]=3 3643 B10R0.15 CC(=O)CCSCC(C)(C)O 62a_100000053229_100000764493 [0,1,0,0,0,1|1,0,0]=3 3644 B10R0.15 CC(=O)CCSCC(C)(C)O 62a_100000764493_100000053229 [0,1,0,0,0,1|1,0,0]=3 3645 B10R0.15 CC(=O)CCSC[N+](C)(C)C 62a_100000053229_200000036245 [0,1,0,0,0,1|2,0,0]=4 3646 B10R0.15 CC(=O)CCSC[N+](C)(C)C 62a_200000036245_100000053229 [0,1,0,0,0,1|2,0,0]=4 3647 B10R0.15 CC(=O)CCSC[Si](C)(C)C 62a_100000037933_100000053229 [0,1,0,0,0,1|1,1,0]=4 3648 B10R0.15 CC(=O)CCSC[Si](C)(C)C 62a_100000053229_100000037933 [0,1,0,0,0,1|1,1,0]=4 3649 B10R0.15 CC(=O)COCCC(C)(C)C 34a_100000211253_100000755188 [0,1,0,0,0,1|0,0,0]=2 3650 B10R0.15 CC(=O)COCCC(C)(C)O 34a_100000211253_100000702414 [0,1,0,0,0,1|0,0,0]=2 3651 B10R0.15 CC(=O)COCCC(F)(F)F 34a_100000211253_100011219754 [0,1,0,0,0,1|2,0,0]=4 3652 B10R0.15 CC(=O)COCCS(=O)(=O)C 34a_100000211253_100000731031 [0,1,0,0,0,1|2,0,0]=4 3653 B10R0.15 CC(=O)COCC[N+](C)(C)C 34a_100000211253_100000085578 [0,1,0,0,0,1|1,0,0]=3 3654 B10R0.15 CC(=O)COCC[Si](C)(C)C 1458a_100000070787_100000032501 [0,1,0,0,0,1|0,1,0]=3 3655 B10R0.15 CC(=O)COCC[Si](C)(C)C 34a_100000211253_200000733723 [0,1,0,0,0,1|0,1,0]=3 3656 B10R0.15 CC(=O)NCCC[Si](C)(C)C 1626a_100000725946_100015343762 [0,1,0,0,0,1|1,1,0]=4 3657 B10R0.15 CC(=O)NCCC[Si](C)(C)C 240690a_100000725946_100015343762 [0,1,0,0,0,1|1,1,0]=4 3658 B10R0.15 CC(=O)NCCC[Si](C)(C)C 527a_100000725946_100103153847 [0,1,0,0,0,1|1,1,0]=4 3659 B10R0.15 CC(=O)NCCNC(C)(C)C 2230a_100000715429_100000189650 [0,1,0,0,0,1|1,0,0]=3 3660 B10R0.15 CC(=O)NCCOC(C)(C)C 11a_100000747557_100015343762 [0,1,0,0,0,1|1,0,0]=3 3661 B10R0.15 CC(=O)NCCOC(C)(C)C 1626a_100000747557_100015343762 [0,1,0,0,0,1|1,0,0]=3 3662 B10R0.15 CC(=O)NCCOC(C)(C)C 240690a_100000747557_100015343762 [0,1,0,0,0,1|1,0,0]=3 3663 B10R0.15 CC(=O)NCCOC(C)(C)C 34a_100000158858_100000210625 [0,1,0,0,0,1|1,0,0]=3 3664 B10R0.15 CC(=O)NCCOC(C)(C)C 527a_100000747557_100103153847 [0,1,0,0,0,1|1,0,0]=3 3665 B10R0.15 CC(=O)NCCOC(C)(C)C 7a_100015890283_100000189650 [0,1,0,0,0,1|1,0,0]=3 3666 B10R0.15 CC(=O)NCCSC(C)(C)C 11a_100000689375_100015343762 [0,1,0,0,0,1|1,0,0]=3 3667 B10R0.15 CC(=O)NCCSC(C)(C)C 1626a_100000689375_100015343762 [0,1,0,0,0,1|1,0,0]=3 3668 B10R0.15 CC(=O)NCCSC(C)(C)C 240690a_100000689375_100015343762 [0,1,0,0,0,1|1,0,0]=3 3669 B10R0.15 CC(=O)NCCSC(C)(C)C 527a_100000689375_100103153847 [0,1,0,0,0,1|1,0,0]=3 3670 B10R0.15 CC(=O)NCCSC(C)(C)C 62a_100000189650_100000211941 [0,1,0,0,0,1|1,0,0]=3 3671 B10R0.15 CC(=O)NCCSC(C)(C)C 62a_100000211941_100000189650 [0,1,0,0,0,1|1,0,0]=3 3672 B10R0.15 CC(=O)NN=CCC(C)(C)C 4a_100000189765_100000750564 [0,1,0,0,0,1|1,0,1]=4 3673 B10R0.15 CC(=O)OCCNS(=O)(=O)C 40a_100000724843_100000738038 [0,1,0,0,0,1|2,0,0]=4 3674 B10R0.15 CC(=O)OCCOC(C)(C)C 34a_100015890283_100009814007 [0,1,0,0,0,1|0,0,0]=2 3675 B10R0.15 CC(=O)OCCOC(C)(C)C 7a_100015890283_100009814007 [0,1,0,0,0,1|0,0,0]=2 3676 B10R0.15 CC(=O)OCCSC(C)(C)C 62a_100000211941_100009814007 [0,1,0,0,0,1|0,0,0]=2 3677 B10R0.15 CC(=O)OCCSC(C)(C)C 62a_100009814007_100000211941 [0,1,0,0,0,1|0,0,0]=2 3678 B10R0.15 CC(=O)OCCSC(F)(F)F 62a_100009814007_200103152311 [0,1,0,0,0,1|2,0,0]=4 3679 B10R0.15 CC(=O)OCCSC(F)(F)F 62a_200000243211_100009814007 [0,1,0,0,0,1|2,0,0]=4 3680 B10R0.15 CC(=O)OCNCC(F)(F)F 34a_100000717047_100009813279 [0,1,0,0,0,1|2,0,0]=4 3681 B10R0.15 CC(=O)OCOCC(C)(C)F 34a_100000716592_100009813279 [0,1,0,0,0,1|0,0,0]=2 3682 B10R0.15 CC(=O)OCOCC(C)(F)F 34a_100000068830_100009813279 [0,1,0,0,0,1|1,0,0]=3 3683 B10R0.15 CC(=O)OCOCC(F)(F)Br 34a_100011217949_100009813279 [0,1,0,0,0,1|2,0,0]=4 3684 B10R0.15 CC(=O)OCOCC(F)(F)Cl 34a_100000734434_100009813279 [0,1,0,0,0,1|2,0,0]=4 3685 B10R0.15 CC(=O)OCOCC(F)(F)F 34a_100000210435_100009813279 [0,1,0,0,0,1|2,0,0]=4 3686 B10R0.15 CC(=O)OCSCC(C)(C)C 62a_100000076356_100011219605 [0,1,0,0,0,1|0,0,0]=2 3687 B10R0.15 CC(=O)OCSCC(C)(C)C 62a_100011219605_100000076356 [0,1,0,0,0,1|0,0,0]=2 3688 B10R0.15 CC(=O)OCSCC(C)(C)F 62a_100000076356_100011997219 [0,1,0,0,0,1|0,0,0]=2 3689 B10R0.15 CC(=O)OCSCC(C)(C)F 62a_100011997219_100000076356 [0,1,0,0,0,1|0,0,0]=2 3690 B10R0.15 CC(=O)OCSCC(C)(C)O 62a_100000076356_100000764493 [0,1,0,0,0,1|0,0,0]=2 3691 B10R0.15 CC(=O)OCSCC(C)(C)O 62a_100000764493_100000076356 [0,1,0,0,0,1|0,0,0]=2 3692 B10R0.15 CC(=O)OCSCC(F)(F)F 62a_100000076356_100000763148 [0,1,0,0,0,1|2,0,0]=4 3693 B10R0.15 CC(=O)OCSCC(F)(F)F 62a_100000763148_100000076356 [0,1,0,0,0,1|2,0,0]=4 3694 B10R0.15 CC(=O)OCSC[N+](C)(C)C 62a_100000076356_200000036245 [0,1,0,0,0,1|1,0,0]=3 3695 B10R0.15 CC(=O)OCSC[N+](C)(C)C 62a_200000036245_100000076356 [0,1,0,0,0,1|1,0,0]=3 3696 B10R0.15 CC(=O)OCSC[Si](C)(C)C 62a_100000037933_100000076356 [0,1,0,0,0,1|0,1,0]=3 3697 B10R0.15 CC(=O)OCSC[Si](C)(C)C 62a_100000076356_100000037933 [0,1,0,0,0,1|0,1,0]=3 3698 B10R0.15 CC(Br)COCCC(C)(C)C 34a_100012180447_100000755188 [0,1,0,0,0,1|1,0,1]=4 3699 B10R0.15 CC(Br)COCCC(C)(C)O 34a_100012180447_100000702414 [0,1,0,0,0,1|1,0,1]=4 3700 B10R0.15 CC(C)(C)CCNCC(=O)N 2230a_100000711301_100000755188 [0,1,0,0,0,1|2,0,0]=4 3701 B10R0.15 CC(C)(C)CCNCC(=O)N 2230a_100000738805_100000747473 [0,1,0,0,0,1|2,0,0]=4 3702 B10R0.15 CC(C)(C)CCNCC(=O)O 269956a_100016091260_100000755188 [0,1,0,0,0,1|2,0,0]=4 3703 B10R0.15 CC(C)(C)CCOCC(=O)N 7a_100000765024_100000187820 [0,1,0,0,0,1|1,0,0]=3 3704 B10R0.15 CC(C)(C)CCSCC(=O)N 62a_100000747473_100000755188 [0,1,0,0,0,1|1,1,0]=4 3705 B10R0.15 CC(C)(C)CCSCC(=O)N 62a_100000755188_100000747473 [0,1,0,0,0,1|1,1,0]=4 3706 B10R0.15 CC(C)(C)CCSCC(=O)[O-] 62a_100000755188_100020667443 [0,1,0,0,0,1|1,1,0]=4 3707 B10R0.15 CC(C)(C)CCSCC(=O)[O-] 62a_100020667443_100000755188 [0,1,0,0,0,1|1,1,0]=4 3708 B10R0.15 CC(C)(C)CNCCC(=O)N 2230a_100000743828_100000744528 [0,1,0,0,0,1|2,0,0]=4 3709 B10R0.15 CC(C)(C)CNOCC(=O)O 269956a_100000106656_100011219605 [0,1,0,0,0,1|2,0,0]=4 3710 B10R0.15 CC(C)(C)COCCC(=O)N 34a_100000757172_100011219605 [0,1,0,0,0,1|2,0,0]=4 3711 B10R0.15 CC(C)(C)CSCCC(=O)N 62a_100000744528_100011219605 [0,1,0,0,0,1|2,0,0]=4 3712 B10R0.15 CC(C)(C)CSCCC(=O)N 62a_100011219605_100000744528 [0,1,0,0,0,1|2,0,0]=4 3713 B10R0.15 CC(C)(C)NCCCC(=O)N 34a_100000739312_100000210625 [0,1,0,0,0,1|2,0,0]=4 3714 B10R0.15 CC(C)(C)NCCNC(=O)N 2230a_100000715429_200000034859 [0,1,0,0,0,1|2,0,0]=4 3715 B10R0.15 CC(C)(C)NCCNC(=O)N 34a_100020590234_100000210625 [0,1,0,0,0,1|2,0,0]=4 3716 B10R0.15 CC(C)(C)OCCCC(=O)N 34a_100015890283_100102525003 [0,1,0,0,0,1|2,0,0]=4 3717 B10R0.15 CC(C)(C)OCCCC(=O)N 7a_100015890283_100102525003 [0,1,0,0,0,1|2,0,0]=4 3718 B10R0.15 CC(C)(C)OCCNC(=O)N 34a_100000181757_100000210625 [0,1,0,0,0,1|2,0,0]=4 3719 B10R0.15 CC(C)(C)OCCNC(=O)N 7a_100015890283_200000034859 [0,1,0,0,0,1|2,0,0]=4 3720 B10R0.15 CC(C)(C)OCCOC(=O)N 34a_100015890283_200011214921 [0,1,0,0,0,1|1,0,0]=3 3721 B10R0.15 CC(C)(C)OCCOC(=O)N 7a_100015890283_200011214921 [0,1,0,0,0,1|1,0,0]=3 3722 B10R0.15 CC(C)(C)SCCCC(=O)N 62a_100000211941_100102525003 [0,1,0,0,0,1|2,0,0]=4 3723 B10R0.15 CC(C)(C)SCCCC(=O)N 62a_100102525003_100000211941 [0,1,0,0,0,1|2,0,0]=4 3724 B10R0.15 CC(C)(C)SCCNC(=O)N 62a_100000211941_200000034859 [0,1,0,0,0,1|2,0,0]=4 3725 B10R0.15 CC(C)(C)SCCNC(=O)N 62a_200000034859_100000211941 [0,1,0,0,0,1|2,0,0]=4 3726 B10R0.15 CC(C)(C)SCCOC(=O)N 62a_100000211941_200011214921 [0,1,0,0,0,1|1,0,0]=3 3727 B10R0.15 CC(C)(C)SCCOC(=O)N 62a_200011214921_100000211941 [0,1,0,0,0,1|1,0,0]=3 3728 B10R0.15 CC(C)(F)CCNCC(=O)N 2230a_100016253952_100000747473 [0,1,0,0,0,1|2,0,0]=4 3729 B10R0.15 CC(C)(F)CNCCC(=O)N 2230a_100020643315_100000744528 [0,1,0,0,0,1|2,0,0]=4 3730 B10R0.15 CC(C)(F)CNOCC(=O)O 269956a_100000106656_100011997219 [0,1,0,0,0,1|2,0,0]=4 3731 B10R0.15 CC(C)(F)COCCC(=O)N 34a_100000716592_100000731001 [0,1,0,0,0,1|2,0,0]=4 3732 B10R0.15 CC(C)(F)COCCC(=O)N 34a_100000757172_100011997219 [0,1,0,0,0,1|2,0,0]=4 3733 B10R0.15 CC(C)(F)CSCCC(=O)N 62a_100000744528_100011997219 [0,1,0,0,0,1|2,0,0]=4 3734 B10R0.15 CC(C)(F)CSCCC(=O)N 62a_100011997219_100000744528 [0,1,0,0,0,1|2,0,0]=4 3735 B10R0.15 CC(C)(O)CCNCC(=O)N 2230a_100000711301_100000702414 [0,1,0,0,0,1|2,0,0]=4 3736 B10R0.15 CC(C)(O)CCNCC(=O)O 269956a_100016091260_100000702414 [0,1,0,0,0,1|2,0,0]=4 3737 B10R0.15 CC(C)(O)CCSCC(=O)N 62a_100000702414_100000747473 [0,1,0,0,0,1|1,1,0]=4 3738 B10R0.15 CC(C)(O)CCSCC(=O)N 62a_100000747473_100000702414 [0,1,0,0,0,1|1,1,0]=4 3739 B10R0.15 CC(C)(O)CCSCC(=O)[O-] 62a_100000702414_100020667443 [0,1,0,0,0,1|1,1,0]=4 3740 B10R0.15 CC(C)(O)CCSCC(=O)[O-] 62a_100020667443_100000702414 [0,1,0,0,0,1|1,1,0]=4 3741 B10R0.15 CC(C)(O)CNCCC(=O)N 2230a_100000751335_100000744528 [0,1,0,0,0,1|2,0,0]=4 3742 B10R0.15 CC(C)(O)CNOCC(=O)O 269956a_100000106656_100000764493 [0,1,0,0,0,1|2,0,0]=4 3743 B10R0.15 CC(C)(O)COCCC(=O)N 34a_100000757172_100000764493 [0,1,0,0,0,1|2,0,0]=4 3744 B10R0.15 CC(C)(O)COCCC(=O)N 7a_100000757172_100000764493 [0,1,0,0,0,1|2,0,0]=4 3745 B10R0.15 CC(C)(O)CSCCC(=O)N 62a_100000744528_100000764493 [0,1,0,0,0,1|2,0,0]=4 3746 B10R0.15 CC(C)(O)CSCCC(=O)N 62a_100000764493_100000744528 [0,1,0,0,0,1|2,0,0]=4 3747 B10R0.15 CC(C)CCCNS(=O)(=O)C 40a_200000737386_100000738038 [0,1,0,0,0,1|2,0,0]=4 3748 B10R0.15 CC(C)CCCOC(C)(C)C 34a_100000210774_100000210625 [0,1,0,0,0,1|1,0,1]=4 3749 B10R0.15 CC(C)CCCOC(C)(C)C 34a_100015890283_100011214892 [0,1,0,0,0,1|1,0,1]=4 3750 B10R0.15 CC(C)CCCOC(C)(C)C 7a_100015890283_100011214892 [0,1,0,0,0,1|1,0,1]=4 3751 B10R0.15 CC(C)CCOCC(C)(C)C 34a_100000210254_100011219605 [0,1,0,0,0,1|1,0,1]=4 3752 B10R0.15 CC(C)CCOCC(C)(C)F 34a_100000210254_100011997219 [0,1,0,0,0,1|1,0,1]=4 3753 B10R0.15 CC(C)CCOCC(C)(C)F 34a_100000716592_100000210312 [0,1,0,0,0,1|1,0,1]=4 3754 B10R0.15 CC(C)CCOCC(C)(C)O 34a_100000210254_100000764493 [0,1,0,0,0,1|0,0,2]=4 3755 B10R0.15 CC(C)CCOCC(C)(C)O 7a_100000210254_100000764493 [0,1,0,0,0,1|0,0,2]=4 3756 B10R0.15 CC(C)CCOCC(C)(F)F 34a_100000068830_100000210312 [0,1,0,0,0,1|1,0,1]=4 3757 B10R0.15 CC(C)CCOCS(=O)(=O)[O-] 34a_100000210254_100009817235 [0,1,0,0,0,1|2,0,0]=4 3758 B10R0.15 CC(C)CCOC[Si](C)(C)C 7a_100000210254_100000233785 [0,1,0,0,0,1|1,1,0]=4 3759 B10R0.15 CC(C)CNCCS(=O)(=O)C 2230a_100000210953_100000731031 [0,1,0,0,0,1|2,0,0]=4 3760 B10R0.15 CC(C)CNCCS(=O)(=O)C 2230a_100000740961_100000210760 [0,1,0,0,0,1|2,0,0]=4 3761 B10R0.15 CC(C)CNCCS(=O)(=O)C 270004a_100000740961_100000210432 [0,1,0,0,0,1|2,0,0]=4 3762 B10R0.15 CC(C)CNCCS(=O)(=O)C 34a_100000210953_100000731031 [0,1,0,0,0,1|2,0,0]=4 3763 B10R0.15 CC(C)CNCCS(=O)(=O)C 34a_100000740961_100000210624 [0,1,0,0,0,1|2,0,0]=4 3764 B10R0.15 CC(C)COCCC(C)(C)C 34a_100000210257_100000755188 [0,1,0,0,0,1|1,0,1]=4 3765 B10R0.15 CC(C)COCCC(C)(C)C 7a_100000765024_100000210760 [0,1,0,0,0,1|1,0,1]=4 3766 B10R0.15 CC(C)COCCC(C)(C)O 34a_100000210257_100000702414 [0,1,0,0,0,1|1,0,1]=4 3767 B10R0.15 CC(C)COCCS(=O)(=O)C 34a_100000210257_100000731031 [0,1,0,0,0,1|2,0,0]=4 3768 B10R0.15 CC(C)COCCS(=O)(=O)C 34a_100000211924_100000210624 [0,1,0,0,0,1|2,0,0]=4 3769 B10R0.15 CC(C)COCCS(=O)(=O)C 7a_100000211924_100000210760 [0,1,0,0,0,1|2,0,0]=4 3770 B10R0.15 CC(C)CSCCS(=O)(=O)C 62a_100000210624_100000230027 [0,1,0,0,0,1|2,0,0]=4 3771 B10R0.15 CC(C)CSCCS(=O)(=O)C 62a_100000731031_100000210760 [0,1,0,0,0,1|2,0,0]=4 3772 B10R0.15 CC(C)NCCCS(=O)(=O)C 2230a_100000742409_100000210206 [0,1,0,0,0,1|2,0,0]=4 3773 B10R0.15 CC(C)NCCCS(=O)(=O)C 2230a_100138425928_100000754308 [0,1,0,0,0,1|2,0,0]=4 3774 B10R0.15 CC(C)NCCCS(=O)(=O)C 34a_100000742409_100000210206 [0,1,0,0,0,1|2,0,0]=4 3775 B10R0.15 CC(C)NCCCS(=O)(=O)C 34a_100138425928_100000754308 [0,1,0,0,0,1|2,0,0]=4 3776 B10R0.15 CC(C)NCCNS(=O)(=O)C 2230a_100138425928_100000754112 [0,1,0,0,0,1|2,0,0]=4 3777 B10R0.15 CC(C)NCCNS(=O)(=O)C 34a_100000752411_100000210206 [0,1,0,0,0,1|2,0,0]=4 3778 B10R0.15 CC(C)NCCOC(C)(C)C 2230a_100000747557_100000210206 [0,1,0,0,0,1|1,0,1]=4 3779 B10R0.15 CC(C)NCCOC(C)(C)C 34a_100000224655_100000210625 [0,1,0,0,0,1|1,0,1]=4 3780 B10R0.15 CC(C)NCCOS(=O)(=O)C 2230a_100138425928_200000036756 [0,1,0,0,0,1|1,0,0]=3 3781 B10R0.15 CC(C)NCCOS(=O)(=O)C 34a_100138425928_200000036756 [0,1,0,0,0,1|1,0,0]=3 3782 B10R0.15 CC(C)NCCO[Si](C)(C)C 2230a_100138425928_200000032530 [0,1,0,0,0,1|1,1,0]=4 3783 B10R0.15 CC(C)NCCO[Si](C)(C)C 34a_100138425928_200000032530 [0,1,0,0,0,1|1,1,0]=4 3784 B10R0.15 CC(C)OCCCC(C)(C)O 34a_100000212225_100009888830 [0,1,0,0,0,1|1,0,1]=4 3785 B10R0.15 CC(C)OCCCS(=O)(=O)C 34a_100000212225_100000754308 [0,1,0,0,0,1|2,0,0]=4 3786 B10R0.15 CC(C)OCCCS(=O)(=O)C 34a_100000689940_100000210206 [0,1,0,0,0,1|2,0,0]=4 3787 B10R0.15 CC(C)OCCCS(=O)(=O)C 7a_100000689940_100000210206 [0,1,0,0,0,1|2,0,0]=4 3788 B10R0.15 CC(C)OCCNC(C)(C)C 2230a_100000715429_100000211751 [0,1,0,0,0,1|1,0,1]=4 3789 B10R0.15 CC(C)OCCNC(C)(C)C 34a_100000701111_100000210625 [0,1,0,0,0,1|1,0,1]=4 3790 B10R0.15 CC(C)OCCNS(=O)(=O)C 40a_100000701111_100000738038 [0,1,0,0,0,1|2,0,0]=4 3791 B10R0.15 CC(C)OCCOC(C)(C)C 34a_100000211219_100000210625 [0,1,0,0,0,1|1,0,1]=4 3792 B10R0.15 CC(C)OCCOC(C)(C)C 34a_100000693234_100000210206 [0,1,0,0,0,1|1,0,1]=4 3793 B10R0.15 CC(C)OCCOC(C)(C)C 34a_100015890283_100000211751 [0,1,0,0,0,1|1,0,1]=4 3794 B10R0.15 CC(C)OCCOC(C)(C)C 7a_100000693234_100000210206 [0,1,0,0,0,1|1,0,1]=4 3795 B10R0.15 CC(C)OCCOC(C)(C)C 7a_100015890283_100000211751 [0,1,0,0,0,1|1,0,1]=4 3796 B10R0.15 CC(C)OCCOS(=O)(=O)C 34a_100000212225_200000036756 [0,1,0,0,0,1|1,0,0]=3 3797 B10R0.15 CC(C)OCCO[Si](C)(C)C 34a_100000212225_200000032530 [0,1,0,0,0,1|1,1,0]=4 3798 B10R0.15 CC(C)OCCSC(C)(C)C 62a_100000211751_100000211941 [0,1,0,0,0,1|1,0,1]=4 3799 B10R0.15 CC(C)OCCSC(C)(C)C 62a_100000211941_100000211751 [0,1,0,0,0,1|1,0,1]=4 3800 B10R0.15 CC(C)OCNCC(C)(C)C 2230a_100000743828_100000709892 [0,1,0,0,0,1|1,0,1]=4 3801 B10R0.15 CC(C)OCNCC(C)(C)F 2230a_100020643315_100000709892 [0,1,0,0,0,1|1,0,1]=4 3802 B10R0.15 CC(C)OCNCC(C)(C)O 2230a_100000751335_100000709892 [0,1,0,0,0,1|1,0,1]=4 3803 B10R0.15 CC(C)OCOCC(C)(C)F 34a_100000716592_100000709892 [0,1,0,0,0,1|1,0,1]=4 3804 B10R0.15 CC(C)OCSCC(C)(C)C 62a_100000709892_100011219605 [0,1,0,0,0,1|1,0,1]=4 3805 B10R0.15 CC(C)OCSCC(C)(C)C 62a_100011219605_100000709892 [0,1,0,0,0,1|1,0,1]=4 3806 B10R0.15 CC(C)OCSCC(C)(C)F 62a_100000709892_100011997219 [0,1,0,0,0,1|1,0,1]=4 3807 B10R0.15 CC(C)OCSCC(C)(C)F 62a_100011997219_100000709892 [0,1,0,0,0,1|1,0,1]=4 3808 B10R0.15 CC(C)OCSCC(C)(C)O 62a_100000709892_100000764493 [0,1,0,0,0,1|1,0,1]=4 3809 B10R0.15 CC(C)OCSCC(C)(C)O 62a_100000764493_100000709892 [0,1,0,0,0,1|1,0,1]=4 3810 B10R0.15 CC(C)SCCCS(=O)(=O)C 62a_100000210206_100000754308 [0,1,0,0,0,1|2,0,0]=4 3811 B10R0.15 CC(C)SCCCS(=O)(=O)C 62a_100000754308_100000210206 [0,1,0,0,0,1|2,0,0]=4 3812 B10R0.15 CC(C)SCCNS(=O)(=O)C 40a_100000731138_100000738038 [0,1,0,0,0,1|2,0,0]=4 3813 B10R0.15 CC(C)SCCNS(=O)(=O)C 62a_100000210206_100000754112 [0,1,0,0,0,1|2,0,0]=4 3814 B10R0.15 CC(C)SCCNS(=O)(=O)C 62a_100000754112_100000210206 [0,1,0,0,0,1|2,0,0]=4 3815 B10R0.15 CC(C)SCCOC(C)(C)C 34a_100015890283_100000730970 [0,1,0,0,0,1|1,0,1]=4 3816 B10R0.15 CC(C)SCCOC(C)(C)C 34a_200011212901_100000210625 [0,1,0,0,0,1|1,0,1]=4 3817 B10R0.15 CC(C)SCCOC(C)(C)C 7a_100015890283_100000730970 [0,1,0,0,0,1|1,0,1]=4 3818 B10R0.15 CC(C)SCCOS(=O)(=O)C 62a_100000210206_200000036756 [0,1,0,0,0,1|1,0,0]=3 3819 B10R0.15 CC(C)SCCOS(=O)(=O)C 62a_200000036756_100000210206 [0,1,0,0,0,1|1,0,0]=3 3820 B10R0.15 CC(C)SCCO[Si](C)(C)C 62a_100000210206_200000032530 [0,1,0,0,0,1|1,1,0]=4 3821 B10R0.15 CC(C)SCCO[Si](C)(C)C 62a_200000032530_100000210206 [0,1,0,0,0,1|1,1,0]=4 3822 B10R0.15 CC(F)COCCC(C)(C)C 34a_100015925927_100000755188 [0,1,0,0,0,1|1,0,1]=4 3823 B10R0.15 CC(F)COCCC(C)(C)O 34a_100015925927_100000702414 [0,1,0,0,0,1|1,0,1]=4 3824 B10R0.15 CC(O)COCCC(C)(C)C 7a_100000765024_100011218427 [0,1,0,0,0,1|0,0,2]=4 3825 B10R0.15 C[C@@H](Cl)COCCC(C)(C)C 34a_100016084084_100000755188 [0,1,0,0,0,1|1,0,1]=4 3826 B10R0.15 C[C@@H](Cl)COCCC(C)(C)O 34a_100016084084_100000702414 [0,1,0,0,0,1|1,0,1]=4 3827 B10R0.15 C[C@@H](N)COCCC(C)(C)C 34a_100000737577_100000755188 [0,1,0,0,0,1|1,0,1]=4 3828 B10R0.15 C[C@@H](N)COCCC(C)(C)O 34a_100000737577_100000702414 [0,1,0,0,0,1|1,0,1]=4 3829 B10R0.15 C[C@@H](O)COCCC(C)(C)C 7a_100000765024_100009817552 [0,1,0,0,0,1|0,0,2]=4 3830 B10R0.15 C[N+](C)(C)CCOCC(=O)N 7a_200020618287_100000187820 [0,1,0,0,0,1|2,0,0]=4 3831 B10R0.15 C[Si](C)(C)CCOCC(=O)N 7a_100000039746_100000187820 [0,1,0,0,0,1|1,1,0]=4 3832 B10R0.55 C#C/C(=C\COCC(C)C)/C 34a_100016990848_100000210624 [0,1,0,0,0,1|2,0,0]=4 3833 B10R0.55 C#CC(=O)CCCCC(C)C 1458a_100000211873_100011216152 [0,1,0,0,0,1|1,0,1]=4 3834 B10R0.55 C#CC(C)NCCCC(=O)C 34a_100000707721_100000685027 [0,1,0,0,0,1|1,0,1]=4 3835 B10R0.55 C#CC(C)NCCNC(=O)C 2230a_100000707721_100000189650 [0,1,0,0,0,1|1,0,1]=4 3836 B10R0.55 C#CC(C)NCCOC(=O)C 34a_100000707721_100009814007 [0,1,0,0,0,1|0,0,1]=3 3837 B10R0.55 C#CC(C)NCCOC(=O)N 34a_100000707721_200011214921 [0,1,0,0,0,1|1,0,1]=4 3838 B10R0.55 C#CC(C)OCCCC(=O)C 34a_100000759063_200000035995 [0,1,0,0,0,1|1,0,1]=4 3839 B10R0.55 C#CC(C)OCCCC(C)C 34a_100000210774_200000035995 [0,1,0,0,0,1|1,0,1]=4 3840 B10R0.55 C#CC(C)OCCNC(=O)C 34a_100000158858_200000035995 [0,1,0,0,0,1|1,0,1]=4 3841 B10R0.55 C#CC(C)OCCNC(C)C 34a_100000224655_200000035995 [0,1,0,0,0,1|1,0,1]=4 3842 B10R0.55 C#CC(C)OCCOC(C)C 34a_100000211219_200000035995 [0,1,0,0,0,1|1,0,1]=4 3843 B10R0.55 C#CC(C)OCCSC(C)C 34a_200011212901_200000035995 [0,1,0,0,0,1|1,0,1]=4 3844 B10R0.55 C#CC(C)SCCCC(=O)C 62a_200000035995_100011215641 [0,1,0,0,0,1|1,0,1]=4 3845 B10R0.55 C#CC(C)SCCNC(=O)C 62a_200000035995_100000189650 [0,1,0,0,0,1|1,0,1]=4 3846 B10R0.55 C#CC(C)SCCOC(=O)C 62a_200000035995_100009814007 [0,1,0,0,0,1|0,0,1]=3 3847 B10R0.55 C#CC(C)SCCOC(=O)N 62a_200000035995_200011214921 [0,1,0,0,0,1|1,0,1]=4 3848 B10R0.55 C#C[C@@H](C)OCCCC(=O)C 34a_100009815206_100000685027 [0,1,0,0,0,1|1,0,1]=4 3849 B10R0.55 C#C[C@@H](C)OCCCC(=O)C 7a_100009815206_100011215641 [0,1,0,0,0,1|1,0,1]=4 3850 B10R0.55 C#C[C@@H](C)OCCCC(C)C 34a_100009815206_100011214892 [0,1,0,0,0,1|1,0,1]=4 3851 B10R0.55 C#C[C@@H](C)OCCCC(C)C 7a_100009815206_100011214892 [0,1,0,0,0,1|1,0,1]=4 3852 B10R0.55 C#C[C@@H](C)OCCNC(=O)C 7a_100009815206_100000189650 [0,1,0,0,0,1|1,0,1]=4 3853 B10R0.55 C#C[C@@H](C)OCCOC(=O)C 34a_100009815206_100009814007 [0,1,0,0,0,1|0,0,1]=3 3854 B10R0.55 C#C[C@@H](C)OCCOC(=O)C 7a_100009815206_100009814007 [0,1,0,0,0,1|0,0,1]=3 3855 B10R0.55 C#C[C@@H](C)OCCOC(=O)N 34a_100009815206_200011214921 [0,1,0,0,0,1|1,0,1]=4 3856 B10R0.55 C#C[C@@H](C)OCCOC(=O)N 7a_100009815206_200011214921 [0,1,0,0,0,1|1,0,1]=4 3857 B10R0.55 C#C[C@@H](C)OCCOC(C)C 34a_100009815206_100000211751 [0,1,0,0,0,1|1,0,1]=4 3858 B10R0.55 C#C[C@@H](C)OCCOC(C)C 7a_100009815206_100000211751 [0,1,0,0,0,1|1,0,1]=4 3859 B10R0.55 C#C[C@@H](C)OCCSC(C)C 34a_100009815206_100000730970 [0,1,0,0,0,1|1,0,1]=4 3860 B10R0.55 C#C[C@@H](C)OCCSC(C)C 7a_100009815206_100000730970 [0,1,0,0,0,1|1,0,1]=4 3861 B10R0.55 C=C(C#N)COCCC(C)C 34a_100000210254_100000694840 [0,1,0,0,0,1|1,0,1]=4 3862 B10R0.55 C=C(C)CCNCC(C)CC 2230a_100020588543_100000730704 [0,1,0,0,0,1|2,0,0]=4 3863 B10R0.55 C=C(C)CCNCC(C)CO 34a_100000744482_100000730704 [0,1,0,0,0,1|2,0,0]=4 3864 B10R0.55 C=C(C)CCNC[C@@H](C)OC 2230a_100020591295_100000730704 [0,1,0,0,0,1|2,0,0]=4 3865 B10R0.55 C=C(C)CCOCC(=O)CC 34a_100000725409_100000730704 [0,1,0,0,0,1|0,0,2]=4 3866 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000750040_100000730704 [0,1,0,0,0,1|0,0,2]=4 3867 B10R0.55 C=C(C)CCOCC(=O)NC 34a_100000764851_100000183359 [0,1,0,0,0,1|0,0,2]=4 3868 B10R0.55 C=C(C)CCOCC(=O)OC 34a_100000764851_100000747449 [0,1,0,0,0,1|0,0,2]=4 3869 B10R0.55 C=C(C)CCOCC(C)CC 34a_100000764851_100000748023 [0,1,0,0,0,1|2,0,0]=4 3870 B10R0.55 C=C(C)CCOCC(C)CN 34a_100000744482_100000730704 [0,1,0,0,0,1|2,0,0]=4 3871 B10R0.55 C=C(C)CCOCC(C)OC 34a_100000690652_100000730704 [0,1,0,0,0,1|2,0,0]=4 3872 B10R0.55 C=C(C)CCOC[C@@H](C)CC 34a_100000764851_100009816398 [0,1,0,0,0,1|2,0,0]=4 3873 B10R0.55 C=C(C)CCOC[C@@H](C)CC 7a_100009816381_100000730704 [0,1,0,0,0,1|2,0,0]=4 3874 B10R0.55 C=C(C)CCOC[C@@H](C)CO 34a_100000764851_100000059175 [0,1,0,0,0,1|2,0,0]=4 3875 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000730704_100000748023 [0,1,0,0,0,1|2,0,0]=4 3876 B10R0.55 C=C(C)CCSCC(C)CC 62a_100000748023_100000730704 [0,1,0,0,0,1|2,0,0]=4 3877 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100000730704_100009816398 [0,1,0,0,0,1|2,0,0]=4 3878 B10R0.55 C=C(C)CCSC[C@@H](C)CC 62a_100009816398_100000730704 [0,1,0,0,0,1|2,0,0]=4 3879 B10R0.55 C=C(C)CCSC[C@@H](C)CO 62a_100000059175_100000730704 [0,1,0,0,0,1|2,0,0]=4 3880 B10R0.55 C=C(C)CCSC[C@@H](C)CO 62a_100000730704_100000059175 [0,1,0,0,0,1|2,0,0]=4 3881 B10R0.55 C=C(C)CNCCC(C)CC 2230a_100020591266_100000748629 [0,1,0,0,0,1|2,0,0]=4 3882 B10R0.55 C=C(C)CNCCC(C)CO 2230a_106354213184_100000748629 [0,1,0,0,0,1|2,0,0]=4 3883 B10R0.55 C=C(C)CNCCC(C)CO 34a_106354213184_100000748629 [0,1,0,0,0,1|2,0,0]=4 3884 B10R0.55 C=C(C)COCCC(C)CC 7a_100011215188_100000748629 [0,1,0,0,0,1|1,0,0]=3 3885 B10R0.55 C=C(C)COCCC(C)OC 7a_100000764861_100000748629 [0,1,0,0,0,1|1,0,0]=3 3886 B10R0.55 C=C(C)CSCOC(=O)OC 62a_100000748629_100000139417 [0,1,0,0,0,1|0,0,2]=4 3887 B10R0.55 C=C(F)COCCC(C)CC 7a_100011215188_100000042424 [0,1,0,0,0,1|1,0,1]=4 3888 B10R0.55 C=C(F)COCCC(C)OC 7a_100000764861_100000042424 [0,1,0,0,0,1|1,0,1]=4 3889 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [0,1,0,0,0,1|1,0,1]=4 3890 B10R0.55 C=CC(=O)NCCCC(C)C 1626a_200000737386_100000185746 [0,1,0,0,0,1|1,0,1]=4 3891 B10R0.55 C=CC(=O)NCCCC(C)C 240690a_200000737386_200121576911 [0,1,0,0,0,1|1,0,1]=4 3892 B10R0.55 C=CC(=O)NCCNC(C)C 2230a_114873766552_100000210206 [0,1,0,0,0,1|1,0,1]=4 3893 B10R0.55 C=CC(=O)NCCOC(C)C 1626a_100000701111_100000185746 [0,1,0,0,0,1|1,0,1]=4 3894 B10R0.55 C=CC(=O)NCCOC(C)C 240690a_100000701111_200121576911 [0,1,0,0,0,1|1,0,1]=4 3895 B10R0.55 C=CC(=O)NCCOC(C)C 34a_100011304386_100000210206 [0,1,0,0,0,1|1,0,1]=4 3896 B10R0.55 C=CC(=O)NCCSC(C)C 1626a_100000731138_100000185746 [0,1,0,0,0,1|1,0,1]=4 3897 B10R0.55 C=CC(=O)NCCSC(C)C 240690a_100000731138_200121576911 [0,1,0,0,0,1|1,0,1]=4 3898 B10R0.55 C=CC(=O)OCCNC(C)C 2230a_100138425928_100009813456 [0,1,0,0,0,1|0,0,1]=3 3899 B10R0.55 C=CC(=O)OCCNC(C)C 34a_100138425928_100009813456 [0,1,0,0,0,1|0,0,1]=3 3900 B10R0.55 C=CC(=O)OCCOC(C)C 34a_100000212225_100009813456 [0,1,0,0,0,1|0,0,1]=3 3901 B10R0.55 C=CC(=O)OCCSC(C)C 62a_100000210206_100009813456 [0,1,0,0,0,1|0,0,1]=3 3902 B10R0.55 C=CC(=O)OCCSC(C)C 62a_100009813456_100000210206 [0,1,0,0,0,1|0,0,1]=3 3903 B10R0.55 C=CC(C)COCCC(=O)C 7a_100011215527_100000053229 [0,1,0,0,0,1|1,0,1]=4 3904 B10R0.55 C=CC(C)COCCC(C)C 34a_100011215527_100000210312 [0,1,0,0,0,1|1,0,1]=4 3905 B10R0.55 C=CC(C)COCCC(C)C 7a_100011215527_100000210626 [0,1,0,0,0,1|1,0,1]=4 3906 B10R0.55 C=CC(C)COCOC(=O)C 34a_100011215527_100009813279 [0,1,0,0,0,1|0,0,1]=3 3907 B10R0.55 C=CC(C)OCCCC(=O)C 34a_100000695699_100000685027 [0,1,0,0,0,1|1,0,1]=4 3908 B10R0.55 C=CC(C)OCCCC(C)C 34a_100000695699_100011214892 [0,1,0,0,0,1|1,0,1]=4 3909 B10R0.55 C=CC(C)OCCOC(=O)C 34a_100000695699_100009814007 [0,1,0,0,0,1|0,0,1]=3 3910 B10R0.55 C=CC(C)OCCOC(=O)N 34a_100000695699_200011214921 [0,1,0,0,0,1|1,0,1]=4 3911 B10R0.55 C=CC(C)OCCOC(C)C 34a_100000695699_100000211751 [0,1,0,0,0,1|1,0,1]=4 3912 B10R0.55 C=CC(C)OCCSC(C)C 34a_100000695699_100000730970 [0,1,0,0,0,1|1,0,1]=4 3913 B10R0.55 C=CC(C)SCCCC(=O)C 62a_100011215867_100011215641 [0,1,0,0,0,1|1,0,1]=4 3914 B10R0.55 C=CC(C)SCCNC(=O)C 62a_100011215867_100000189650 [0,1,0,0,0,1|1,0,1]=4 3915 B10R0.55 C=CC(C)SCCOC(=O)C 62a_100011215867_100009814007 [0,1,0,0,0,1|0,0,1]=3 3916 B10R0.55 C=CC(C)SCCOC(=O)N 62a_100011215867_200011214921 [0,1,0,0,0,1|1,0,1]=4 3917 B10R0.55 C=CC(O)CSCOC(=O)C 62a_100000076356_100000730141 [0,1,0,0,0,1|1,0,1]=4 3918 B10R0.55 C=CC(O)CSCOC(=O)C 62a_100000730141_100000076356 [0,1,0,0,0,1|1,0,1]=4 3919 B10R0.55 C=C[C@H](N)COCOC(=O)C 34a_100016989147_100009813279 [0,1,0,0,0,1|1,0,1]=4 3920 B10R0.55 CC(=CCCN[C@H](C)CO)C 2230a_100000737577_100011217483 [0,1,0,0,0,1|2,0,0]=4 3921 B10R0.55 CC(=CCCOC(C)CF)C 34a_100016041109_100011217483 [0,1,0,0,0,1|2,0,0]=4 3922 B10R0.55 CC(=CCCOC(C)CF)C 7a_100016041109_100011217483 [0,1,0,0,0,1|2,0,0]=4 3923 B10R0.55 CC(=CCCOC(C)CN)C 34a_100000210904_100011217483 [0,1,0,0,0,1|2,0,0]=4 3924 B10R0.55 CC(=CCCSC(C)CO)C 62a_100012180447_100011217483 [0,1,0,0,0,1|2,0,0]=4 3925 B10R0.55 CC(=CCCS[C@H](C)CO)C 62a_100011217483_100016084084 [0,1,0,0,0,1|2,0,0]=4 3926 B10R0.55 CC(=CCCS[C@H](C)CO)C 62a_100016084084_100011217483 [0,1,0,0,0,1|2,0,0]=4 3927 B10R0.55 CC(=CCNCC(C)CO)C 34a_100000744482_100000761012 [0,1,0,0,0,1|2,0,0]=4 3928 B10R0.55 CC(=CCNC[C@@H](C)CO)C 34a_100000718196_100000059175 [0,1,0,0,0,1|2,0,0]=4 3929 B10R0.55 CC(=CCOCC(C)CN)C 34a_100000744482_100000761012 [0,1,0,0,0,1|2,0,0]=4 3930 B10R0.55 CC(=CCOC[C@@H](C)CO)C 34a_100000753907_100000059175 [0,1,0,0,0,1|2,0,0]=4 3931 B10R0.55 CC(=CCSC[C@@H](C)CO)C 62a_100000059175_100000761012 [0,1,0,0,0,1|2,0,0]=4 3932 B10R0.55 CC(=CCSC[C@@H](C)CO)C 62a_100000761012_100000059175 [0,1,0,0,0,1|2,0,0]=4 3933 B10R0.55 CC(=O)CCCOC(C)C#N 34a_100011218135_100000685027 [0,1,0,0,0,1|1,0,1]=4 3934 B10R0.55 CC(=O)CCCOC(C)C#N 7a_100000759063_100000703298 [0,1,0,0,0,1|1,0,1]=4 3935 B10R0.55 CC(=O)CCCOC(C)CF 34a_100016041109_100000685027 [0,1,0,0,0,1|1,0,0]=3 3936 B10R0.55 CC(=O)CCCOC(C)CF 7a_100016041109_100011215641 [0,1,0,0,0,1|1,0,0]=3 3937 B10R0.55 CC(=O)CCCOC(C)CN 34a_100000210904_100000685027 [0,1,0,0,0,1|1,0,0]=3 3938 B10R0.55 CC(=O)CCCOC(C)CO 34a_100000759063_100012180447 [0,1,0,0,0,1|1,0,0]=3 3939 B10R0.55 CC(=O)CCCOC(C)CO 7a_100000759063_100012180447 [0,1,0,0,0,1|1,0,0]=3 3940 B10R0.55 CC(=O)CCCSC(C)C#N 62a_100000703298_100011215641 [0,1,0,0,0,1|1,0,1]=4 3941 B10R0.55 CC(=O)CCCSC(C)C#N 62a_100011215641_100000703298 [0,1,0,0,0,1|1,0,1]=4 3942 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [0,1,0,0,0,1|1,0,0]=3 3943 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [0,1,0,0,0,1|1,0,0]=3 3944 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [0,1,0,0,0,1|1,0,0]=3 3945 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [0,1,0,0,0,1|2,0,0]=4 3946 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [0,1,0,0,0,1|2,0,0]=4 3947 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [0,1,0,0,0,1|1,0,0]=3 3948 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [0,1,0,0,0,1|1,0,0]=3 3949 B10R0.55 CC(=O)CCOC[C@@H](O)CF 34a_100000759926_100015614560 [0,1,0,0,0,1|2,0,0]=4 3950 B10R0.55 CC(=O)CCOC[C@@H](O)CF 7a_100000759926_100015614560 [0,1,0,0,0,1|2,0,0]=4 3951 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [0,1,0,0,0,1|2,0,0]=4 3952 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [0,1,0,0,0,1|2,0,0]=4 3953 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [0,1,0,0,0,1|2,0,0]=4 3954 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [0,1,0,0,0,1|2,0,0]=4 3955 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [0,1,0,0,0,1|1,0,0]=3 3956 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [0,1,0,0,0,1|1,0,0]=3 3957 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100000053229_100015614560 [0,1,0,0,0,1|2,0,0]=4 3958 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000053229 [0,1,0,0,0,1|2,0,0]=4 3959 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [0,1,0,0,0,1|2,0,0]=4 3960 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [0,1,0,0,0,1|2,0,0]=4 3961 B10R0.55 CC(=O)NCCNC(C)C#N 2230a_100000209853_100000184139 [0,1,0,0,0,1|1,0,1]=4 3962 B10R0.55 CC(=O)NCCNC(C)C#N 2230a_100000737613_100000189650 [0,1,0,0,0,1|1,0,1]=4 3963 B10R0.55 CC(=O)NCCNC(C)CO 2230a_100000209853_100012180447 [0,1,0,0,0,1|1,0,0]=3 3964 B10R0.55 CC(=O)NCCN[C@H](C)CO 2230a_100000737577_100000189650 [0,1,0,0,0,1|1,0,0]=3 3965 B10R0.55 CC(=O)NCCOC(C)CF 7a_100016041109_100000189650 [0,1,0,0,0,1|1,0,0]=3 3966 B10R0.55 CC(=O)NCCOC(C)CO 34a_100000158858_100012180447 [0,1,0,0,0,1|1,0,0]=3 3967 B10R0.55 CC(=O)NCCSC(C)C#N 62a_100000189650_100000703298 [0,1,0,0,0,1|1,0,1]=4 3968 B10R0.55 CC(=O)NCCSC(C)C#N 62a_100000703298_100000189650 [0,1,0,0,0,1|1,0,1]=4 3969 B10R0.55 CC(=O)NCCSC(C)CO 62a_100012180447_100000189650 [0,1,0,0,0,1|1,0,0]=3 3970 B10R0.55 CC(=O)NCCS[C@H](C)CO 62a_100000189650_100016084084 [0,1,0,0,0,1|1,0,0]=3 3971 B10R0.55 CC(=O)NCCS[C@H](C)CO 62a_100016084084_100000189650 [0,1,0,0,0,1|1,0,0]=3 3972 B10R0.55 CC(=O)OCCCC(=O)CO 1458a_100000210174_100000042594 [0,1,0,0,0,1|1,0,1]=4 3973 B10R0.55 CC(=O)OCCNC(=O)CO 240690a_100000724843_100000210174 [0,1,0,0,0,1|1,0,1]=4 3974 B10R0.55 CC(=O)OCCNC(=O)CO 527a_100000724843_100000210174 [0,1,0,0,0,1|1,0,1]=4 3975 B10R0.55 CC(=O)OCCOC(C)C#N 34a_100011218135_100009814007 [0,1,0,0,0,1|0,0,1]=3 3976 B10R0.55 CC(=O)OCCOC(C)CF 34a_100016041109_100009814007 [0,1,0,0,0,1|0,0,0]=2 3977 B10R0.55 CC(=O)OCCOC(C)CF 7a_100016041109_100009814007 [0,1,0,0,0,1|0,0,0]=2 3978 B10R0.55 CC(=O)OCCOC(C)CN 34a_100000210904_100009814007 [0,1,0,0,0,1|0,0,0]=2 3979 B10R0.55 CC(=O)OCCSC(C)C#N 62a_100000703298_100009814007 [0,1,0,0,0,1|0,0,1]=3 3980 B10R0.55 CC(=O)OCCSC(C)C#N 62a_100009814007_100000703298 [0,1,0,0,0,1|0,0,1]=3 3981 B10R0.55 CC(=O)OCCSC(C)CO 62a_100012180447_100009814007 [0,1,0,0,0,1|0,0,0]=2 3982 B10R0.55 CC(=O)OCCSC(F)C#N 62a_100009814007_200000117898 [0,1,0,0,0,1|1,0,1]=4 3983 B10R0.55 CC(=O)OCCSC(F)C#N 62a_200000117898_100009814007 [0,1,0,0,0,1|1,0,1]=4 3984 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100009814007_100016084084 [0,1,0,0,0,1|0,0,0]=2 3985 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100016084084_100009814007 [0,1,0,0,0,1|0,0,0]=2 3986 B10R0.55 CC(=O)OCNCC(C)CO 34a_100000744482_100009813279 [0,1,0,0,0,1|0,0,0]=2 3987 B10R0.55 CC(=O)OCNC[C@@H](F)CO 34a_100015665980_100009813279 [0,1,0,0,0,1|1,0,0]=3 3988 B10R0.55 CC(=O)OCOCC(C)CN 34a_100000744482_100009813279 [0,1,0,0,0,1|0,0,0]=2 3989 B10R0.55 CC(=O)OCOCC(Cl)CCl 34a_100000033668_100009813279 [0,1,0,0,0,1|1,0,0]=3 3990 B10R0.55 CC(=O)OCOC[C@H](F)CN 34a_100015665980_100009813279 [0,1,0,0,0,1|1,0,0]=3 3991 B10R0.55 CC(=O)OCSCC(O)CO 62a_100000076356_100011219619 [0,1,0,0,0,1|1,0,0]=3 3992 B10R0.55 CC(=O)OCSCC(O)CO 62a_100011219619_100000076356 [0,1,0,0,0,1|1,0,0]=3 3993 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000076356 [0,1,0,0,0,1|0,0,0]=2 3994 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000076356_100000059175 [0,1,0,0,0,1|0,0,0]=2 3995 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100000076356_100015614560 [0,1,0,0,0,1|1,0,0]=3 3996 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000076356 [0,1,0,0,0,1|1,0,0]=3 3997 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100000076356_100009815848 [0,1,0,0,0,1|1,0,0]=3 3998 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000076356 [0,1,0,0,0,1|1,0,0]=3 3999 B10R0.55 CC(C#N)OCCOC(=O)N 34a_100011218135_200011214921 [0,1,0,0,0,1|1,0,1]=4 4000 B10R0.55 CC(C#N)OCCOC(=O)N 7a_100000766696_100000703298 [0,1,0,0,0,1|1,0,1]=4 4001 B10R0.55 CC(C#N)OCCSC(C)C 34a_100011218135_100000730970 [0,1,0,0,0,1|1,0,1]=4 4002 B10R0.55 CC(C#N)OCCSC(C)C 7a_200011212901_100000703298 [0,1,0,0,0,1|1,0,1]=4 4003 B10R0.55 CC(C#N)SCCOC(=O)N 62a_100000703298_200011214921 [0,1,0,0,0,1|1,0,1]=4 4004 B10R0.55 CC(C#N)SCCOC(=O)N 62a_200011214921_100000703298 [0,1,0,0,0,1|1,0,1]=4 4005 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,1,0,0,0,1|1,0,0]=3 4006 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,1,0,0,0,1|1,0,0]=3 4007 B10R0.55 CC(C)CCCNC(=O)CO 240690a_200000737386_100000210174 [0,1,0,0,0,1|1,0,0]=3 4008 B10R0.55 CC(C)CCCNC(=O)CO 527a_200000737386_100000210174 [0,1,0,0,0,1|1,0,0]=3 4009 B10R0.55 CC(C)CCCOC(C)C#N 34a_100011218135_100011214892 [0,1,0,0,0,1|1,0,1]=4 4010 B10R0.55 CC(C)CCCOC(C)C#N 7a_100000210774_100000703298 [0,1,0,0,0,1|1,0,1]=4 4011 B10R0.55 CC(C)CCCOC(C)CF 34a_100016041109_100011214892 [0,1,0,0,0,1|1,0,1]=4 4012 B10R0.55 CC(C)CCCOC(C)CF 7a_100016041109_100011214892 [0,1,0,0,0,1|1,0,1]=4 4013 B10R0.55 CC(C)CCCOC(C)CN 34a_100000210904_100011214892 [0,1,0,0,0,1|1,0,1]=4 4014 B10R0.55 CC(C)CCCOC(C)CO 34a_100000210774_100012180447 [0,1,0,0,0,1|0,0,2]=4 4015 B10R0.55 CC(C)CCCOC(C)CO 7a_100000210774_100012180447 [0,1,0,0,0,1|0,0,2]=4 4016 B10R0.55 CC(C)CCOCC(C)CN 34a_100000744482_100000210312 [0,1,0,0,0,1|1,0,1]=4 4017 B10R0.55 CC(C)CCOCC(Cl)CCl 34a_100000033668_100000210312 [0,1,0,0,0,1|1,0,1]=4 4018 B10R0.55 CC(C)CCOCC(O)CO 34a_100000210254_100011219619 [0,1,0,0,0,1|0,0,2]=4 4019 B10R0.55 CC(C)CCOCC(O)CO 7a_100000210254_100011219619 [0,1,0,0,0,1|0,0,2]=4 4020 B10R0.55 CC(C)CCOC[C@@H](C)CO 34a_100000210254_100000059175 [0,1,0,0,0,1|0,0,2]=4 4021 B10R0.55 CC(C)CCOC[C@@H](C)CO 7a_100000210254_100000059175 [0,1,0,0,0,1|0,0,2]=4 4022 B10R0.55 CC(C)CCOC[C@@H](O)CF 34a_100000210254_100015614560 [0,1,0,0,0,1|0,0,2]=4 4023 B10R0.55 CC(C)CCOC[C@@H](O)CF 7a_100000210254_100015614560 [0,1,0,0,0,1|0,0,2]=4 4024 B10R0.55 CC(C)CCOC[C@@H](O)CO 34a_100000210254_100009815848 [0,1,0,0,0,1|0,0,2]=4 4025 B10R0.55 CC(C)CCOC[C@@H](O)CO 7a_100000210254_100009815848 [0,1,0,0,0,1|0,0,2]=4 4026 B10R0.55 CC(C)CCOC[C@H](F)CN 34a_100015665980_100000210312 [0,1,0,0,0,1|1,0,1]=4 4027 B10R0.55 CC(C)NCCOC(C)CO 34a_100000224655_100012180447 [0,1,0,0,0,1|0,0,2]=4 4028 B10R0.55 CC(C)OCCCC(=O)NN 34a_100000211488_100000210206 [0,1,0,0,0,1|2,0,0]=4 4029 B10R0.55 CC(C)OCCC[C@@H](C)CN 34a_100160569302_100000210206 [0,1,0,0,0,1|1,0,1]=4 4030 B10R0.55 CC(C)OCCNC(=O)CO 240690a_100000701111_100000210174 [0,1,0,0,0,1|1,0,0]=3 4031 B10R0.55 CC(C)OCCNC(=O)CO 527a_100000701111_100000210174 [0,1,0,0,0,1|1,0,0]=3 4032 B10R0.55 CC(C)OCCN[C@H](C)CO 2230a_100000737577_100000211751 [0,1,0,0,0,1|1,0,1]=4 4033 B10R0.55 CC(C)OCCOC(C)C#N 34a_100011218135_100000211751 [0,1,0,0,0,1|1,0,1]=4 4034 B10R0.55 CC(C)OCCOC(C)C#N 7a_100000211219_100000703298 [0,1,0,0,0,1|1,0,1]=4 4035 B10R0.55 CC(C)OCCOC(C)CF 34a_100016041109_100000211751 [0,1,0,0,0,1|1,0,1]=4 4036 B10R0.55 CC(C)OCCOC(C)CF 7a_100016041109_100000211751 [0,1,0,0,0,1|1,0,1]=4 4037 B10R0.55 CC(C)OCCOC(C)CN 34a_100000210904_100000211751 [0,1,0,0,0,1|1,0,1]=4 4038 B10R0.55 CC(C)OCCOC(C)CO 34a_100000211219_100012180447 [0,1,0,0,0,1|0,0,2]=4 4039 B10R0.55 CC(C)OCCOC(C)CO 7a_100000211219_100012180447 [0,1,0,0,0,1|0,0,2]=4 4040 B10R0.55 CC(C)OCCSC(C)CO 62a_100012180447_100000211751 [0,1,0,0,0,1|1,0,1]=4 4041 B10R0.55 CC(C)OCCS[C@H](C)CO 62a_100000211751_100016084084 [0,1,0,0,0,1|1,0,1]=4 4042 B10R0.55 CC(C)OCCS[C@H](C)CO 62a_100016084084_100000211751 [0,1,0,0,0,1|1,0,1]=4 4043 B10R0.55 CC(C)OCSC[C@@H](C)CO 62a_100000059175_100000709892 [0,1,0,0,0,1|1,0,1]=4 4044 B10R0.55 CC(C)OCSC[C@@H](C)CO 62a_100000709892_100000059175 [0,1,0,0,0,1|1,0,1]=4 4045 B10R0.55 CC(C)SCCNC(=O)CO 240690a_100000731138_100000210174 [0,1,0,0,0,1|1,0,0]=3 4046 B10R0.55 CC(C)SCCNC(=O)CO 527a_100000731138_100000210174 [0,1,0,0,0,1|1,0,0]=3 4047 B10R0.55 CC(CF)OCCCC(=O)N 34a_100016041109_100102525003 [0,1,0,0,0,1|2,0,0]=4 4048 B10R0.55 CC(CF)OCCCC(=O)N 7a_100016041109_100102525003 [0,1,0,0,0,1|2,0,0]=4 4049 B10R0.55 CC(CF)OCCNC(=O)N 7a_100016041109_200000034859 [0,1,0,0,0,1|2,0,0]=4 4050 B10R0.55 CC(CF)OCCOC(=O)N 34a_100016041109_200011214921 [0,1,0,0,0,1|1,0,0]=3 4051 B10R0.55 CC(CF)OCCOC(=O)N 7a_100016041109_200011214921 [0,1,0,0,0,1|1,0,0]=3 4052 B10R0.55 CC(CF)OCCSC(C)C 34a_100016041109_100000730970 [0,1,0,0,0,1|1,0,1]=4 4053 B10R0.55 CC(CF)OCCSC(C)C 7a_100016041109_100000730970 [0,1,0,0,0,1|1,0,1]=4 4054 B10R0.55 CC(CN)COCCC(=O)N 34a_100000744482_100000731001 [0,1,0,0,0,1|2,0,0]=4 4055 B10R0.55 CC(CN)COCOC(C)C 34a_100000744482_100000709892 [0,1,0,0,0,1|1,0,1]=4 4056 B10R0.55 CC(CN)OCCCC(=O)N 34a_100000210904_100102525003 [0,1,0,0,0,1|2,0,0]=4 4057 B10R0.55 CC(CN)OCCOC(=O)N 34a_100000210904_200011214921 [0,1,0,0,0,1|1,0,0]=3 4058 B10R0.55 CC(CN)OCCSC(C)C 34a_100000210904_100000730970 [0,1,0,0,0,1|1,0,1]=4 4059 B10R0.55 CC(CO)CCNCC(=O)N 2230a_106354213184_100000747473 [0,1,0,0,0,1|2,0,0]=4 4060 B10R0.55 CC(CO)CCNCC(=O)N 34a_106354213184_100000187820 [0,1,0,0,0,1|2,0,0]=4 4061 B10R0.55 CC(CO)CCNCC(=O)[O-] 34a_106354213184_100020667443 [0,1,0,0,0,1|2,0,0]=4 4062 B10R0.55 CC(CO)CNCCC(=O)N 34a_100000744482_100000731001 [0,1,0,0,0,1|2,0,0]=4 4063 B10R0.55 CC(CO)CNCOC(C)C 34a_100000744482_100000709892 [0,1,0,0,0,1|1,0,1]=4 4064 B10R0.55 CC(CO)NCCCC(=O)N 34a_100000739312_100012180447 [0,1,0,0,0,1|2,0,0]=4 4065 B10R0.55 CC(CO)NCCCS(=O)C 2230a_200000753449_100012180447 [0,1,0,0,0,1|2,0,0]=4 4066 B10R0.55 CC(CO)NCCNC(=O)N 34a_100020590234_100012180447 [0,1,0,0,0,1|2,0,0]=4 4067 B10R0.55 CC(CO)NCCOC(C)C 2230a_100000701111_100012180447 [0,1,0,0,0,1|1,0,1]=4 4068 B10R0.55 CC(CO)NCCOC(C)C 34a_100000701111_100012180447 [0,1,0,0,0,1|1,0,1]=4 4069 B10R0.55 CC(CO)OCCNC(=O)N 34a_100000181757_100012180447 [0,1,0,0,0,1|2,0,0]=4 4070 B10R0.55 CC(CO)OCCOC(=O)N 7a_100000766696_100012180447 [0,1,0,0,0,1|1,0,0]=3 4071 B10R0.55 CC(CO)OCCSC(C)C 34a_200011212901_100012180447 [0,1,0,0,0,1|0,0,2]=4 4072 B10R0.55 CC(CO)OCCSC(C)C 7a_200011212901_100012180447 [0,1,0,0,0,1|0,0,2]=4 4073 B10R0.55 CC(CO)SCCCC(=O)N 62a_100012180447_100102525003 [0,1,0,0,0,1|2,0,0]=4 4074 B10R0.55 CC(CO)SCCNC(=O)N 62a_100012180447_200000034859 [0,1,0,0,0,1|2,0,0]=4 4075 B10R0.55 CC(CO)SCCOC(=O)N 62a_100012180447_200011214921 [0,1,0,0,0,1|1,0,0]=3 4076 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,1,0,0,0,1|1,0,0]=3 4077 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,1,0,0,0,1|1,0,0]=3 4078 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,1,0,0,0,1|1,0,1]=4 4079 B10R0.55 CCC(=O)COCC=C(C)C 34a_100000725409_100000761012 [0,1,0,0,0,1|0,0,2]=4 4080 B10R0.55 CCC(=O)COCCC(=O)C 7a_100000759926_100000747405 [0,1,0,0,0,1|1,0,1]=4 4081 B10R0.55 CCC(=O)COCCC(C)C 34a_100000725409_100000210312 [0,1,0,0,0,1|0,0,0]=2 4082 B10R0.55 CCC(=O)COCCC(C)C 7a_100000210254_100000747405 [0,1,0,0,0,1|0,0,0]=2 4083 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,1,0,0,0,1|1,0,0]=3 4084 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [0,1,0,0,0,1|1,0,1]=4 4085 B10R0.55 CCC(=O)COCOC(C)C 34a_100000725409_100000709892 [0,1,0,0,0,1|1,0,0]=3 4086 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000210312_100000747405 [0,1,0,0,0,1|0,1,0]=3 4087 B10R0.55 CCC(=O)CSCCC(C)C 62a_100000747405_100000210312 [0,1,0,0,0,1|0,1,0]=3 4088 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,1,0,0,0,1|1,1,0]=4 4089 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,1,0,0,0,1|1,1,0]=4 4090 B10R0.55 CCC(=O)CSCCN(C)C 62a_100000747405_100000755713 [0,1,0,0,0,1|1,1,0]=4 4091 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [0,1,0,0,0,1|1,0,1]=4 4092 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [0,1,0,0,0,1|1,0,1]=4 4093 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000709892_100000747405 [0,1,0,0,0,1|1,1,0]=4 4094 B10R0.55 CCC(=O)CSCOC(C)C 62a_100000747405_100000709892 [0,1,0,0,0,1|1,1,0]=4 4095 B10R0.55 CCC(=O)NCCCC(C)C 11a_200000737386_100000210414 [0,1,0,0,0,1|1,0,0]=3 4096 B10R0.55 CCC(=O)NCCCC(C)C 1626a_200000737386_100000210414 [0,1,0,0,0,1|1,0,0]=3 4097 B10R0.55 CCC(=O)NCCCC(C)C 240690a_200000737386_100000210414 [0,1,0,0,0,1|1,0,0]=3 4098 B10R0.55 CCC(=O)NCCCC(C)C 527a_200000737386_100000210414 [0,1,0,0,0,1|1,0,0]=3 4099 B10R0.55 CCC(=O)NCCCN(C)C 240690a_102531767803_100000210414 [0,1,0,0,0,1|2,0,0]=4 4100 B10R0.55 CCC(=O)NCCCN(C)C 527a_102531767803_100000210414 [0,1,0,0,0,1|2,0,0]=4 4101 B10R0.55 CCC(=O)NCCNC(C)C 34a_100132302217_100000210206 [0,1,0,0,0,1|1,0,0]=3 4102 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,1,0,0,0,1|1,0,1]=4 4103 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,1,0,0,0,1|1,0,1]=4 4104 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,1,0,0,0,1|1,0,1]=4 4105 B10R0.55 CCC(=O)NCCOC(C)C 11a_100000701111_100000210414 [0,1,0,0,0,1|1,0,0]=3 4106 B10R0.55 CCC(=O)NCCOC(C)C 1626a_100000701111_100000210414 [0,1,0,0,0,1|1,0,0]=3 4107 B10R0.55 CCC(=O)NCCOC(C)C 240690a_100000701111_100000210414 [0,1,0,0,0,1|1,0,0]=3 4108 B10R0.55 CCC(=O)NCCOC(C)C 34a_200000158885_100000210206 [0,1,0,0,0,1|1,0,0]=3 4109 B10R0.55 CCC(=O)NCCOC(C)C 527a_100000701111_100000210414 [0,1,0,0,0,1|1,0,0]=3 4110 B10R0.55 CCC(=O)NCCOC(C)C 7a_200000158885_100000210206 [0,1,0,0,0,1|1,0,0]=3 4111 B10R0.55 CCC(=O)NCCSC(C)C 11a_100000731138_100000210414 [0,1,0,0,0,1|1,0,0]=3 4112 B10R0.55 CCC(=O)NCCSC(C)C 1626a_100000731138_100000210414 [0,1,0,0,0,1|1,0,0]=3 4113 B10R0.55 CCC(=O)NCCSC(C)C 240690a_100000731138_100000210414 [0,1,0,0,0,1|1,0,0]=3 4114 B10R0.55 CCC(=O)NCCSC(C)C 527a_100000731138_100000210414 [0,1,0,0,0,1|1,0,0]=3 4115 B10R0.55 CCC(=O)NN=CCC(C)C 4a_100000183195_100000185833 [0,1,0,0,0,1|1,0,1]=4 4116 B10R0.55 CCC(=O)NNCCN(C)C 22a_100000738145_100000210414 [0,1,0,0,0,1|2,0,0]=4 4117 B10R0.55 CCC(=O)OCCOC(C)C 7a_200000031056_100000210206 [0,1,0,0,0,1|0,0,0]=2 4118 B10R0.55 CCC(C)CCCOC(C)C 7a_100011216074_100000210206 [0,1,0,0,0,1|1,0,1]=4 4119 B10R0.55 CCC(C)CCNCC(=O)N 2230a_100020591266_100000747473 [0,1,0,0,0,1|2,0,0]=4 4120 B10R0.55 CCC(C)CCOCC(=O)N 7a_100011215188_100000187820 [0,1,0,0,0,1|1,0,0]=3 4121 B10R0.55 CCC(C)CCOCC(C)C 7a_100011215188_100000210760 [0,1,0,0,0,1|1,0,1]=4 4122 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [0,1,0,0,0,1|0,0,2]=4 4123 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [0,1,0,0,0,1|0,0,2]=4 4124 B10R0.55 CCC(C)CNCC=C(C)C 2230a_100020588543_100000761012 [0,1,0,0,0,1|2,0,0]=4 4125 B10R0.55 CCC(C)CNCC=C(C)C 270004a_100000718196_100000243153 [0,1,0,0,0,1|2,0,0]=4 4126 B10R0.55 CCC(C)CNCC=C(C)C 34a_100000718196_100000748023 [0,1,0,0,0,1|2,0,0]=4 4127 B10R0.55 CCC(C)CNCCC(=O)N 2230a_100020588543_100000744528 [0,1,0,0,0,1|2,0,0]=4 4128 B10R0.55 CCC(C)CNCOC(C)C 2230a_100020588543_100000709892 [0,1,0,0,0,1|1,0,1]=4 4129 B10R0.55 CCC(C)CNOCC(=O)O 269956a_100000106656_100000748023 [0,1,0,0,0,1|2,0,0]=4 4130 B10R0.55 CCC(C)COCC=C(C)C 34a_100000753907_100000748023 [0,1,0,0,0,1|2,0,0]=4 4131 B10R0.55 CCC(C)COCCC(=O)C 34a_100000759926_100000748023 [0,1,0,0,0,1|1,0,0]=3 4132 B10R0.55 CCC(C)COCCC(=O)C 7a_100000759926_100000748023 [0,1,0,0,0,1|1,0,0]=3 4133 B10R0.55 CCC(C)COCCC(=O)N 34a_100000757172_100000748023 [0,1,0,0,0,1|2,0,0]=4 4134 B10R0.55 CCC(C)COCCC(=O)N 7a_100000757172_100000748023 [0,1,0,0,0,1|2,0,0]=4 4135 B10R0.55 CCC(C)COCCC(C)C 34a_100000210254_100000748023 [0,1,0,0,0,1|1,0,1]=4 4136 B10R0.55 CCC(C)COCCC(C)C 7a_100000210254_100000748023 [0,1,0,0,0,1|1,0,1]=4 4137 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000748023_100000761012 [0,1,0,0,0,1|2,0,0]=4 4138 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000761012_100000748023 [0,1,0,0,0,1|2,0,0]=4 4139 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000053229_100000748023 [0,1,0,0,0,1|1,0,0]=3 4140 B10R0.55 CCC(C)CSCCC(=O)C 62a_100000748023_100000053229 [0,1,0,0,0,1|1,0,0]=3 4141 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000744528_100000748023 [0,1,0,0,0,1|2,0,0]=4 4142 B10R0.55 CCC(C)CSCCC(=O)N 62a_100000748023_100000744528 [0,1,0,0,0,1|2,0,0]=4 4143 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000076356_100000748023 [0,1,0,0,0,1|0,0,0]=2 4144 B10R0.55 CCC(C)CSCOC(=O)C 62a_100000748023_100000076356 [0,1,0,0,0,1|0,0,0]=2 4145 B10R0.55 CCC(C)CSCOC(C)C 62a_100000709892_100000748023 [0,1,0,0,0,1|1,0,1]=4 4146 B10R0.55 CCC(C)CSCOC(C)C 62a_100000748023_100000709892 [0,1,0,0,0,1|1,0,1]=4 4147 B10R0.55 CCC(C)NCCC=C(C)C 2230a_100000209981_100011217483 [0,1,0,0,0,1|2,0,0]=4 4148 B10R0.55 CCC(C)NCCCC(=O)N 34a_100000739312_100011215416 [0,1,0,0,0,1|2,0,0]=4 4149 B10R0.55 CCC(C)NCCCS(=O)C 2230a_200000753449_100000758301 [0,1,0,0,0,1|2,0,0]=4 4150 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209853_100000758301 [0,1,0,0,0,1|1,0,0]=3 4151 B10R0.55 CCC(C)NCCNC(=O)C 2230a_100000209981_100000189650 [0,1,0,0,0,1|1,0,0]=3 4152 B10R0.55 CCC(C)NCCNC(=O)N 2230a_100000209981_200000034859 [0,1,0,0,0,1|2,0,0]=4 4153 B10R0.55 CCC(C)NCCNC(=O)N 34a_100020590234_100011215416 [0,1,0,0,0,1|2,0,0]=4 4154 B10R0.55 CCC(C)NCCOC(C)C 2230a_100000209981_100000211751 [0,1,0,0,0,1|1,0,1]=4 4155 B10R0.55 CCC(C)NCCOC(C)C 2230a_100000701111_100000758301 [0,1,0,0,0,1|1,0,1]=4 4156 B10R0.55 CCC(C)NCCOC(C)C 34a_100000701111_100011215416 [0,1,0,0,0,1|1,0,1]=4 4157 B10R0.55 CCC(C)OCCC=C(C)C 7a_100000210228_100011217483 [0,1,0,0,0,1|2,0,0]=4 4158 B10R0.55 CCC(C)OCCCC(=O)C 34a_100000759063_100011215416 [0,1,0,0,0,1|1,0,0]=3 4159 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000210228_100011215641 [0,1,0,0,0,1|1,0,0]=3 4160 B10R0.55 CCC(C)OCCCC(=O)C 7a_100000759063_100000758301 [0,1,0,0,0,1|1,0,0]=3 4161 B10R0.55 CCC(C)OCCCC(=O)N 7a_100000210228_100102525003 [0,1,0,0,0,1|2,0,0]=4 4162 B10R0.55 CCC(C)OCCCC(C)C 34a_100000210774_100011215416 [0,1,0,0,0,1|1,0,1]=4 4163 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210228_100011214892 [0,1,0,0,0,1|1,0,1]=4 4164 B10R0.55 CCC(C)OCCCC(C)C 7a_100000210774_100000758301 [0,1,0,0,0,1|1,0,1]=4 4165 B10R0.55 CCC(C)OCCNC(=O)C 34a_100000158858_100011215416 [0,1,0,0,0,1|1,0,0]=3 4166 B10R0.55 CCC(C)OCCNC(=O)C 7a_100000210228_100000189650 [0,1,0,0,0,1|1,0,0]=3 4167 B10R0.55 CCC(C)OCCNC(=O)N 34a_100000181757_100011215416 [0,1,0,0,0,1|2,0,0]=4 4168 B10R0.55 CCC(C)OCCNC(=O)N 7a_100000210228_200000034859 [0,1,0,0,0,1|2,0,0]=4 4169 B10R0.55 CCC(C)OCCNC(C)C 34a_100000224655_100011215416 [0,1,0,0,0,1|1,0,1]=4 4170 B10R0.55 CCC(C)OCCOC(=O)C 7a_100000210228_100009814007 [0,1,0,0,0,1|0,0,0]=2 4171 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000210228_200011214921 [0,1,0,0,0,1|1,0,0]=3 4172 B10R0.55 CCC(C)OCCOC(=O)N 7a_100000766696_100000758301 [0,1,0,0,0,1|1,0,0]=3 4173 B10R0.55 CCC(C)OCCOC(C)C 34a_100000211219_100011215416 [0,1,0,0,0,1|1,0,1]=4 4174 B10R0.55 CCC(C)OCCOC(C)C 7a_100000210228_100000211751 [0,1,0,0,0,1|1,0,1]=4 4175 B10R0.55 CCC(C)OCCOC(C)C 7a_100000211219_100000758301 [0,1,0,0,0,1|1,0,1]=4 4176 B10R0.55 CCC(C)OCCSC(C)C 34a_200011212901_100011215416 [0,1,0,0,0,1|1,0,1]=4 4177 B10R0.55 CCC(C)OCCSC(C)C 7a_100000210228_100000730970 [0,1,0,0,0,1|1,0,1]=4 4178 B10R0.55 CCC(C)OCCSC(C)C 7a_200011212901_100000758301 [0,1,0,0,0,1|1,0,1]=4 4179 B10R0.55 CCC(C)SCCC=C(C)C 62a_100000758301_100011217483 [0,1,0,0,0,1|2,0,0]=4 4180 B10R0.55 CCC(C)SCCC=C(C)C 62a_100011217483_100000758301 [0,1,0,0,0,1|2,0,0]=4 4181 B10R0.55 CCC(C)SCCCC(=O)C 62a_100000758301_100011215641 [0,1,0,0,0,1|1,0,0]=3 4182 B10R0.55 CCC(C)SCCCC(=O)C 62a_100011215641_100000758301 [0,1,0,0,0,1|1,0,0]=3 4183 B10R0.55 CCC(C)SCCCC(=O)N 62a_100000758301_100102525003 [0,1,0,0,0,1|2,0,0]=4 4184 B10R0.55 CCC(C)SCCCC(=O)N 62a_100102525003_100000758301 [0,1,0,0,0,1|2,0,0]=4 4185 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000189650_100000758301 [0,1,0,0,0,1|1,0,0]=3 4186 B10R0.55 CCC(C)SCCNC(=O)C 62a_100000758301_100000189650 [0,1,0,0,0,1|1,0,0]=3 4187 B10R0.55 CCC(C)SCCNC(=O)N 62a_100000758301_200000034859 [0,1,0,0,0,1|2,0,0]=4 4188 B10R0.55 CCC(C)SCCNC(=O)N 62a_200000034859_100000758301 [0,1,0,0,0,1|2,0,0]=4 4189 B10R0.55 CCC(C)SCCOC(=O)C 62a_100000758301_100009814007 [0,1,0,0,0,1|0,0,0]=2 4190 B10R0.55 CCC(C)SCCOC(=O)C 62a_100009814007_100000758301 [0,1,0,0,0,1|0,0,0]=2 4191 B10R0.55 CCC(C)SCCOC(=O)N 62a_100000758301_200011214921 [0,1,0,0,0,1|1,0,0]=3 4192 B10R0.55 CCC(C)SCCOC(=O)N 62a_200011214921_100000758301 [0,1,0,0,0,1|1,0,0]=3 4193 B10R0.55 CCC(C)SCCOC(C)C 62a_100000211751_100000758301 [0,1,0,0,0,1|1,0,1]=4 4194 B10R0.55 CCC(C)SCCOC(C)C 62a_100000758301_100000211751 [0,1,0,0,0,1|1,0,1]=4 4195 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,1,0,0,0,1|2,0,0]=4 4196 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,1,0,0,0,1|2,0,0]=4 4197 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [0,1,0,0,0,1|0,0,2]=4 4198 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [0,1,0,0,0,1|0,0,2]=4 4199 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,1,0,0,0,1|2,0,0]=4 4200 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,1,0,0,0,1|2,0,0]=4 4201 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [0,1,0,0,0,1|1,0,0]=3 4202 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [0,1,0,0,0,1|1,0,0]=3 4203 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,1,0,0,0,1|2,0,0]=4 4204 B10R0.55 CCN(C)CCCOC(=O)C 269982a_100000225621_100000042594 [0,1,0,0,0,1|1,0,0]=3 4205 B10R0.55 CCN(C)CCCOC(=S)C 2230a_100000225621_200135323944 [0,1,0,0,0,1|1,1,0]=4 4206 B10R0.55 CCN(C)CCCOC(=S)C 269982a_100000225621_200135323944 [0,1,0,0,0,1|1,1,0]=4 4207 B10R0.55 CCN(C)CCCSC(=O)C 2230a_100000225621_100000038929 [0,1,0,0,0,1|1,1,0]=4 4208 B10R0.55 CCN(C)CCCSC(=O)C 269982a_100000225621_100000038929 [0,1,0,0,0,1|1,1,0]=4 4209 B10R0.55 CCN(C)CCOCC(=O)N 2230a_100000225621_100000076697 [0,1,0,0,0,1|2,0,0]=4 4210 B10R0.55 CCN(C)CCOCC(=O)N 269982a_100000225621_100000076697 [0,1,0,0,0,1|2,0,0]=4 4211 B10R0.55 CC[C@H](C)CNCC=C(C)C 34a_100000718196_100009816398 [0,1,0,0,0,1|2,0,0]=4 4212 B10R0.55 CC[C@H](C)CNOCC(=O)O 269956a_100000106656_100009816398 [0,1,0,0,0,1|2,0,0]=4 4213 B10R0.55 CC[C@H](C)COCC=C(C)C 34a_100000753907_100009816398 [0,1,0,0,0,1|2,0,0]=4 4214 B10R0.55 CC[C@H](C)COCC=C(C)C 7a_100009816381_100000761012 [0,1,0,0,0,1|2,0,0]=4 4215 B10R0.55 CC[C@H](C)COCCC(=O)C 34a_100000759926_100009816398 [0,1,0,0,0,1|1,0,0]=3 4216 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100000759926_100009816398 [0,1,0,0,0,1|1,0,0]=3 4217 B10R0.55 CC[C@H](C)COCCC(=O)C 7a_100009816381_100000053229 [0,1,0,0,0,1|1,0,0]=3 4218 B10R0.55 CC[C@H](C)COCCC(=O)N 34a_100000757172_100009816398 [0,1,0,0,0,1|2,0,0]=4 4219 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100000757172_100009816398 [0,1,0,0,0,1|2,0,0]=4 4220 B10R0.55 CC[C@H](C)COCCC(=O)N 7a_100009816381_100000744528 [0,1,0,0,0,1|2,0,0]=4 4221 B10R0.55 CC[C@H](C)COCCC(C)C 34a_100000210254_100009816398 [0,1,0,0,0,1|1,0,1]=4 4222 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100000210254_100009816398 [0,1,0,0,0,1|1,0,1]=4 4223 B10R0.55 CC[C@H](C)COCCC(C)C 7a_100009816381_100000210626 [0,1,0,0,0,1|1,0,1]=4 4224 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100000761012_100009816398 [0,1,0,0,0,1|2,0,0]=4 4225 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100009816398_100000761012 [0,1,0,0,0,1|2,0,0]=4 4226 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100000053229_100009816398 [0,1,0,0,0,1|1,0,0]=3 4227 B10R0.55 CC[C@H](C)CSCCC(=O)C 62a_100009816398_100000053229 [0,1,0,0,0,1|1,0,0]=3 4228 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100000744528_100009816398 [0,1,0,0,0,1|2,0,0]=4 4229 B10R0.55 CC[C@H](C)CSCCC(=O)N 62a_100009816398_100000744528 [0,1,0,0,0,1|2,0,0]=4 4230 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100000076356_100009816398 [0,1,0,0,0,1|0,0,0]=2 4231 B10R0.55 CC[C@H](C)CSCOC(=O)C 62a_100009816398_100000076356 [0,1,0,0,0,1|0,0,0]=2 4232 B10R0.55 CC[C@H](C)CSCOC(C)C 62a_100000709892_100009816398 [0,1,0,0,0,1|1,0,1]=4 4233 B10R0.55 CC[C@H](C)CSCOC(C)C 62a_100009816398_100000709892 [0,1,0,0,0,1|1,0,1]=4 4234 B10R0.55 CN(C)CCCNC(=O)CO 240690a_102531767803_100000210174 [0,1,0,0,0,1|2,0,0]=4 4235 B10R0.55 CN(C)CCCNC(=O)CO 527a_102531767803_100000210174 [0,1,0,0,0,1|2,0,0]=4 4236 B10R0.55 CN(C)CCNNC(=O)CO 22a_100000738145_100000210174 [0,1,0,0,0,1|2,0,0]=4 4237 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [0,1,0,0,0,1|1,0,0]=3 4238 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [0,1,0,0,0,1|1,0,0]=3 4239 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [0,1,0,0,0,1|1,0,0]=3 4240 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [0,1,0,0,0,1|1,0,0]=3 4241 B10R0.55 CNC(=O)CCCCN(C)C 11a_106832991635_100000751710 [0,1,0,0,0,1|2,0,0]=4 4242 B10R0.55 CNC(=O)CCCCN(C)C 240690a_100102657272_100000751710 [0,1,0,0,0,1|2,0,0]=4 4243 B10R0.55 CNC(=O)CCCCN(C)C 527a_100102657272_100000751710 [0,1,0,0,0,1|2,0,0]=4 4244 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100000740002_100000210206 [0,1,0,0,0,1|1,0,0]=3 4245 B10R0.55 CNC(=O)CCCNC(C)C 2230a_100138425928_100000741757 [0,1,0,0,0,1|1,0,0]=3 4246 B10R0.55 CNC(=O)CCCNC(C)C 34a_100000740002_100000210206 [0,1,0,0,0,1|1,0,0]=3 4247 B10R0.55 CNC(=O)CCCNC(C)C 34a_100138425928_100000741757 [0,1,0,0,0,1|1,0,0]=3 4248 B10R0.55 CNC(=O)CCCOC(C)C 34a_100000212225_100000741757 [0,1,0,0,0,1|1,0,0]=3 4249 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000210206_100000741757 [0,1,0,0,0,1|1,0,0]=3 4250 B10R0.55 CNC(=O)CCCSC(C)C 62a_100000741757_100000210206 [0,1,0,0,0,1|1,0,0]=3 4251 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000210953_100000737683 [0,1,0,0,0,1|1,0,0]=3 4252 B10R0.55 CNC(=O)CCNCC(C)C 2230a_100000738227_100000210760 [0,1,0,0,0,1|1,0,0]=3 4253 B10R0.55 CNC(=O)CCNCC(C)C 270004a_100000738227_100000210432 [0,1,0,0,0,1|1,0,0]=3 4254 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000210953_100012179268 [0,1,0,0,0,1|1,0,0]=3 4255 B10R0.55 CNC(=O)CCNCC(C)C 34a_100000738227_100000210624 [0,1,0,0,0,1|1,0,0]=3 4256 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000210904_100000737683 [0,1,0,0,0,1|2,0,0]=4 4257 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000738227_100011218427 [0,1,0,0,0,1|2,0,0]=4 4258 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000210904_100012179268 [0,1,0,0,0,1|2,0,0]=4 4259 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000738227_100011218427 [0,1,0,0,0,1|2,0,0]=4 4260 B10R0.55 CNC(=O)CCNC[C@@H](C)O 2230a_100000738227_100009817552 [0,1,0,0,0,1|2,0,0]=4 4261 B10R0.55 CNC(=O)CCNC[C@@H](C)O 34a_100000738227_100009817552 [0,1,0,0,0,1|2,0,0]=4 4262 B10R0.55 CNC(=O)CCOCC(=O)C 34a_100000211253_100012179268 [0,1,0,0,0,1|1,0,1]=4 4263 B10R0.55 CNC(=O)CCOCC(C)Br 34a_100012180447_100012179268 [0,1,0,0,0,1|2,0,0]=4 4264 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000210257_100012179268 [0,1,0,0,0,1|1,0,0]=3 4265 B10R0.55 CNC(=O)CCOCC(C)C 34a_100000754576_100000210624 [0,1,0,0,0,1|1,0,0]=3 4266 B10R0.55 CNC(=O)CCOCC(C)F 34a_100015925927_100012179268 [0,1,0,0,0,1|2,0,0]=4 4267 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [0,1,0,0,0,1|2,0,0]=4 4268 B10R0.55 CNC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100012179268 [0,1,0,0,0,1|2,0,0]=4 4269 B10R0.55 CNC(=O)CCOC[C@@H](C)N 34a_100000737577_100012179268 [0,1,0,0,0,1|2,0,0]=4 4270 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [0,1,0,0,0,1|2,0,0]=4 4271 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000210624_100000737683 [0,1,0,0,0,1|1,0,0]=3 4272 B10R0.55 CNC(=O)CCSCC(C)C 62a_100000737683_100000210760 [0,1,0,0,0,1|1,0,0]=3 4273 B10R0.55 CNC(=O)CCSCC(C)O 62a_100000737683_100011218427 [0,1,0,0,0,1|2,0,0]=4 4274 B10R0.55 CNC(=O)CCSCC(C)O 62a_100011218427_100000737683 [0,1,0,0,0,1|2,0,0]=4 4275 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100000737683_100009817552 [0,1,0,0,0,1|2,0,0]=4 4276 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737683 [0,1,0,0,0,1|2,0,0]=4 4277 B10R0.55 CNC(=O)CNCCC(C)C 2230a_100000693194_100000210312 [0,1,0,0,0,1|1,0,0]=3 4278 B10R0.55 CNC(=O)CNCCC(C)C 269862a_100000693194_100000185833 [0,1,0,0,0,1|1,0,0]=3 4279 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [0,1,0,0,0,1|2,0,0]=4 4280 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [0,1,0,0,0,1|2,0,0]=4 4281 B10R0.55 CNC(=O)CNCOC(C)C 2230a_100000693194_100000709892 [0,1,0,0,0,1|2,0,0]=4 4282 B10R0.55 CNC(=O)COCC=C(C)C 34a_100000750040_100000761012 [0,1,0,0,0,1|0,0,2]=4 4283 B10R0.55 CNC(=O)COCC=C(C)C 34a_100000753907_100000183359 [0,1,0,0,0,1|0,0,2]=4 4284 B10R0.55 CNC(=O)COCCC(=O)C 34a_100000759926_100000183359 [0,1,0,0,0,1|1,0,1]=4 4285 B10R0.55 CNC(=O)COCCC(=O)C 7a_100000759926_100000183359 [0,1,0,0,0,1|1,0,1]=4 4286 B10R0.55 CNC(=O)COCCC(C)Br 34a_100009893172_100000183359 [0,1,0,0,0,1|1,0,0]=3 4287 B10R0.55 CNC(=O)COCCC(C)C 34a_100000210254_100000183359 [0,1,0,0,0,1|0,0,0]=2 4288 B10R0.55 CNC(=O)COCCC(C)C 34a_100000750040_100000210312 [0,1,0,0,0,1|0,0,0]=2 4289 B10R0.55 CNC(=O)COCCC(C)C 7a_100000210254_100000183359 [0,1,0,0,0,1|0,0,0]=2 4290 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [0,1,0,0,0,1|1,0,0]=3 4291 B10R0.55 CNC(=O)COCCC(F)F 34a_100103093639_100000183359 [0,1,0,0,0,1|2,0,0]=4 4292 B10R0.55 CNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183359 [0,1,0,0,0,1|1,0,0]=3 4293 B10R0.55 CNC(=O)COCOC(=O)C 34a_100000750040_100009813279 [0,1,0,0,0,1|1,0,1]=4 4294 B10R0.55 CNC(=O)COCOC(C)C 34a_100000750040_100000709892 [0,1,0,0,0,1|1,0,0]=3 4295 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000183359_100000210312 [0,1,0,0,0,1|0,1,0]=3 4296 B10R0.55 CNC(=O)CSCCC(C)C 62a_100000210312_100000183359 [0,1,0,0,0,1|0,1,0]=3 4297 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [0,1,0,0,0,1|1,1,0]=4 4298 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [0,1,0,0,0,1|1,1,0]=4 4299 B10R0.55 CNC(=O)CSCCN(C)C 62a_100000183359_100000755713 [0,1,0,0,0,1|1,1,0]=4 4300 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000076356_100000183359 [0,1,0,0,0,1|1,0,1]=4 4301 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000183359_100000076356 [0,1,0,0,0,1|1,0,1]=4 4302 B10R0.55 CNC(=O)CSCOC(C)C 62a_100000183359_100000709892 [0,1,0,0,0,1|1,1,0]=4 4303 B10R0.55 CNC(=O)CSCOC(C)C 62a_100000709892_100000183359 [0,1,0,0,0,1|1,1,0]=4 4304 B10R0.55 CNC(=O)NCCCC(C)C 2708a_100102657272_200000737386 [0,1,0,0,0,1|1,0,0]=3 4305 B10R0.55 CNC(=O)NCCCC(C)C 2708a_200000737386_106832991635 [0,1,0,0,0,1|1,0,0]=3 4306 B10R0.55 CNC(=O)NCCCC(C)C 273464a_100102657272_200000737386 [0,1,0,0,0,1|1,0,0]=3 4307 B10R0.55 CNC(=O)NCCCC(C)C 273464a_200000737386_100102657272 [0,1,0,0,0,1|1,0,0]=3 4308 B10R0.55 CNC(=O)NCCCC(C)C 512a_106832991638_200000737386 [0,1,0,0,0,1|1,0,0]=3 4309 B10R0.55 CNC(=O)NCCCC(C)C 512a_200000737386_100102657272 [0,1,0,0,0,1|1,0,0]=3 4310 B10R0.55 CNC(=O)NCCCN(C)C 2708a_100102657272_102531767803 [0,1,0,0,0,1|2,0,0]=4 4311 B10R0.55 CNC(=O)NCCCN(C)C 273464a_100102657272_102531767803 [0,1,0,0,0,1|2,0,0]=4 4312 B10R0.55 CNC(=O)NCCCN(C)C 273464a_102531767803_100102657272 [0,1,0,0,0,1|2,0,0]=4 4313 B10R0.55 CNC(=O)NCCCN(C)C 512a_102531767803_100102657272 [0,1,0,0,0,1|2,0,0]=4 4314 B10R0.55 CNC(=O)NCCCN(C)C 512a_106832991638_102531767803 [0,1,0,0,0,1|2,0,0]=4 4315 B10R0.55 CNC(=O)NCCNC(C)C 34a_100015205895_100000210206 [0,1,0,0,0,1|1,0,0]=3 4316 B10R0.55 CNC(=O)NCCOC(=O)C 2708a_100102657272_100000724843 [0,1,0,0,0,1|1,0,1]=4 4317 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100000724843_100102657272 [0,1,0,0,0,1|1,0,1]=4 4318 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100102657272_100000724843 [0,1,0,0,0,1|1,0,1]=4 4319 B10R0.55 CNC(=O)NCCOC(=O)C 512a_100000724843_100102657272 [0,1,0,0,0,1|1,0,1]=4 4320 B10R0.55 CNC(=O)NCCOC(=O)C 512a_106832991638_100000724843 [0,1,0,0,0,1|1,0,1]=4 4321 B10R0.55 CNC(=O)NCCOC(C)C 2708a_100000701111_106832991635 [0,1,0,0,0,1|1,0,0]=3 4322 B10R0.55 CNC(=O)NCCOC(C)C 2708a_100102657272_100000701111 [0,1,0,0,0,1|1,0,0]=3 4323 B10R0.55 CNC(=O)NCCOC(C)C 273464a_100000701111_100102657272 [0,1,0,0,0,1|1,0,0]=3 4324 B10R0.55 CNC(=O)NCCOC(C)C 273464a_100102657272_100000701111 [0,1,0,0,0,1|1,0,0]=3 4325 B10R0.55 CNC(=O)NCCOC(C)C 512a_100000701111_100102657272 [0,1,0,0,0,1|1,0,0]=3 4326 B10R0.55 CNC(=O)NCCOC(C)C 512a_106832991638_100000701111 [0,1,0,0,0,1|1,0,0]=3 4327 B10R0.55 CNC(=O)NCCSC(C)C 2708a_100000731138_106832991635 [0,1,0,0,0,1|1,0,0]=3 4328 B10R0.55 CNC(=O)NCCSC(C)C 2708a_100102657272_100000731138 [0,1,0,0,0,1|1,0,0]=3 4329 B10R0.55 CNC(=O)NCCSC(C)C 273464a_100000731138_100102657272 [0,1,0,0,0,1|1,0,0]=3 4330 B10R0.55 CNC(=O)NCCSC(C)C 273464a_100102657272_100000731138 [0,1,0,0,0,1|1,0,0]=3 4331 B10R0.55 CNC(=O)NCCSC(C)C 512a_100000731138_100102657272 [0,1,0,0,0,1|1,0,0]=3 4332 B10R0.55 CNC(=O)NCCSC(C)C 512a_106832991638_100000731138 [0,1,0,0,0,1|1,0,0]=3 4333 B10R0.55 CNC(=O)NNCCN(C)C 273464a_100102657272_100000738145 [0,1,0,0,0,1|2,0,0]=4 4334 B10R0.55 CNC(=O)NNCCN(C)C 512a_106832991638_100000738145 [0,1,0,0,0,1|2,0,0]=4 4335 B10R0.55 CNC(=O)OCCNC(C)C 34a_100138425928_200011997002 [0,1,0,0,0,1|0,0,0]=2 4336 B10R0.55 CNC(=O)OCCOC(C)C 34a_100000212225_200011997002 [0,1,0,0,0,1|0,0,0]=2 4337 B10R0.55 CNC(=O)OCCSC(C)C 62a_100000210206_200011997002 [0,1,0,0,0,1|0,0,0]=2 4338 B10R0.55 CNC(=O)OCCSC(C)C 62a_200011997002_100000210206 [0,1,0,0,0,1|0,0,0]=2 4339 B10R0.55 CNC(C)CCOCC(C)C 270004a_106832991635_200011216429 [0,1,0,0,0,1|1,0,1]=4 4340 B10R0.55 COC(=O)/C=C/CNC(C)C 2230a_100138425928_100000742655 [0,1,0,0,0,1|1,0,1]=4 4341 B10R0.55 COC(=O)/C=C/CNC(C)C 34a_100138425928_100000742655 [0,1,0,0,0,1|1,0,1]=4 4342 B10R0.55 COC(=O)/C=C/COC(C)C 34a_100000212225_100000742655 [0,1,0,0,0,1|1,0,1]=4 4343 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000210206_100000742655 [0,1,0,0,0,1|1,0,1]=4 4344 B10R0.55 COC(=O)/C=C/CSC(C)C 62a_100000742655_100000210206 [0,1,0,0,0,1|1,0,1]=4 4345 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,1,0,0,0,1|2,0,0]=4 4346 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,1,0,0,0,1|2,0,0]=4 4347 B10R0.55 COC(=O)CCCNC(C)C 2230a_100138425928_100011218270 [0,1,0,0,0,1|1,0,0]=3 4348 B10R0.55 COC(=O)CCCNC(C)C 34a_100138425928_100000742333 [0,1,0,0,0,1|1,0,0]=3 4349 B10R0.55 COC(=O)CCCOC(C)C 34a_100000212225_100000742333 [0,1,0,0,0,1|1,0,0]=3 4350 B10R0.55 COC(=O)CCCSC(C)C 62a_100000210206_100011218270 [0,1,0,0,0,1|1,0,0]=3 4351 B10R0.55 COC(=O)CCCSC(C)C 62a_100011218270_100000210206 [0,1,0,0,0,1|1,0,0]=3 4352 B10R0.55 COC(=O)CCNCC(C)C 2230a_100000210953_100000204255 [0,1,0,0,0,1|1,0,0]=3 4353 B10R0.55 COC(=O)CCNCC(C)C 34a_100000210953_100000742370 [0,1,0,0,0,1|1,0,0]=3 4354 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,1,0,0,0,1|2,0,0]=4 4355 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,1,0,0,0,1|2,0,0]=4 4356 B10R0.55 COC(=O)CCOCC(=O)C 34a_100000211253_100000742370 [0,1,0,0,0,1|1,0,1]=4 4357 B10R0.55 COC(=O)CCOCC(C)Br 34a_100012180447_100000742370 [0,1,0,0,0,1|2,0,0]=4 4358 B10R0.55 COC(=O)CCOCC(C)C 34a_100000210257_100000742370 [0,1,0,0,0,1|1,0,0]=3 4359 B10R0.55 COC(=O)CCOCC(C)F 34a_100015925927_100000742370 [0,1,0,0,0,1|2,0,0]=4 4360 B10R0.55 COC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000742370 [0,1,0,0,0,1|2,0,0]=4 4361 B10R0.55 COC(=O)CCOC[C@@H](C)N 34a_100000737577_100000742370 [0,1,0,0,0,1|2,0,0]=4 4362 B10R0.55 COC(=O)CCSCC(C)C 62a_100000204255_100000210760 [0,1,0,0,0,1|1,0,0]=3 4363 B10R0.55 COC(=O)CCSCC(C)C 62a_100000210624_100000204255 [0,1,0,0,0,1|1,0,0]=3 4364 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,1,0,0,0,1|2,0,0]=4 4365 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,1,0,0,0,1|2,0,0]=4 4366 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,1,0,0,0,1|2,0,0]=4 4367 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,1,0,0,0,1|2,0,0]=4 4368 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,1,0,0,0,1|2,0,0]=4 4369 B10R0.55 COC(=O)COCC=C(C)C 34a_100000753907_100000747449 [0,1,0,0,0,1|0,0,2]=4 4370 B10R0.55 COC(=O)COCCC(=O)C 1458a_100000070787_100000090808 [0,1,0,0,0,1|1,0,1]=4 4371 B10R0.55 COC(=O)COCCC(=O)C 34a_100000759926_100000747449 [0,1,0,0,0,1|1,0,1]=4 4372 B10R0.55 COC(=O)COCCC(=O)C 7a_100000759926_100000747449 [0,1,0,0,0,1|1,0,1]=4 4373 B10R0.55 COC(=O)COCCC(C)Br 34a_100009893172_100000747449 [0,1,0,0,0,1|1,0,0]=3 4374 B10R0.55 COC(=O)COCCC(C)C 34a_100000210254_100000747449 [0,1,0,0,0,1|0,0,0]=2 4375 B10R0.55 COC(=O)COCCC(C)C 7a_100000210254_100000747449 [0,1,0,0,0,1|0,0,0]=2 4376 B10R0.55 COC(=O)COCCC(F)F 34a_100103093639_100000747449 [0,1,0,0,0,1|2,0,0]=4 4377 B10R0.55 COC(=O)COCCN(C)C 2230a_100102631434_100000090808 [0,1,0,0,0,1|1,0,0]=3 4378 B10R0.55 COC(=O)COCC[C@@H](C)N 34a_100000706166_100000747449 [0,1,0,0,0,1|1,0,0]=3 4379 B10R0.55 COC(=O)CSCCC(C)C 62a_100000210312_100000747449 [0,1,0,0,0,1|0,1,0]=3 4380 B10R0.55 COC(=O)CSCCC(C)C 62a_100000747449_100000210312 [0,1,0,0,0,1|0,1,0]=3 4381 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,1,0,0,0,1|1,1,0]=4 4382 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,1,0,0,0,1|1,1,0]=4 4383 B10R0.55 COC(=O)CSCCN(C)C 62a_100000747449_100000755713 [0,1,0,0,0,1|1,1,0]=4 4384 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000076356_100000747449 [0,1,0,0,0,1|1,0,1]=4 4385 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000747449_100000076356 [0,1,0,0,0,1|1,0,1]=4 4386 B10R0.55 COC(=O)CSCOC(C)C 62a_100000709892_100000747449 [0,1,0,0,0,1|1,1,0]=4 4387 B10R0.55 COC(=O)CSCOC(C)C 62a_100000747449_100000709892 [0,1,0,0,0,1|1,1,0]=4 4388 B10R0.55 COC(=O)NCCOC(C)C 34a_100000757965_100000210206 [0,1,0,0,0,1|1,0,0]=3 4389 B10R0.55 COC(=O)OCCOC(C)C 34a_100010262106_100000210206 [0,1,0,0,0,1|0,0,0]=2 4390 B10R0.55 COC(=O)OCSCC(C)C 62a_100000210624_100000139417 [0,1,0,0,0,1|0,0,0]=2 4391 B10R0.55 COC(=O)OCSCC(C)O 62a_100011218427_100000139417 [0,1,0,0,0,1|1,0,0]=3 4392 B10R0.55 COC(=O)OCSCC(F)F 62a_100011934356_100000139417 [0,1,0,0,0,1|2,0,0]=4 4393 B10R0.55 COC(=O)OCSC[C@@H](C)O 62a_100009817552_100000139417 [0,1,0,0,0,1|1,0,0]=3 4394 B10R0.55 COC(C)CCOCC(=O)N 7a_100000764861_100000187820 [0,1,0,0,0,1|1,0,0]=3 4395 B10R0.55 COC(C)CCOCC(C)C 7a_100000764861_100000210760 [0,1,0,0,0,1|1,0,1]=4 4396 B10R0.55 COC(C)CCOCC(C)O 7a_100000764861_100011218427 [0,1,0,0,0,1|0,0,2]=4 4397 B10R0.55 COC(C)CCOC[C@@H](C)O 7a_100000764861_100009817552 [0,1,0,0,0,1|0,0,2]=4 4398 B10R0.55 COC(C)COCC=C(C)C 34a_100000690652_100000761012 [0,1,0,0,0,1|2,0,0]=4 4399 B10R0.55 COC(C)COCCC(=O)N 34a_100000690652_100000731001 [0,1,0,0,0,1|2,0,0]=4 4400 B10R0.55 COC(C)COCCC(C)C 34a_100000690652_100000210312 [0,1,0,0,0,1|0,0,2]=4 4401 B10R0.55 COC(C)COCOC(=O)C 34a_100000690652_100009813279 [0,1,0,0,0,1|0,0,0]=2 4402 B10R0.55 COC(C)COCOC(C)C 34a_100000690652_100000709892 [0,1,0,0,0,1|1,0,1]=4 4403 B10R0.55 COC(C)SCCC=C(C)C 62a_100009879195_100011217483 [0,1,0,0,0,1|2,0,0]=4 4404 B10R0.55 COC(C)SCCC=C(C)C 62a_100011217483_100009879195 [0,1,0,0,0,1|2,0,0]=4 4405 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [0,1,0,0,0,1|1,0,0]=3 4406 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [0,1,0,0,0,1|1,0,0]=3 4407 B10R0.55 COC(C)SCCCC(=O)N 62a_100009879195_100102525003 [0,1,0,0,0,1|2,0,0]=4 4408 B10R0.55 COC(C)SCCCC(=O)N 62a_100102525003_100009879195 [0,1,0,0,0,1|2,0,0]=4 4409 B10R0.55 COC(C)SCCNC(=O)C 62a_100000189650_100009879195 [0,1,0,0,0,1|1,0,0]=3 4410 B10R0.55 COC(C)SCCNC(=O)C 62a_100009879195_100000189650 [0,1,0,0,0,1|1,0,0]=3 4411 B10R0.55 COC(C)SCCNC(=O)N 62a_100009879195_200000034859 [0,1,0,0,0,1|2,0,0]=4 4412 B10R0.55 COC(C)SCCNC(=O)N 62a_200000034859_100009879195 [0,1,0,0,0,1|2,0,0]=4 4413 B10R0.55 COC(C)SCCOC(=O)C 62a_100009814007_100009879195 [0,1,0,0,0,1|0,0,0]=2 4414 B10R0.55 COC(C)SCCOC(=O)C 62a_100009879195_100009814007 [0,1,0,0,0,1|0,0,0]=2 4415 B10R0.55 COC(C)SCCOC(=O)N 62a_100009879195_200011214921 [0,1,0,0,0,1|1,0,0]=3 4416 B10R0.55 COC(C)SCCOC(=O)N 62a_200011214921_100009879195 [0,1,0,0,0,1|1,0,0]=3 4417 B10R0.55 COC(C)SCCOC(C)C 62a_100000211751_100009879195 [0,1,0,0,0,1|1,0,1]=4 4418 B10R0.55 COC(C)SCCOC(C)C 62a_100009879195_100000211751 [0,1,0,0,0,1|1,0,1]=4 4419 B10R0.55 CO[C@H](C)CNCC=C(C)C 2230a_100020591295_100000761012 [0,1,0,0,0,1|2,0,0]=4 4420 B10R0.55 CO[C@H](C)CNCCC(=O)N 2230a_100020591295_100000744528 [0,1,0,0,0,1|2,0,0]=4 4421 B10R0.55 CO[C@H](C)CNCOC(C)C 2230a_100020591295_100000709892 [0,1,0,0,0,1|1,0,1]=4 4422 B10R0.55 CSC(C)CC=NNC(=O)C 4a_100000189765_100000036020 [0,1,0,0,0,1|1,0,1]=4 4423 B10R0.55 C[C@@H](CO)CNOCC(=O)O 269956a_100000106656_100000059175 [0,1,0,0,0,1|2,0,0]=4 4424 B10R0.55 C[C@@H](CO)COCCC(=O)N 34a_100000757172_100000059175 [0,1,0,0,0,1|2,0,0]=4 4425 B10R0.55 C[C@@H](CO)COCCC(=O)N 7a_100000757172_100000059175 [0,1,0,0,0,1|2,0,0]=4 4426 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000059175_100000744528 [0,1,0,0,0,1|2,0,0]=4 4427 B10R0.55 C[C@@H](CO)CSCCC(=O)N 62a_100000744528_100000059175 [0,1,0,0,0,1|2,0,0]=4 4428 B10R0.55 C[C@H](CO)NCCNC(=O)N 2230a_100000737577_200000034859 [0,1,0,0,0,1|2,0,0]=4 4429 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100016084084_100102525003 [0,1,0,0,0,1|2,0,0]=4 4430 B10R0.55 C[C@H](CO)SCCCC(=O)N 62a_100102525003_100016084084 [0,1,0,0,0,1|2,0,0]=4 4431 B10R0.55 C[C@H](CO)SCCNC(=O)N 62a_100016084084_200000034859 [0,1,0,0,0,1|2,0,0]=4 4432 B10R0.55 C[C@H](CO)SCCNC(=O)N 62a_200000034859_100016084084 [0,1,0,0,0,1|2,0,0]=4 4433 B10R0.55 C[C@H](CO)SCCOC(=O)N 62a_100016084084_200011214921 [0,1,0,0,0,1|1,0,0]=3 4434 B10R0.55 C[C@H](CO)SCCOC(=O)N 62a_200011214921_100016084084 [0,1,0,0,0,1|1,0,0]=3 4435 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [0,1,0,0,0,1|2,0,0]=4 4436 B10R0.96 C=C(C)CC(=O)COC(=O)C 1458a_100000183556_100000748629 [0,1,0,0,0,1|0,0,2]=4 4437 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_100000210554_100000730704 [0,1,0,0,0,1|2,0,0]=4 4438 B10R0.96 C=C(C)CCC(=O)CC(C)C 1458a_200000688413_100000210624 [0,1,0,0,0,1|2,0,0]=4 4439 B10R0.96 C=C(C)CCN(C)CC(C)C 2230a_100000747067_100000730704 [0,1,0,0,0,1|2,0,0]=4 4440 B10R0.96 C=C(C)CCN(C)CC(C)C 269982a_100000747067_100000730704 [0,1,0,0,0,1|2,0,0]=4 4441 B10R0.96 C=C(C)CN(C)CCC(C)C 2230a_100000225649_100000210312 [0,1,0,0,0,1|2,0,0]=4 4442 B10R0.96 C=C(C)CN(C)CCC(C)C 2230a_100000742789_100000748629 [0,1,0,0,0,1|2,0,0]=4 4443 B10R0.96 C=C(C)CN(C)CCC(C)C 269982a_100000225649_100000210312 [0,1,0,0,0,1|2,0,0]=4 4444 B10R0.96 C=C(C)CN(C)CCC(C)C 269982a_100000742789_100000748629 [0,1,0,0,0,1|2,0,0]=4 4445 B10R0.96 C=C(C)CN(C)COC(=O)C 269982a_100000225649_100000076356 [0,1,0,0,0,1|0,0,2]=4 4446 B10R0.96 C=C(C)CNC(C)CC(C)C 2230a_100000692259_100000748629 [0,1,0,0,0,1|2,0,0]=4 4447 B10R0.96 C=C(C)COC(C)CC(C)C 34a_100000210245_100000731052 [0,1,0,0,0,1|1,0,0]=3 4448 B10R0.96 C=C(C)COC(C)CC(C)C 34a_100000211805_100000748629 [0,1,0,0,0,1|1,0,0]=3 4449 B10R0.96 C=C(C)COC(C)CC(C)C 7a_100000211805_100000748629 [0,1,0,0,0,1|1,0,0]=3 4450 B10R0.96 C=C(C)CSC(C)CC(C)C 62a_100000731052_100000211660 [0,1,0,0,0,1|1,1,0]=4 4451 B10R0.96 C=C(C)CSC(C)CC(C)C 62a_100000748629_100000731052 [0,1,0,0,0,1|1,1,0]=4 4452 B10R0.96 C=C(C)CSC(C)OC(=O)C 62a_100000748629_100009818208 [0,1,0,0,0,1|0,0,2]=4 4453 B10R0.96 C=C(C)CSC(C)OC(=O)C 62a_100009818208_100000211660 [0,1,0,0,0,1|0,0,2]=4 4454 B10R0.96 C=C(F)COC(C)CC(C)C 34a_100000211805_100009893438 [0,1,0,0,0,1|1,0,1]=4 4455 B10R0.96 C=C(F)COC(C)CC(C)C 34a_200010262243_100000731052 [0,1,0,0,0,1|1,0,1]=4 4456 B10R0.96 C=C(F)COC(C)CC(C)C 7a_100000211805_100000042424 [0,1,0,0,0,1|1,0,1]=4 4457 B10R0.96 CC(=CC(=O)CCC(C)C)C 1458a_100000211388_100000210312 [0,1,0,0,0,1|2,0,0]=4 4458 B10R0.96 CC(=CC(=O)CCC(C)C)Cl 1458a_200042562850_100000210312 [0,1,0,0,0,1|2,0,0]=4 4459 B10R0.96 CC(=CC(=O)CCC(C)C)I 1458a_100025716642_100000210312 [0,1,0,0,0,1|2,0,0]=4 4460 B10R0.96 CC(=CC(C)OCC(C)C)C 34a_100000717055_100000210624 [0,1,0,0,0,1|2,0,0]=4 4461 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100000210554_100000761012 [0,1,0,0,0,1|2,0,0]=4 4462 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100011220947_100000210624 [0,1,0,0,0,1|2,0,0]=4 4463 B10R0.96 CC(=CCN(C)CC(C)C)C 2230a_100000747067_100000761012 [0,1,0,0,0,1|2,0,0]=4 4464 B10R0.96 CC(=CCN(C)CC(C)C)C 269982a_100000747067_100000761012 [0,1,0,0,0,1|2,0,0]=4 4465 B10R0.96 CC(=O)CC(=O)NCC(C)C 1458a_100000070787_100000183291 [0,1,0,0,0,1|1,0,1]=4 4466 B10R0.96 CC(=O)CCC(=O)NC(C)C 1458a_100000070787_100000737564 [0,1,0,0,0,1|1,0,1]=4 4467 B10R0.96 CC(=O)CCC(=O)OC(C)C 1458a_100000070787_100000760027 [0,1,0,0,0,1|1,0,1]=4 4468 B10R0.96 CC(=O)CCN(C)CC(C)C 269982a_100000747067_100000053229 [0,1,0,0,0,1|1,0,0]=3 4469 B10R0.96 CC(=O)CCN(C)CC(C)O 269982a_100000227577_100000053229 [0,1,0,0,0,1|2,0,0]=4 4470 B10R0.96 CC(=O)CNC(=O)CC(C)C 1458a_100000194594_200000210301 [0,1,0,0,0,1|1,0,1]=4 4471 B10R0.96 CC(=O)COC(=O)OC(C)C 1458a_100000070787_100000003507 [0,1,0,0,0,1|1,0,1]=4 4472 B10R0.96 CC(=O)COC(C)CC(C)C 34a_100000211253_100000731052 [0,1,0,0,0,1|0,0,0]=2 4473 B10R0.96 CC(=O)NC(=O)CSC(C)C 62a_100000210206_100000183797 [0,1,0,0,0,1|1,0,1]=4 4474 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,1,0,0,0,1|1,0,0]=3 4475 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,1,0,0,0,1|1,0,0]=3 4476 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,1,0,0,0,1|1,0,0]=3 4477 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,1,0,0,0,1|1,0,0]=3 4478 B10R0.96 CC(=O)NCC(=O)CC(C)C 1458a_100000194580_100000210624 [0,1,0,0,0,1|1,0,0]=3 4479 B10R0.96 CC(=O)NCC(=O)CC(C)O 1458a_100000194580_100011218427 [0,1,0,0,0,1|2,0,0]=4 4480 B10R0.96 CC(=O)NCC(=O)NC(C)C 11a_100000168517_100015343762 [0,1,0,0,0,1|1,0,1]=4 4481 B10R0.96 CC(=O)NCC(=O)NC(C)C 11a_100138425928_100000194580 [0,1,0,0,0,1|1,0,1]=4 4482 B10R0.96 CC(=O)NCC(=O)NC(C)C 1626a_100000168517_100015343762 [0,1,0,0,0,1|1,0,1]=4 4483 B10R0.96 CC(=O)NCC(=O)NC(C)C 1626a_100138425928_100000194580 [0,1,0,0,0,1|1,0,1]=4 4484 B10R0.96 CC(=O)NCC(=O)NC(C)C 240690a_100000168517_100015343762 [0,1,0,0,0,1|1,0,1]=4 4485 B10R0.96 CC(=O)NCC(=O)NC(C)C 240690a_100138425928_100000194580 [0,1,0,0,0,1|1,0,1]=4 4486 B10R0.96 CC(=O)NCC(=O)NC(C)C 527a_100000168517_100103153847 [0,1,0,0,0,1|1,0,1]=4 4487 B10R0.96 CC(=O)NCC(=O)NC(C)C 527a_100138425928_100000194580 [0,1,0,0,0,1|1,0,1]=4 4488 B10R0.96 CC(=O)NCC(O)CN(C)C 240690a_100000737402_100015343762 [0,1,0,0,0,1|2,0,0]=4 4489 B10R0.96 CC(=O)NCC(O)CN(C)C 527a_100000737402_100103153847 [0,1,0,0,0,1|2,0,0]=4 4490 B10R0.96 CC(=O)NNC(=O)CC(C)C 22a_100000189765_100000210554 [0,1,0,0,0,1|1,0,1]=4 4491 B10R0.96 CC(=O)NNC(=O)CC(C)C 22a_100000189787_100000070787 [0,1,0,0,0,1|1,0,1]=4 4492 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100000210624_100009818208 [0,1,0,0,0,1|0,0,0]=2 4493 B10R0.96 CC(=O)OC(C)SCC(C)C 62a_100009818208_100000210760 [0,1,0,0,0,1|0,0,0]=2 4494 B10R0.96 CC(=O)OC(C)SCC(C)O 62a_100009818208_100011218427 [0,1,0,0,0,1|1,0,0]=3 4495 B10R0.96 CC(=O)OC(C)SCC(C)O 62a_100011218427_100009818208 [0,1,0,0,0,1|1,0,0]=3 4496 B10R0.96 CC(=O)OC(C)SCC(F)F 62a_100009818208_100011934356 [0,1,0,0,0,1|2,0,0]=4 4497 B10R0.96 CC(=O)OC(C)SCC(F)F 62a_100011934356_100009818208 [0,1,0,0,0,1|2,0,0]=4 4498 B10R0.96 CC(=O)OC(C)SC[C@@H](C)O 62a_100009817552_100009818208 [0,1,0,0,0,1|1,0,0]=3 4499 B10R0.96 CC(=O)OC(C)SC[C@@H](C)O 62a_100009818208_100009817552 [0,1,0,0,0,1|1,0,0]=3 4500 B10R0.96 CC(=O)OCC(=O)CC(C)C 1458a_100000183556_100000210624 [0,1,0,0,0,1|0,0,0]=2 4501 B10R0.96 CC(=O)OCC(=O)CC(C)O 1458a_100000183556_100011218427 [0,1,0,0,0,1|1,0,0]=3 4502 B10R0.96 CC(=O)OCC(=O)CC(F)F 1458a_100000183556_100011934356 [0,1,0,0,0,1|2,0,0]=4 4503 B10R0.96 CC(=O)OCC(=O)CN(C)C 269982a_100102631434_100000036994 [0,1,0,0,0,1|1,0,0]=3 4504 B10R0.96 CC(=O)OCC(=O)NC(C)C 1626a_100138425928_100000183556 [0,1,0,0,0,1|0,0,1]=3 4505 B10R0.96 CC(=O)OCC(=O)NC(C)C 240690a_100138425928_100000183556 [0,1,0,0,0,1|0,0,1]=3 4506 B10R0.96 CC(=O)OCC(=O)NC(C)C 527a_100138425928_100000183556 [0,1,0,0,0,1|0,0,1]=3 4507 B10R0.96 CC(=O)OCC(O)CN(C)C 269982a_100102631434_200000139349 [0,1,0,0,0,1|1,0,0]=3 4508 B10R0.96 CC(=O)OCN(C)CC(C)C 269982a_100000747067_100000076356 [0,1,0,0,0,1|0,0,0]=2 4509 B10R0.96 CC(=O)OCN(C)CC(C)O 269982a_100000227577_100000076356 [0,1,0,0,0,1|1,0,0]=3 4510 B10R0.96 CC(=O)SCC(=O)CC(C)C 1458a_100000049016_100000210624 [0,1,0,0,0,1|0,1,0]=3 4511 B10R0.96 CC(=O)SCC(=O)CC(C)O 1458a_100000049016_100011218427 [0,1,0,0,0,1|1,1,0]=4 4512 B10R0.96 CC(=O)SCC(=O)NC(C)C 11a_100138425928_100000049016 [0,1,0,0,0,1|0,1,1]=4 4513 B10R0.96 CC(=O)SCC(=O)NC(C)C 1626a_100138425928_100000049016 [0,1,0,0,0,1|0,1,1]=4 4514 B10R0.96 CC(=O)SCC(=O)NC(C)C 240690a_100138425928_100000049016 [0,1,0,0,0,1|0,1,1]=4 4515 B10R0.96 CC(=O)SCC(C)CN(C)C 2230a_100102631434_200000116872 [0,1,0,0,0,1|1,1,0]=4 4516 B10R0.96 CC(=O)SCC(C)CN(C)C 269982a_100102631434_200000116872 [0,1,0,0,0,1|1,1,0]=4 4517 B10R0.96 CC(C)CC(=O)CCC(=O)N 1458a_100011215257_100000210624 [0,1,0,0,0,1|2,0,0]=4 4518 B10R0.96 CC(C)CC(=O)CNC(=O)N 1458a_100000184981_100000210624 [0,1,0,0,0,1|2,0,0]=4 4519 B10R0.96 CC(C)CC(=O)COC(C)C 1458a_100000745533_100000210624 [0,1,0,0,0,1|1,0,1]=4 4520 B10R0.96 CC(C)CC(=O)NCC(=O)[13CH3] 1458a_100000194594_200025704644 [0,1,0,0,0,1|1,0,1]=4 4521 B10R0.96 CC(C)CC(C)NCC(=O)N 2230a_100000692259_100000747473 [0,1,0,0,0,1|2,0,0]=4 4522 B10R0.96 CC(C)CC(C)NCC(=O)N 2230a_100000711301_100000731052 [0,1,0,0,0,1|2,0,0]=4 4523 B10R0.96 CC(C)CC(C)NCC(=O)O 269956a_100016091260_100000731052 [0,1,0,0,0,1|2,0,0]=4 4524 B10R0.96 CC(C)CC(C)OCC(=O)N 34a_100000211805_100000187820 [0,1,0,0,0,1|1,0,0]=3 4525 B10R0.96 CC(C)CC(C)OCC(=O)N 7a_100000211805_100000187820 [0,1,0,0,0,1|1,0,0]=3 4526 B10R0.96 CC(C)CC(C)OCC(=O)[O-] 34a_100000211805_100020667443 [0,1,0,0,0,1|1,0,0]=3 4527 B10R0.96 CC(C)CC(C)OCC(C)Br 34a_100012180447_100000731052 [0,1,0,0,0,1|1,0,1]=4 4528 B10R0.96 CC(C)CC(C)OCC(C)F 34a_100015925927_100000731052 [0,1,0,0,0,1|1,0,1]=4 4529 B10R0.96 CC(C)CC(C)OCC(C)O 34a_100000211805_100011218427 [0,1,0,0,0,1|0,0,2]=4 4530 B10R0.96 CC(C)CC(C)OCC(C)O 7a_100000211805_100011218427 [0,1,0,0,0,1|0,0,2]=4 4531 B10R0.96 CC(C)CC(C)OC[C@@H](C)Cl 34a_100016084084_100000731052 [0,1,0,0,0,1|1,0,1]=4 4532 B10R0.96 CC(C)CC(C)OC[C@@H](C)N 34a_100000737577_100000731052 [0,1,0,0,0,1|1,0,1]=4 4533 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 34a_100000211805_100009817552 [0,1,0,0,0,1|0,0,2]=4 4534 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 7a_100000211805_100009817552 [0,1,0,0,0,1|0,0,2]=4 4535 B10R0.96 CC(C)CC(C)OC[N+](=O)[O-] 34a_100000211805_100000761209 [0,1,0,0,0,1|2,0,0]=4 4536 B10R0.96 CC(C)CC(C)SCC(=O)N 62a_100000731052_100000747473 [0,1,0,0,0,1|1,1,0]=4 4537 B10R0.96 CC(C)CC(C)SCC(=O)N 62a_100000747473_100000731052 [0,1,0,0,0,1|1,1,0]=4 4538 B10R0.96 CC(C)CC(C)SCC(=O)[O-] 62a_100000731052_100020667443 [0,1,0,0,0,1|1,1,0]=4 4539 B10R0.96 CC(C)CC(C)SCC(=O)[O-] 62a_100020667443_100000731052 [0,1,0,0,0,1|1,1,0]=4 4540 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100000181311_100000187820 [0,1,0,0,0,1|2,0,0]=4 4541 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100134613110_100000210312 [0,1,0,0,0,1|2,0,0]=4 4542 B10R0.96 CC(C)CCC(=O)CC(=O)[O-] 1458a_100000181311_100020667443 [0,1,0,0,0,1|2,0,0]=4 4543 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100000212225_100011261404 [0,1,0,0,0,1|1,0,1]=4 4544 B10R0.96 CC(C)CCC(C)OC(C)C 34a_100011215350_100000210206 [0,1,0,0,0,1|1,0,1]=4 4545 B10R0.96 CC(C)CCC(C)OC(C)C 7a_100011215350_100000210206 [0,1,0,0,0,1|1,0,1]=4 4546 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000739694_100000210312 [0,1,0,0,0,1|2,0,0]=4 4547 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000742789_100000747473 [0,1,0,0,0,1|2,0,0]=4 4548 B10R0.96 CC(C)CCN(C)CC(=O)N 269982a_100000742789_100000187820 [0,1,0,0,0,1|2,0,0]=4 4549 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,1,0,0,0,1|2,0,0]=4 4550 B10R0.96 CC(C)CCN(C)CC(=O)[O-] 269982a_100000742789_100020667443 [0,1,0,0,0,1|2,0,0]=4 4551 B10R0.96 CC(C)CN(C)CCC(=O)N 2230a_100000730477_100000210760 [0,1,0,0,0,1|2,0,0]=4 4552 B10R0.96 CC(C)CN(C)CCC(=O)N 2230a_100000747067_100000744528 [0,1,0,0,0,1|2,0,0]=4 4553 B10R0.96 CC(C)CN(C)CCC(=O)N 269982a_100000747067_100000744528 [0,1,0,0,0,1|2,0,0]=4 4554 B10R0.96 CC(C)CN(C)CCC(=O)N 270004a_100000730477_100000210432 [0,1,0,0,0,1|2,0,0]=4 4555 B10R0.96 CC(C)CN(C)COC(C)C 2230a_100000747067_100000709892 [0,1,0,0,0,1|1,0,1]=4 4556 B10R0.96 CC(C)CN(C)COC(C)C 269982a_100000747067_100000709892 [0,1,0,0,0,1|1,0,1]=4 4557 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000210257_100000731052 [0,1,0,0,0,1|1,0,1]=4 4558 B10R0.96 CC(C)COC(C)CC(C)C 34a_100000211805_100000210624 [0,1,0,0,0,1|1,0,1]=4 4559 B10R0.96 CC(C)COC(C)CC(C)C 7a_100000211805_100000210760 [0,1,0,0,0,1|1,0,1]=4 4560 B10R0.96 CC(C)C[C@H](N)COC(C)C 34a_100011830311_100000210206 [0,1,0,0,0,1|1,0,1]=4 4561 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [0,1,0,0,0,1|2,0,0]=4 4562 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,1,0,0,0,1|2,0,0]=4 4563 B10R0.98 C=C(C)C(=O)CCOC(=O)C 1458a_100000185857_100009814007 [0,1,0,0,0,1|0,0,2]=4 4564 B10R0.98 C=C(C)C(=O)CCOC(C)C 1458a_100000185857_100000211751 [0,1,0,0,0,1|2,0,0]=4 4565 B10R0.98 C=C(C)C(=O)CCSC(C)C 1458a_100000185857_100000730970 [0,1,0,0,0,1|2,0,0]=4 4566 B10R0.98 C=C(C)C(=O)NCCC(C)C 11a_100000210545_100000185857 [0,1,0,0,0,1|2,0,0]=4 4567 B10R0.98 C=C(C)C(=O)NCCC(C)C 1626a_100000210545_100000185857 [0,1,0,0,0,1|2,0,0]=4 4568 B10R0.98 C=C(C)C(=O)OCCN(C)C 2230a_100102631434_100009816335 [0,1,0,0,0,1|2,0,0]=4 4569 B10R0.98 C=C(C)C(=O)OCCN(C)C 269982a_100102631434_100009816335 [0,1,0,0,0,1|2,0,0]=4 4570 B10R0.98 C=C(C)C(C)NCCC(C)C 269862a_100000210545_100011216138 [0,1,0,0,0,1|2,0,0]=4 4571 B10R0.98 C=C(C)CCNC(C)C(C)C 2230a_100000211541_100000730704 [0,1,0,0,0,1|2,0,0]=4 4572 B10R0.98 C=C(C)CCOC(C)C(=O)C 34a_100000212229_100000730704 [0,1,0,0,0,1|0,0,2]=4 4573 B10R0.98 C=C(C)CCOC(C)C(C)C 7a_100000748068_100000730704 [0,1,0,0,0,1|2,0,0]=4 4574 B10R0.98 C=C(C)CNCC(O)C(C)C 2230a_100000759067_100000748629 [0,1,0,0,0,1|2,0,0]=4 4575 B10R0.98 C=C(C)CNCC(O)C(C)C 34a_100000759067_100000748629 [0,1,0,0,0,1|2,0,0]=4 4576 B10R0.98 C=C(C)COCC(=O)C(C)C 34a_100000210245_100000753385 [0,1,0,0,0,1|1,0,1]=4 4577 B10R0.98 C=C(C)COC[C@H](N)C(C)C 34a_100011830312_100000748629 [0,1,0,0,0,1|1,0,0]=3 4578 B10R0.98 C=C(F)COC[C@H](N)C(C)C 34a_100011830312_100009893438 [0,1,0,0,0,1|1,0,1]=4 4579 B10R0.98 CC(=CCCC(=O)C(C)C)C 1458a_100000210198_100011217483 [0,1,0,0,0,1|2,0,0]=4 4580 B10R0.98 CC(=CCCN(C)C(C)C)C 269982a_200000211004_100011217483 [0,1,0,0,0,1|2,0,0]=4 4581 B10R0.98 CC(=CCNC(C)C(C)C)C 2230a_100000211541_100000761012 [0,1,0,0,0,1|2,0,0]=4 4582 B10R0.98 CC(=CCOC(C)C(C)C)C 7a_100000748068_100000761012 [0,1,0,0,0,1|2,0,0]=4 4583 B10R0.98 CC(=O)C(=O)CNCC(C)C 34a_100000210953_100011261029 [0,1,0,0,0,1|1,0,0]=3 4584 B10R0.98 CC(=O)C(=O)CNCC(C)O 34a_100000210904_100011261029 [0,1,0,0,0,1|2,0,0]=4 4585 B10R0.98 CC(=O)C(=O)COCC(C)Br 34a_100012180447_100011261029 [0,1,0,0,0,1|2,0,0]=4 4586 B10R0.98 CC(=O)C(=O)COCC(C)C 34a_100000210257_100011261029 [0,1,0,0,0,1|1,0,0]=3 4587 B10R0.98 CC(=O)C(=O)COCC(C)F 34a_100015925927_100011261029 [0,1,0,0,0,1|2,0,0]=4 4588 B10R0.98 CC(=O)C(=O)COC[C@@H](C)Cl 34a_100016084084_100011261029 [0,1,0,0,0,1|2,0,0]=4 4589 B10R0.98 CC(=O)C(=O)COC[C@@H](C)N 34a_100000737577_100011261029 [0,1,0,0,0,1|2,0,0]=4 4590 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100000210624_100011261029 [0,1,0,0,0,1|1,0,0]=3 4591 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100011261029_100000210760 [0,1,0,0,0,1|1,0,0]=3 4592 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011218427_100011261029 [0,1,0,0,0,1|2,0,0]=4 4593 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011261029_100011218427 [0,1,0,0,0,1|2,0,0]=4 4594 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100011261029 [0,1,0,0,0,1|2,0,0]=4 4595 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100011261029_100009817552 [0,1,0,0,0,1|2,0,0]=4 4596 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [0,1,0,0,0,1|1,0,0]=3 4597 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [0,1,0,0,0,1|1,0,0]=3 4598 B10R0.98 CC(=O)C(C)COCC(C)O 34a_100000032740_100011218427 [0,1,0,0,0,1|2,0,0]=4 4599 B10R0.98 CC(=O)C(C)COCC(C)O 7a_100000032740_100011218427 [0,1,0,0,0,1|2,0,0]=4 4600 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 34a_100000032740_100009817552 [0,1,0,0,0,1|2,0,0]=4 4601 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 7a_100000032740_100009817552 [0,1,0,0,0,1|2,0,0]=4 4602 B10R0.98 CC(=O)C(C)NCCC(C)O 2230a_200000755665_100009814033 [0,1,0,0,0,1|2,0,0]=4 4603 B10R0.98 CC(=O)C(C)OCC=C(C)C 34a_100000212229_100000761012 [0,1,0,0,0,1|0,0,2]=4 4604 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [0,1,0,0,0,1|0,0,0]=2 4605 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [0,1,0,0,0,1|0,0,0]=2 4606 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [0,1,0,0,0,1|1,0,0]=3 4607 B10R0.98 CC(=O)C(C)OCOC(C)C 34a_100000212229_100000709892 [0,1,0,0,0,1|1,0,0]=3 4608 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [0,1,0,0,0,1|0,1,0]=3 4609 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [0,1,0,0,0,1|0,1,0]=3 4610 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100009814033_100012276601 [0,1,0,0,0,1|1,1,0]=4 4611 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100012276601_100009814033 [0,1,0,0,0,1|1,1,0]=4 4612 B10R0.98 CC(=O)C(C)SCCN(C)C 62a_100009814033_100000755713 [0,1,0,0,0,1|1,1,0]=4 4613 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100000709892_100009814033 [0,1,0,0,0,1|1,1,0]=4 4614 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100009814033_100000709892 [0,1,0,0,0,1|1,1,0]=4 4615 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,1,0,0,0,1|1,0,0]=3 4616 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [0,1,0,0,0,1|2,0,0]=4 4617 B10R0.98 CC(=O)CCCC(=O)N(C)C 1458a_100000070787_100000737642 [0,1,0,0,0,1|2,0,0]=4 4618 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,1,0,0,0,1|2,0,0]=4 4619 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,1,0,0,0,1|2,0,0]=4 4620 B10R0.98 CC(=O)CCCN(C)C(C)C 269982a_200000211004_100011215641 [0,1,0,0,0,1|1,0,0]=3 4621 B10R0.98 CC(=O)CCOC(C)C(=O)C 7a_100000759926_100000179758 [0,1,0,0,0,1|1,0,1]=4 4622 B10R0.98 CC(=O)CCOC(C)C(C)C 7a_100000748068_100000053229 [0,1,0,0,0,1|1,0,0]=3 4623 B10R0.98 CC(=O)COCC(=O)C(C)C 34a_100000211253_100000753385 [0,1,0,0,0,1|0,0,1]=3 4624 B10R0.98 CC(=O)COCC(=O)N(C)C 34a_100000211253_100000692301 [0,1,0,0,0,1|1,0,1]=4 4625 B10R0.98 CC(=O)N(C)CCCN(C)C 240690a_100000225831_100015343762 [0,1,0,0,0,1|2,0,0]=4 4626 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000183196_100000210206 [0,1,0,0,0,1|1,0,0]=3 4627 B10R0.98 CC(=O)NCCC(=O)C(C)C 1458a_100000210198_100000189650 [0,1,0,0,0,1|1,0,0]=3 4628 B10R0.98 CC(=O)NCCC(=O)C(C)F 1458a_100000062450_100000189650 [0,1,0,0,0,1|2,0,0]=4 4629 B10R0.98 CC(=O)NCCC(=O)N(C)C 11a_100000738053_100015343762 [0,1,0,0,0,1|2,0,0]=4 4630 B10R0.98 CC(=O)NCCC(=O)N(C)C 11a_100102631434_100000183196 [0,1,0,0,0,1|2,0,0]=4 4631 B10R0.98 CC(=O)NCCC(=O)N(C)C 1626a_100102631434_100000183196 [0,1,0,0,0,1|2,0,0]=4 4632 B10R0.98 CC(=O)NCCC(=O)N(C)C 240690a_100000738053_100015343762 [0,1,0,0,0,1|2,0,0]=4 4633 B10R0.98 CC(=O)NCCC(=O)N(C)C 240690a_100102631434_100000183196 [0,1,0,0,0,1|2,0,0]=4 4634 B10R0.98 CC(=O)NCCC(=O)N(C)C 527a_100000738053_100103153847 [0,1,0,0,0,1|2,0,0]=4 4635 B10R0.98 CC(=O)NCCC(=O)N(C)C 527a_100102631434_100000183196 [0,1,0,0,0,1|2,0,0]=4 4636 B10R0.98 CC(=O)NCCC(=O)[C@@H](C)O 1458a_100000717761_100000189650 [0,1,0,0,0,1|2,0,0]=4 4637 B10R0.98 CC(=O)NCCC(=O)[C@H](C)O 1458a_217856618621_100000189650 [0,1,0,0,0,1|2,0,0]=4 4638 B10R0.98 CC(=O)NCCN(C)C(C)C 1626a_100000749581_100015343762 [0,1,0,0,0,1|1,0,0]=3 4639 B10R0.98 CC(=O)NCCN(C)C(C)C 240690a_100000749581_100015343762 [0,1,0,0,0,1|1,0,0]=3 4640 B10R0.98 CC(=O)NCCN(C)C(C)C 269982a_200000211004_100000189650 [0,1,0,0,0,1|1,0,0]=3 4641 B10R0.98 CC(=O)NCCN(C)C(C)C 527a_100000749581_100103153847 [0,1,0,0,0,1|1,0,0]=3 4642 B10R0.98 CC(=O)OCCC(=O)C(C)C 1458a_100000210198_100009814007 [0,1,0,0,0,1|0,0,0]=2 4643 B10R0.98 CC(=O)OCCC(=O)C(C)F 1458a_100000062450_100009814007 [0,1,0,0,0,1|1,0,0]=3 4644 B10R0.98 CC(=O)OCCC(=O)C(O)O 1458a_100000233687_100009814007 [0,1,0,0,0,1|2,0,0]=4 4645 B10R0.98 CC(=O)OCCC(=O)[C@@H](C)O 1458a_100000717761_100009814007 [0,1,0,0,0,1|1,0,0]=3 4646 B10R0.98 CC(=O)OCCC(=O)[C@H](C)O 1458a_217856618621_100009814007 [0,1,0,0,0,1|1,0,0]=3 4647 B10R0.98 CC(=O)OCCN(C)C(C)C 269982a_200000211004_100009814007 [0,1,0,0,0,1|0,0,0]=2 4648 B10R0.98 CC(=O)OCOC(C)C(=O)C 34a_100000212229_100009813279 [0,1,0,0,0,1|1,0,1]=4 4649 B10R0.98 CC(=O)OCSC(C)C(=O)C 62a_100000076356_100009814033 [0,1,0,0,0,1|1,0,1]=4 4650 B10R0.98 CC(=O)OCSC(C)C(=O)C 62a_100009814033_100000076356 [0,1,0,0,0,1|1,0,1]=4 4651 B10R0.98 CC(=O)SCCC(=O)C(C)C 1458a_100000048949_100000210206 [0,1,0,0,0,1|0,1,0]=3 4652 B10R0.98 CC(=O)SCCC(=O)N(C)C 1626a_100102631434_100000048949 [0,1,0,0,0,1|1,1,0]=4 4653 B10R0.98 CC(=O)SCCC(=O)N(C)C 240690a_100102631434_100000048949 [0,1,0,0,0,1|1,1,0]=4 4654 B10R0.98 CC(Br)CCOC(C)C(=O)N 34a_100009893172_100000702099 [0,1,0,0,0,1|2,0,0]=4 4655 B10R0.98 CC(Br)CCOC(F)C(=O)N 34a_100009893172_100009813875 [0,1,0,0,0,1|2,0,0]=4 4656 B10R0.98 CC(Br)CCOC(F)C(=O)[O-] 34a_100009893172_100020610796 [0,1,0,0,0,1|2,0,0]=4 4657 B10R0.98 CC(C)C(=O)CCCC(=O)N 1458a_100000210198_100102525003 [0,1,0,0,0,1|2,0,0]=4 4658 B10R0.98 CC(C)C(=O)CCNC(=O)N 1458a_100000181464_100000210206 [0,1,0,0,0,1|2,0,0]=4 4659 B10R0.98 CC(C)C(=O)CCNC(=O)N 1458a_100000210198_200000034859 [0,1,0,0,0,1|2,0,0]=4 4660 B10R0.98 CC(C)C(=O)CCOC(=O)N 1458a_100000210198_200011214921 [0,1,0,0,0,1|1,0,0]=3 4661 B10R0.98 CC(C)C(=O)COCC(=O)N 1458a_100011219004_100000210206 [0,1,0,0,0,1|1,0,1]=4 4662 B10R0.98 CC(C)C(C)NCCC(=O)N 2230a_100000211541_100000744528 [0,1,0,0,0,1|2,0,0]=4 4663 B10R0.98 CC(C)C(C)OCCC(=O)N 7a_100000748068_100000744528 [0,1,0,0,0,1|2,0,0]=4 4664 B10R0.98 CC(C)C(O)CNCC(=O)N 2230a_100000759067_100000747473 [0,1,0,0,0,1|2,0,0]=4 4665 B10R0.98 CC(C)C(O)CNCC(=O)N 34a_100000759067_100000187820 [0,1,0,0,0,1|2,0,0]=4 4666 B10R0.98 CC(C)C(O)CNCC(=O)[O-] 34a_100000759067_100020667443 [0,1,0,0,0,1|2,0,0]=4 4667 B10R0.98 CC(C)CCNC(=O)C(=O)N 240690a_100000210545_100011215815 [0,1,0,0,0,1|2,0,0]=4 4668 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,1,0,0,0,1|2,0,0]=4 4669 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000210312 [0,1,0,0,0,1|2,0,0]=4 4670 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000210312 [0,1,0,0,0,1|2,0,0]=4 4671 B10R0.98 CC(C)CCOC(C)C(=O)N 34a_100000210254_100000702099 [0,1,0,0,0,1|1,0,0]=3 4672 B10R0.98 CC(C)CCOC(C)C(=O)N 7a_100000210254_100000702099 [0,1,0,0,0,1|1,0,0]=3 4673 B10R0.98 CC(C)CCOC(C)C(C)C 7a_100000748068_100000210626 [0,1,0,0,0,1|1,0,1]=4 4674 B10R0.98 CC(C)CCOC(F)C(=O)N 34a_100000210254_100009813875 [0,1,0,0,0,1|1,0,0]=3 4675 B10R0.98 CC(C)CCOC(F)C(=O)N 7a_100000210254_100009813875 [0,1,0,0,0,1|1,0,0]=3 4676 B10R0.98 CC(C)CCOC(F)C(=O)[O-] 34a_100000210254_100020610796 [0,1,0,0,0,1|1,0,0]=3 4677 B10R0.98 CC(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210626 [0,1,0,0,0,1|1,0,0]=3 4678 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000210312 [0,1,0,0,0,1|1,0,0]=3 4679 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000210626 [0,1,0,0,0,1|1,0,0]=3 4680 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000210312_100000702099 [0,1,0,0,0,1|1,1,0]=4 4681 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000702099_100000210312 [0,1,0,0,0,1|1,1,0]=4 4682 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100000210312_100009813875 [0,1,0,0,0,1|1,1,0]=4 4683 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100009813875_100000210312 [0,1,0,0,0,1|1,1,0]=4 4684 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100000210312_100020610796 [0,1,0,0,0,1|1,1,0]=4 4685 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100020610796_100000210312 [0,1,0,0,0,1|1,1,0]=4 4686 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,1,0,0,0,1|2,0,0]=4 4687 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,1,0,0,0,1|2,0,0]=4 4688 B10R0.98 CC(C)COC[C@H](N)C(=O)N 34a_100000729942_100000210624 [0,1,0,0,0,1|2,0,0]=4 4689 B10R0.98 CC(C)COC[C@H](N)C(C)C 34a_100011830312_100000210624 [0,1,0,0,0,1|1,0,1]=4 4690 B10R0.98 CC(C)N(C)CCCC(=O)N 269982a_200000211004_100102525003 [0,1,0,0,0,1|2,0,0]=4 4691 B10R0.98 CC(C)N(C)CCCC(=O)O 269956a_100000719178_100000210206 [0,1,0,0,0,1|2,0,0]=4 4692 B10R0.98 CC(C)N(C)CCNC(=O)N 269982a_200000211004_200000034859 [0,1,0,0,0,1|2,0,0]=4 4693 B10R0.98 CC(C)N(C)CCOC(=O)N 269982a_200000211004_200011214921 [0,1,0,0,0,1|1,0,0]=3 4694 B10R0.98 CC(C)OCCC(=O)C(C)C 1458a_100000210198_100000211751 [0,1,0,0,0,1|1,0,1]=4 4695 B10R0.98 CC(C)OCCC(N)C(C)C 34a_100161115045_100000210206 [0,1,0,0,0,1|1,0,1]=4 4696 B10R0.98 CC(C)OCCN(C)C(C)C 269982a_200000211004_100000211751 [0,1,0,0,0,1|1,0,1]=4 4697 B10R0.98 CC(C)OCNC(C)C(C)C 2230a_100000211541_100000709892 [0,1,0,0,0,1|1,0,1]=4 4698 B10R0.98 CC(C)OCO[C@H](C)C(=O)N 34a_100000731257_100000709892 [0,1,0,0,0,1|2,0,0]=4 4699 B10R0.98 CC(C)[C@@H](N)COCC(=O)N 34a_100011830312_100000187820 [0,1,0,0,0,1|1,0,0]=3 4700 B10R0.98 CC(C)[C@@H](N)COCC(=O)[O-] 34a_100011830312_100020667443 [0,1,0,0,0,1|1,0,0]=3 4701 B10R0.98 CC(C)[C@@H](N)COC[C@@H](C)O 34a_100011830312_100009817552 [0,1,0,0,0,1|0,0,2]=4 4702 B10R0.98 CC(C)[C@@H](N)COC[N+](=O)[O-] 34a_100011830312_100000761209 [0,1,0,0,0,1|2,0,0]=4 4703 B10R0.98 CC(F)C(=O)CCOC(=O)N 1458a_100000062450_200011214921 [0,1,0,0,0,1|2,0,0]=4 4704 B10R0.98 CC(O)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100012276601 [0,1,0,0,0,1|2,0,0]=4 4705 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 34a_100000731257_100012276601 [0,1,0,0,0,1|2,0,0]=4 4706 B10R0.98 CC(O)CCO[C@H](C)C(=O)N 7a_100000731257_100012276601 [0,1,0,0,0,1|2,0,0]=4 4707 B10R0.98 CC(O)COC[C@H](N)C(C)C 34a_100011830312_100011218427 [0,1,0,0,0,1|0,0,2]=4 4708 B10R0.98 CC(OCC[C@@H](C)N)C(=O)N 34a_100000706166_100000702099 [0,1,0,0,0,1|2,0,0]=4 4709 B10R0.98 C[C@@H](N)CCOC(F)C(=O)N 34a_100000706166_100009813875 [0,1,0,0,0,1|2,0,0]=4 4710 B10R0.98 C[C@@H](N)CCOC(F)C(=O)[O-] 34a_100000706166_100020610796 [0,1,0,0,0,1|2,0,0]=4 4711 B10R0.98 C[C@@H](O)C(=O)CCOC(=O)N 1458a_100000717761_200011214921 [0,1,0,0,0,1|2,0,0]=4 4712 B10R0.98 C[C@@H](OCCN(C)C)C(=O)N 7a_100000731257_100000755713 [0,1,0,0,0,1|2,0,0]=4 4713 B10R0.98 C[C@H](O)C(=O)CCOC(=O)N 1458a_217856618621_200011214921 [0,1,0,0,0,1|2,0,0]=4 4714 B10R0.98 C[C@H](OCCN(C)C)C(=O)[O-] 7a_217856618621_100000755713 [0,1,0,0,0,1|2,0,0]=4 4715 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011216857_100000184674 [0,2,0,0,0,0|1,0,0]=3 4716 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011220946_100011214892 [0,2,0,0,0,0|1,0,0]=3 4717 B10R0.3 C#CCC(=O)CCCC(C)O 1458a_100011220946_200000718107 [0,2,0,0,0,0|2,0,0]=4 4718 B10R0.3 C#CCC(=O)CCCN(C)C 1458a_100011220946_100000695564 [0,2,0,0,0,0|2,0,0]=4 4719 B10R0.3 C#CCC(=O)CCOC(=O)C 1458a_100011220946_100009814007 [0,2,0,0,0,0|1,0,1]=4 4720 B10R0.3 C#CCC(=O)CCOC(C)C 1458a_100011220946_100000211751 [0,2,0,0,0,0|2,0,0]=4 4721 B10R0.3 C#CCC(=O)CCSC(C)C 1458a_100011220946_100000730970 [0,2,0,0,0,0|2,0,0]=4 4722 B10R0.3 C#CCC(=O)COCC(C)C 1458a_100011223364_100000184674 [0,2,0,0,0,0|2,0,0]=4 4723 B10R0.3 C#CCC(=O)NCCC(C)C 1626a_100000210545_100011220946 [0,2,0,0,0,0|1,0,0]=3 4724 B10R0.3 C#CCC(=O)NCCC(C)C 527a_100000210545_100011220946 [0,2,0,0,0,0|1,0,0]=3 4725 B10R0.3 C#CCC(=O)NCCC(C)O 527a_200000755665_100011220946 [0,2,0,0,0,0|2,0,0]=4 4726 B10R0.3 C#CCC(=O)NCCN(C)C 527a_100000210585_100011220946 [0,2,0,0,0,0|2,0,0]=4 4727 B10R0.3 C#CCC(C)OCCC(=O)C 7a_100000685586_100000053229 [0,2,0,0,0,0|2,0,0]=4 4728 B10R0.3 C#CCC(C)OCCC(C)C 34a_100000685586_100000210312 [0,2,0,0,0,0|1,0,1]=4 4729 B10R0.3 C#CCC(C)OCCC(C)C 7a_100000685586_100000210626 [0,2,0,0,0,0|1,0,1]=4 4730 B10R0.3 C#CCC(C)OCOC(=O)C 34a_100000685586_100009813279 [0,2,0,0,0,0|1,0,0]=3 4731 B10R0.3 C#CCN(C)CCCC(=O)C 34a_100000225692_100000685027 [0,2,0,0,0,0|2,0,0]=4 4732 B10R0.3 C#CCN(C)CCNC(=O)C 2230a_100000225692_100000189650 [0,2,0,0,0,0|2,0,0]=4 4733 B10R0.3 C#CCN(C)CCOC(=O)C 34a_100000225692_100009814007 [0,2,0,0,0,0|1,0,0]=3 4734 B10R0.3 C#CCN(C)CCOC(=O)N 34a_100000225692_200011214921 [0,2,0,0,0,0|2,0,0]=4 4735 B10R0.3 C/C=C/C(C)OCCC(C)C 34a_200102604097_100000210312 [0,2,0,0,0,0|1,0,1]=4 4736 B10R0.3 C/C=C/C(C)OCOC(=O)C 34a_200102604097_100009813279 [0,2,0,0,0,0|1,0,0]=3 4737 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [0,2,0,0,0,0|1,0,0]=3 4738 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [0,2,0,0,0,0|1,0,0]=3 4739 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,2,0,0,0,0|2,0,0]=4 4740 B10R0.3 C=CCC(=O)CCCN(C)C 1458a_100000210193_100000695564 [0,2,0,0,0,0|2,0,0]=4 4741 B10R0.3 C=CCC(=O)CCOC(=O)C 1458a_100000210193_100009814007 [0,2,0,0,0,0|1,0,1]=4 4742 B10R0.3 C=CCC(=O)CCOC(C)C 1458a_100000210193_100000211751 [0,2,0,0,0,0|2,0,0]=4 4743 B10R0.3 C=CCC(=O)CCSC(C)C 1458a_100000210193_100000730970 [0,2,0,0,0,0|2,0,0]=4 4744 B10R0.3 C=CCC(=O)COCC(C)C 1458a_100011223364_100000210623 [0,2,0,0,0,0|2,0,0]=4 4745 B10R0.3 C=CCC(=O)NCCC(C)C 11a_100000210545_100000210193 [0,2,0,0,0,0|1,0,0]=3 4746 B10R0.3 C=CCC(=O)NCCC(C)C 1626a_100000210545_100000210193 [0,2,0,0,0,0|1,0,0]=3 4747 B10R0.3 C=CCC(=O)NCCC(C)C 240690a_100000210545_100000210193 [0,2,0,0,0,0|1,0,0]=3 4748 B10R0.3 C=CCC(=O)NCCC(C)C 527a_100000210545_100000210193 [0,2,0,0,0,0|1,0,0]=3 4749 B10R0.3 C=CCC(=O)NCCC(C)O 240690a_200000755665_100000210193 [0,2,0,0,0,0|2,0,0]=4 4750 B10R0.3 C=CCC(=O)NCCC(C)O 527a_200000755665_100000210193 [0,2,0,0,0,0|2,0,0]=4 4751 B10R0.3 C=CCC(=O)NCCN(C)C 240690a_100000210585_100000210193 [0,2,0,0,0,0|2,0,0]=4 4752 B10R0.3 C=CCC(=O)NCCN(C)C 527a_100000210585_100000210193 [0,2,0,0,0,0|2,0,0]=4 4753 B10R0.3 C=CCC(=O)NNCC(C)C 22a_100000696102_100000210193 [0,2,0,0,0,0|2,0,0]=4 4754 B10R0.3 C=CCN(C)CCCC(=O)C 269982a_100000225617_100011215641 [0,2,0,0,0,0|2,0,0]=4 4755 B10R0.3 C=CCN(C)CCNC(=O)C 2230a_100000225617_100000189650 [0,2,0,0,0,0|2,0,0]=4 4756 B10R0.3 C=CCN(C)CCNC(=O)C 269982a_100000225617_100000189650 [0,2,0,0,0,0|2,0,0]=4 4757 B10R0.3 C=CCN(C)CCOC(=O)C 269982a_100000225617_100009814007 [0,2,0,0,0,0|1,0,0]=3 4758 B10R0.3 C=CCN(C)CCOC(=O)N 269982a_100000225617_200011214921 [0,2,0,0,0,0|2,0,0]=4 4759 B10R0.3 C=CC[C@@H](C)OCCC(=O)C 7a_100000731007_100000053229 [0,2,0,0,0,0|2,0,0]=4 4760 B10R0.3 C=CC[C@@H](C)OCCC(C)C 34a_100000731007_100000210312 [0,2,0,0,0,0|1,0,1]=4 4761 B10R0.3 C=CC[C@@H](C)OCCC(C)C 7a_100000731007_100000210626 [0,2,0,0,0,0|1,0,1]=4 4762 B10R0.3 C=CC[C@@H](C)OCOC(=O)C 34a_100000731007_100009813279 [0,2,0,0,0,0|1,0,0]=3 4763 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [0,2,0,0,0,0|1,0,0]=3 4764 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,2,0,0,0,0|2,0,0]=4 4765 B10R0.3 CC#CC(=O)CCCN(C)C 1458a_100000763181_100000695564 [0,2,0,0,0,0|2,0,0]=4 4766 B10R0.3 CC#CC(=O)CCOC(=O)C 1458a_100000763181_100009814007 [0,2,0,0,0,0|1,0,1]=4 4767 B10R0.3 CC#CC(=O)CCOC(C)C 1458a_100000763181_100000211751 [0,2,0,0,0,0|2,0,0]=4 4768 B10R0.3 CC#CC(=O)CCSC(C)C 1458a_100000763181_100000730970 [0,2,0,0,0,0|2,0,0]=4 4769 B10R0.3 CC#CC(=O)NNCC(C)C 22a_100000696102_100000763181 [0,2,0,0,0,0|2,0,0]=4 4770 B10R0.3 CC#CC(C)OCCC(C)C 34a_100011216543_100000210312 [0,2,0,0,0,0|1,0,1]=4 4771 B10R0.3 CC#CC(C)OCOC(=O)C 34a_100011216543_100009813279 [0,2,0,0,0,0|1,0,0]=3 4772 B10R0.3 CC(=CCCC(C)OCF)C 34a_100102619829_100015361967 [0,2,0,0,0,0|2,0,0]=4 4773 B10R0.3 CC(=CCCC(C)OCF)C 7a_100102619829_100015361967 [0,2,0,0,0,0|2,0,0]=4 4774 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [0,2,0,0,0,0|2,0,0]=4 4775 B10R0.3 CC(=O)CCOC(C)CC#N 7a_100000759926_100009813641 [0,2,0,0,0,0|2,0,0]=4 4776 B10R0.3 CC(=O)CCOC(C)CCO 34a_100000759926_100009893172 [0,2,0,0,0,0|2,0,0]=4 4777 B10R0.3 CC(=O)CCOC(C)CCO 7a_100000759926_100009893172 [0,2,0,0,0,0|2,0,0]=4 4778 B10R0.3 CC(=O)CCSC(C)CC#N 62a_100000053229_100009813641 [0,2,0,0,0,0|2,0,0]=4 4779 B10R0.3 CC(=O)CCSC(C)CC#N 62a_100009813641_100000053229 [0,2,0,0,0,0|2,0,0]=4 4780 B10R0.3 CC(=O)CCSC(C)CCO 62a_100000053229_100009893172 [0,2,0,0,0,0|2,0,0]=4 4781 B10R0.3 CC(=O)CCSC(C)CCO 62a_100009893172_100000053229 [0,2,0,0,0,0|2,0,0]=4 4782 B10R0.3 CC(=O)NCCN(C)CC#N 2230a_100000748184_100000189650 [0,2,0,0,0,0|2,0,0]=4 4783 B10R0.3 CC(=O)NCCN(C)CCO 2230a_100000210263_100000189650 [0,2,0,0,0,0|2,0,0]=4 4784 B10R0.3 CC(=O)NCCN(C)CCO 269982a_100000210263_100000189650 [0,2,0,0,0,0|2,0,0]=4 4785 B10R0.3 CC(=O)OCCC(=O)CC#N 1458a_100051588842_100009814007 [0,2,0,0,0,0|1,0,1]=4 4786 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,2,0,0,0,0|1,0,1]=4 4787 B10R0.3 CC(=O)OCCN(C)CCO 269982a_100000210263_100009814007 [0,2,0,0,0,0|1,0,0]=3 4788 B10R0.3 CC(=O)OCN[C@H](C)CCO 34a_100000706166_100009813279 [0,2,0,0,0,0|1,0,0]=3 4789 B10R0.3 CC(=O)OCOC(C)CCBr 34a_100012276601_100009813279 [0,2,0,0,0,0|1,0,0]=3 4790 B10R0.3 CC(=O)OCSC(C)CC#N 62a_100000076356_100009813641 [0,2,0,0,0,0|1,0,0]=3 4791 B10R0.3 CC(=O)OCSC(C)CC#N 62a_100009813641_100000076356 [0,2,0,0,0,0|1,0,0]=3 4792 B10R0.3 CC(=O)OCSC(C)CCO 62a_100000076356_100009893172 [0,2,0,0,0,0|1,0,0]=3 4793 B10R0.3 CC(=O)OCSC(C)CCO 62a_100009893172_100000076356 [0,2,0,0,0,0|1,0,0]=3 4794 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [0,2,0,0,0,0|1,0,1]=4 4795 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [0,2,0,0,0,0|1,0,1]=4 4796 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [0,2,0,0,0,0|1,0,1]=4 4797 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100011216857_100011214920 [0,2,0,0,0,0|1,0,0]=3 4798 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100051588842_100011214892 [0,2,0,0,0,0|1,0,0]=3 4799 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,2,0,0,0,0|1,0,0]=3 4800 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,2,0,0,0,0|1,0,0]=3 4801 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,2,0,0,0,0|1,0,0]=3 4802 B10R0.3 CC(C)CCNC(=O)C=CBr 1626a_100000210545_100016273825 [0,2,0,0,0,0|1,0,1]=4 4803 B10R0.3 CC(C)CCNC(=O)C=CBr 240690a_100000210545_100016273825 [0,2,0,0,0,0|1,0,1]=4 4804 B10R0.3 CC(C)CCNC(=O)C=CCl 11a_100000210545_200016279998 [0,2,0,0,0,0|1,0,1]=4 4805 B10R0.3 CC(C)CCNC(=O)C=CCl 1626a_100000210545_200016279998 [0,2,0,0,0,0|1,0,1]=4 4806 B10R0.3 CC(C)CCNC(=O)C=CCl 240690a_100000210545_200016279998 [0,2,0,0,0,0|1,0,1]=4 4807 B10R0.3 CC(C)CCNC(=O)C=CI 1626a_100000210545_100016256311 [0,2,0,0,0,0|1,0,1]=4 4808 B10R0.3 CC(C)CCNC(=O)CC#N 1626a_100000210545_100051588842 [0,2,0,0,0,0|1,0,0]=3 4809 B10R0.3 CC(C)CCNC(=O)CC#N 240690a_100000210545_100051588842 [0,2,0,0,0,0|1,0,0]=3 4810 B10R0.3 CC(C)CCNC(=O)CCO 240690a_100000210545_100011216618 [0,2,0,0,0,0|1,0,0]=3 4811 B10R0.3 CC(C)CCOC(C)CC#N 7a_100000210254_100009813641 [0,2,0,0,0,0|1,0,1]=4 4812 B10R0.3 CC(C)CCOC(C)CCBr 34a_100012276601_100000210312 [0,2,0,0,0,0|1,0,1]=4 4813 B10R0.3 CC(C)CCOC(C)CCO 34a_100000210254_100009893172 [0,2,0,0,0,0|0,0,2]=4 4814 B10R0.3 CC(C)CCOC(C)CCO 7a_100000210254_100009893172 [0,2,0,0,0,0|0,0,2]=4 4815 B10R0.3 CC(C)CNCC(=O)NCO 2230a_100000210953_100000185155 [0,2,0,0,0,0|2,0,0]=4 4816 B10R0.3 CC(C)CNCC(=O)NCO 34a_100000210953_100000185155 [0,2,0,0,0,0|2,0,0]=4 4817 B10R0.3 CC(C)CNNC(=O)CC#N 22a_100000696102_100051588842 [0,2,0,0,0,0|2,0,0]=4 4818 B10R0.3 CC(C)CNNC(=O)CCO 22a_100000696102_100011216618 [0,2,0,0,0,0|2,0,0]=4 4819 B10R0.3 CC(C)COCC(=O)CC#N 1458a_100011223364_100011214920 [0,2,0,0,0,0|2,0,0]=4 4820 B10R0.3 CC(C)COCC(=O)CCF 1458a_100011223364_100011217306 [0,2,0,0,0,0|2,0,0]=4 4821 B10R0.3 CC(C)COCC(=O)CCO 1458a_100011223364_100000211926 [0,2,0,0,0,0|2,0,0]=4 4822 B10R0.3 CC(C)COCC(=O)NCO 34a_100000210257_100000185155 [0,2,0,0,0,0|2,0,0]=4 4823 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000185155_100000210760 [0,2,0,0,0,0|2,0,0]=4 4824 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000210624_100000185155 [0,2,0,0,0,0|2,0,0]=4 4825 B10R0.3 CC(C)OCCC(=O)CC#N 1458a_100051588842_100000211751 [0,2,0,0,0,0|2,0,0]=4 4826 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [0,2,0,0,0,0|2,0,0]=4 4827 B10R0.3 CC(C)SCCC(=O)CC#N 1458a_100051588842_100000730970 [0,2,0,0,0,0|2,0,0]=4 4828 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [0,2,0,0,0,0|2,0,0]=4 4829 B10R0.3 CC(CCCC(=O)[O-])OCF 7a_100000761597_100015361967 [0,2,0,0,0,0|2,0,0]=4 4830 B10R0.3 CC(O)CCCC(=O)CC#N 1458a_100051588842_200000718107 [0,2,0,0,0,0|2,0,0]=4 4831 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,2,0,0,0,0|2,0,0]=4 4832 B10R0.3 CC(O)CCNC(=O)CC#N 240690a_200000755665_100051588842 [0,2,0,0,0,0|2,0,0]=4 4833 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,2,0,0,0,0|2,0,0]=4 4834 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,2,0,0,0,0|1,0,0]=3 4835 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,2,0,0,0,0|2,0,0]=4 4836 B10R0.3 CC=CC(=O)CCCN(C)C 1458a_100000210699_100000695564 [0,2,0,0,0,0|2,0,0]=4 4837 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,2,0,0,0,0|1,0,1]=4 4838 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [0,2,0,0,0,0|2,0,0]=4 4839 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [0,2,0,0,0,0|2,0,0]=4 4840 B10R0.3 CC=CC(=O)NCCC(C)C 11a_100000210545_100000210699 [0,2,0,0,0,0|1,0,0]=3 4841 B10R0.3 CC=CC(=O)NCCC(C)C 1626a_100000210545_100000210699 [0,2,0,0,0,0|1,0,0]=3 4842 B10R0.3 CC=CC(=O)NCCC(C)C 240690a_100000210545_100000210699 [0,2,0,0,0,0|1,0,0]=3 4843 B10R0.3 CC=CC(=O)NCCC(C)O 240690a_200000755665_100000210699 [0,2,0,0,0,0|2,0,0]=4 4844 B10R0.3 CC=CC(=O)NCCN(C)C 240690a_100000210585_100000210699 [0,2,0,0,0,0|2,0,0]=4 4845 B10R0.3 CC=CC(=O)NNCC(C)C 22a_100000696102_100000210699 [0,2,0,0,0,0|2,0,0]=4 4846 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,2,0,0,0,0|1,0,0]=3 4847 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,2,0,0,0,0|1,0,0]=3 4848 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,2,0,0,0,0|2,0,0]=4 4849 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,2,0,0,0,0|2,0,0]=4 4850 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,2,0,0,0,0|1,0,1]=4 4851 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,2,0,0,0,0|2,0,0]=4 4852 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,2,0,0,0,0|2,0,0]=4 4853 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,2,0,0,0,0|2,0,0]=4 4854 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,2,0,0,0,0|2,0,0]=4 4855 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,2,0,0,0,0|2,0,0]=4 4856 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,2,0,0,0,0|2,0,0]=4 4857 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,2,0,0,0,0|1,0,0]=3 4858 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,2,0,0,0,0|1,0,0]=3 4859 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,2,0,0,0,0|1,0,0]=3 4860 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,2,0,0,0,0|1,0,0]=3 4861 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,2,0,0,0,0|2,0,0]=4 4862 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,2,0,0,0,0|2,0,0]=4 4863 B10R0.3 CCCC(=O)NCCN(C)C 240690a_100000210585_100000211992 [0,2,0,0,0,0|2,0,0]=4 4864 B10R0.3 CCCC(=O)NCCN(C)C 527a_100000210585_100000211992 [0,2,0,0,0,0|2,0,0]=4 4865 B10R0.3 CCCC(=O)NNCC(C)C 22a_100000696102_100000211992 [0,2,0,0,0,0|2,0,0]=4 4866 B10R0.3 CCCC(=O)OCNC(C)C 2230a_100138425928_100000034017 [0,2,0,0,0,0|1,0,0]=3 4867 B10R0.3 CCCC(=O)OCNC(C)C 34a_100138425928_100000034017 [0,2,0,0,0,0|1,0,0]=3 4868 B10R0.3 CCCC(=O)OCOC(C)C 34a_100000212225_100000034017 [0,2,0,0,0,0|1,0,0]=3 4869 B10R0.3 CCCC(=O)OCSC(C)C 62a_100000210206_100000034017 [0,2,0,0,0,0|1,0,0]=3 4870 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [0,2,0,0,0,0|1,0,1]=4 4871 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [0,2,0,0,0,0|1,0,1]=4 4872 B10R0.3 CCCC(C)COCC(=O)C 34a_100000211253_100011216630 [0,2,0,0,0,0|2,0,0]=4 4873 B10R0.3 CCCC(C)OCCC(=O)C 34a_100000759926_100000766640 [0,2,0,0,0,0|2,0,0]=4 4874 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000759926_100000766640 [0,2,0,0,0,0|2,0,0]=4 4875 B10R0.3 CCCC(C)OCCC(=O)C 7a_100000764384_100000053229 [0,2,0,0,0,0|2,0,0]=4 4876 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [0,2,0,0,0,0|1,0,1]=4 4877 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [0,2,0,0,0,0|1,0,1]=4 4878 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [0,2,0,0,0,0|1,0,1]=4 4879 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [0,2,0,0,0,0|1,0,1]=4 4880 B10R0.3 CCCC(C)OCOC(=O)C 34a_100000764384_100009813279 [0,2,0,0,0,0|1,0,0]=3 4881 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000053229_100000766640 [0,2,0,0,0,0|2,0,0]=4 4882 B10R0.3 CCCC(C)SCCC(=O)C 62a_100000766640_100000053229 [0,2,0,0,0,0|2,0,0]=4 4883 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000076356_100000766640 [0,2,0,0,0,0|1,0,0]=3 4884 B10R0.3 CCCC(C)SCOC(=O)C 62a_100000766640_100000076356 [0,2,0,0,0,0|1,0,0]=3 4885 B10R0.3 CCCN(C)CCCC(=O)C 269982a_100000747261_100011215641 [0,2,0,0,0,0|2,0,0]=4 4886 B10R0.3 CCCN(C)CCNC(=O)C 2230a_100000747261_100000189650 [0,2,0,0,0,0|2,0,0]=4 4887 B10R0.3 CCCN(C)CCNC(=O)C 269982a_100000747261_100000189650 [0,2,0,0,0,0|2,0,0]=4 4888 B10R0.3 CCCN(C)CCOC(=O)C 269982a_100000747261_100009814007 [0,2,0,0,0,0|1,0,0]=3 4889 B10R0.3 CCCN(C)CCOC(=O)N 269982a_100000747261_200011214921 [0,2,0,0,0,0|2,0,0]=4 4890 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,2,0,0,0,0|1,0,0]=3 4891 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,2,0,0,0,0|1,0,0]=3 4892 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,2,0,0,0,0|1,0,0]=3 4893 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,2,0,0,0,0|2,0,0]=4 4894 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [0,2,0,0,0,0|2,0,0]=4 4895 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [0,2,0,0,0,0|2,0,0]=4 4896 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [0,2,0,0,0,0|2,0,0]=4 4897 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [0,2,0,0,0,0|2,0,0]=4 4898 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [0,2,0,0,0,0|2,0,0]=4 4899 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [0,2,0,0,0,0|2,0,0]=4 4900 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [0,2,0,0,0,0|2,0,0]=4 4901 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [0,2,0,0,0,0|2,0,0]=4 4902 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [0,2,0,0,0,0|2,0,0]=4 4903 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [0,2,0,0,0,0|2,0,0]=4 4904 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [0,2,0,0,0,0|2,0,0]=4 4905 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [0,2,0,0,0,0|2,0,0]=4 4906 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [0,2,0,0,0,0|2,0,0]=4 4907 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [0,2,0,0,0,0|2,0,0]=4 4908 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [0,2,0,0,0,0|2,0,0]=4 4909 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [0,2,0,0,0,0|2,0,0]=4 4910 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [0,2,0,0,0,0|1,0,0]=3 4911 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [0,2,0,0,0,0|1,0,0]=3 4912 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [0,2,0,0,0,0|1,0,0]=3 4913 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [0,2,0,0,0,0|1,0,0]=3 4914 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [0,2,0,0,0,0|1,0,0]=3 4915 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [0,2,0,0,0,0|1,0,0]=3 4916 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,2,0,0,0,0|2,0,0]=4 4917 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,2,0,0,0,0|2,0,0]=4 4918 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,2,0,0,0,0|2,0,0]=4 4919 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,2,0,0,0,0|2,0,0]=4 4920 B10R0.3 CCNC(=O)NCCN(C)C 2708a_100015525214_100000210585 [0,2,0,0,0,0|2,0,0]=4 4921 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100000210585_100015525214 [0,2,0,0,0,0|2,0,0]=4 4922 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100015525214_100000210585 [0,2,0,0,0,0|2,0,0]=4 4923 B10R0.3 CCNC(=O)NCCN(C)C 512a_100015525214_100000210585 [0,2,0,0,0,0|2,0,0]=4 4924 B10R0.3 CCNC(=O)NNCC(C)C 273464a_100015525214_100000696102 [0,2,0,0,0,0|2,0,0]=4 4925 B10R0.3 CCNC(=O)NNCC(C)C 512a_100000696102_100015525214 [0,2,0,0,0,0|2,0,0]=4 4926 B10R0.3 CCNC(=O)NNCC(C)C 512a_100015525214_100000696102 [0,2,0,0,0,0|2,0,0]=4 4927 B10R0.3 CCNC(C)CCC=C(C)C 270004a_100015525214_100000765506 [0,2,0,0,0,0|2,0,0]=4 4928 B10R0.3 CCNC(C)CCOC(C)C 270004a_100015525214_200011219172 [0,2,0,0,0,0|1,0,1]=4 4929 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,2,0,0,0,0|2,0,0]=4 4930 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,2,0,0,0,0|2,0,0]=4 4931 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,2,0,0,0,0|2,0,0]=4 4932 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,2,0,0,0,0|2,0,0]=4 4933 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,2,0,0,0,0|2,0,0]=4 4934 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,2,0,0,0,0|2,0,0]=4 4935 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,2,0,0,0,0|2,0,0]=4 4936 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,2,0,0,0,0|2,0,0]=4 4937 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,2,0,0,0,0|2,0,0]=4 4938 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,2,0,0,0,0|2,0,0]=4 4939 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,2,0,0,0,0|2,0,0]=4 4940 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,2,0,0,0,0|2,0,0]=4 4941 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,2,0,0,0,0|2,0,0]=4 4942 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [0,2,0,0,0,0|1,0,0]=3 4943 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [0,2,0,0,0,0|2,0,0]=4 4944 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [0,2,0,0,0,0|2,0,0]=4 4945 B10R0.3 CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210202 [0,2,0,0,0,0|2,0,0]=4 4946 B10R0.3 CN(C)CCCC(=O)CC#N 1458a_100051588842_100000695564 [0,2,0,0,0,0|2,0,0]=4 4947 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [0,2,0,0,0,0|2,0,0]=4 4948 B10R0.3 CN(C)CCNC(=O)CC#N 240690a_100000210585_100051588842 [0,2,0,0,0,0|2,0,0]=4 4949 B10R0.3 CN(C)CCNC(=O)CCO 240690a_100000210585_100011216618 [0,2,0,0,0,0|2,0,0]=4 4950 B10R0.3 CN(CCO)CCOC(=O)N 269982a_100000210263_200011214921 [0,2,0,0,0,0|2,0,0]=4 4951 B10R0.3 CNCC(C)CCC=C(C)C 270004a_106832991635_100000033009 [0,2,0,0,0,0|2,0,0]=4 4952 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [0,2,0,0,0,0|1,0,0]=3 4953 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,2,0,0,0,0|2,0,0]=4 4954 B10R0.3 CNNC(=O)CCCN(C)C 22a_100016993582_100000740757 [0,2,0,0,0,0|2,0,0]=4 4955 B10R0.3 CNNC(=O)COCC(C)C 22a_100016993582_100011223364 [0,2,0,0,0,0|2,0,0]=4 4956 B10R0.3 CNNC(=O)NCCC(C)C 273464a_100000210545_100016993582 [0,2,0,0,0,0|1,0,0]=3 4957 B10R0.3 CNNC(=O)NCCC(C)C 512a_100000210545_100016993582 [0,2,0,0,0,0|1,0,0]=3 4958 B10R0.3 CNNC(=O)NCCC(C)C 512a_100016993582_100000210545 [0,2,0,0,0,0|1,0,0]=3 4959 B10R0.3 CNNC(=O)NCCC(C)O 273464a_200000755665_100016993582 [0,2,0,0,0,0|2,0,0]=4 4960 B10R0.3 CNNC(=O)NCCC(C)O 512a_100016993582_200000755665 [0,2,0,0,0,0|2,0,0]=4 4961 B10R0.3 CNNC(=O)NCCC(C)O 512a_200000755665_100016993582 [0,2,0,0,0,0|2,0,0]=4 4962 B10R0.3 CNNC(=O)NCCN(C)C 273464a_100000210585_100016993582 [0,2,0,0,0,0|2,0,0]=4 4963 B10R0.3 CNNC(=O)NCCN(C)C 512a_100016993582_100000210585 [0,2,0,0,0,0|2,0,0]=4 4964 B10R0.3 CNNC(=O)NNCC(C)C 512a_100000696102_100016993582 [0,2,0,0,0,0|2,0,0]=4 4965 B10R0.3 CNNC(=O)NNCC(C)C 512a_100016993582_100000696102 [0,2,0,0,0,0|2,0,0]=4 4966 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,2,0,0,0,0|1,0,0]=3 4967 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,2,0,0,0,0|2,0,0]=4 4968 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [0,2,0,0,0,0|2,0,0]=4 4969 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,2,0,0,0,0|1,0,1]=4 4970 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [0,2,0,0,0,0|2,0,0]=4 4971 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [0,2,0,0,0,0|2,0,0]=4 4972 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [0,2,0,0,0,0|1,0,0]=3 4973 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [0,2,0,0,0,0|1,0,0]=3 4974 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [0,2,0,0,0,0|1,0,0]=3 4975 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [0,2,0,0,0,0|1,0,0]=3 4976 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,2,0,0,0,0|2,0,0]=4 4977 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,2,0,0,0,0|2,0,0]=4 4978 B10R0.3 COCC(=O)NCCN(C)C 240690a_100000210585_100000210968 [0,2,0,0,0,0|2,0,0]=4 4979 B10R0.3 COCC(=O)NCCN(C)C 527a_100000210585_100000210968 [0,2,0,0,0,0|2,0,0]=4 4980 B10R0.3 COCC(=O)NNCC(C)C 22a_100000696102_100000210968 [0,2,0,0,0,0|2,0,0]=4 4981 B10R0.3 COCC(C)OCCC(=O)C 34a_100000759926_100000765312 [0,2,0,0,0,0|2,0,0]=4 4982 B10R0.3 COCC(C)OCCC(=O)C 7a_100000759926_100000765312 [0,2,0,0,0,0|2,0,0]=4 4983 B10R0.3 COCC(C)OCCC(C)C 34a_100000210254_100000765312 [0,2,0,0,0,0|0,0,2]=4 4984 B10R0.3 COCC(C)OCCC(C)C 7a_100000210254_100000765312 [0,2,0,0,0,0|0,0,2]=4 4985 B10R0.3 COCC(C)SCCC(=O)C 62a_100000053229_100000765312 [0,2,0,0,0,0|2,0,0]=4 4986 B10R0.3 COCC(C)SCCC(=O)C 62a_100000765312_100000053229 [0,2,0,0,0,0|2,0,0]=4 4987 B10R0.3 COCC(C)SCOC(=O)C 62a_100000076356_100000765312 [0,2,0,0,0,0|1,0,0]=3 4988 B10R0.3 COCC(C)SCOC(=O)C 62a_100000765312_100000076356 [0,2,0,0,0,0|1,0,0]=3 4989 B10R0.3 COC[C@@H](C)OCCC(C)C 34a_100011934205_100000210312 [0,2,0,0,0,0|0,0,2]=4 4990 B10R0.3 COC[C@@H](C)OCOC(=O)C 34a_100011934205_100009813279 [0,2,0,0,0,0|1,0,0]=3 4991 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,2,0,0,0,0|1,0,0]=3 4992 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,2,0,0,0,0|2,0,0]=4 4993 B10R0.3 CSCC(=O)CCCN(C)C 1458a_100000184570_100000695564 [0,2,0,0,0,0|2,0,0]=4 4994 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,2,0,0,0,0|1,0,1]=4 4995 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [0,2,0,0,0,0|2,0,0]=4 4996 B10R0.3 CSCC(=O)CCSC(C)C 1458a_100000184570_100000730970 [0,2,0,0,0,0|2,0,0]=4 4997 B10R0.3 CSCC(=O)NCCC(C)C 11a_100000210545_100000184570 [0,2,0,0,0,0|1,0,0]=3 4998 B10R0.3 CSCC(=O)NCCC(C)C 1626a_100000210545_100000184570 [0,2,0,0,0,0|1,0,0]=3 4999 B10R0.3 CSCC(=O)NCCC(C)C 240690a_100000210545_100000184570 [0,2,0,0,0,0|1,0,0]=3 5000 B10R0.3 CSCC(=O)NCCC(C)C 527a_100000210545_100000184570 [0,2,0,0,0,0|1,0,0]=3 5001 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [0,2,0,0,0,0|2,0,0]=4 5002 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [0,2,0,0,0,0|2,0,0]=4 5003 B10R0.3 CSCC(=O)NCCN(C)C 240690a_100000210585_100000184570 [0,2,0,0,0,0|2,0,0]=4 5004 B10R0.3 CSCC(=O)NCCN(C)C 527a_100000210585_100000184570 [0,2,0,0,0,0|2,0,0]=4 5005 B10R0.3 CSCC(=O)NNCC(C)C 22a_100000696102_100000184570 [0,2,0,0,0,0|2,0,0]=4 5006 B10R0.44 C#CC(C)OC(C)CC(C)C 34a_100000211805_200000035995 [0,2,0,0,0,0|1,0,1]=4 5007 B10R0.44 C#CC(C)SC(C)OC(=O)C 62a_200000035995_100009818208 [0,2,0,0,0,0|1,0,1]=4 5008 B10R0.44 C#C[C@@H](C)OC(C)CC(C)C 34a_100009815206_100000731052 [0,2,0,0,0,0|1,0,1]=4 5009 B10R0.44 C#C[C@@H](C)OC(C)CC(C)C 7a_100009815206_100000731052 [0,2,0,0,0,0|1,0,1]=4 5010 B10R0.44 C=CC(=O)NC(C)CC(C)C 1626a_100000692259_100000185746 [0,2,0,0,0,0|1,0,1]=4 5011 B10R0.44 C=CC(=O)NC(C)CC(C)C 240690a_100000692259_200121576911 [0,2,0,0,0,0|1,0,1]=4 5012 B10R0.44 C=CC(C)OC(C)CC(C)C 34a_100000695699_100000731052 [0,2,0,0,0,0|1,0,1]=4 5013 B10R0.44 C=CC(C)SC(C)OC(=O)C 62a_100011215867_100009818208 [0,2,0,0,0,0|1,0,1]=4 5014 B10R0.44 CC(=O)OC(C)SC(C)C#N 62a_100000703298_100009818208 [0,2,0,0,0,0|1,0,1]=4 5015 B10R0.44 CC(=O)OC(C)SC(C)C#N 62a_100009818208_100000703298 [0,2,0,0,0,0|1,0,1]=4 5016 B10R0.44 CC(=O)OC(C)SC(C)CO 62a_100012180447_100009818208 [0,2,0,0,0,0|1,0,0]=3 5017 B10R0.44 CC(=O)OC(C)S[C@H](C)CO 62a_100009818208_100016084084 [0,2,0,0,0,0|1,0,0]=3 5018 B10R0.44 CC(=O)OC(C)S[C@H](C)CO 62a_100016084084_100009818208 [0,2,0,0,0,0|1,0,0]=3 5019 B10R0.44 CC(C)CC(C)NC(=O)CO 240690a_100000692259_100000210174 [0,2,0,0,0,0|1,0,0]=3 5020 B10R0.44 CC(C)CC(C)NC(=O)CO 527a_100000692259_100000210174 [0,2,0,0,0,0|1,0,0]=3 5021 B10R0.44 CC(C)CC(C)OC(C)C#N 34a_100011218135_100000731052 [0,2,0,0,0,0|1,0,1]=4 5022 B10R0.44 CC(C)CC(C)OC(C)C#N 7a_100000211805_100000703298 [0,2,0,0,0,0|1,0,1]=4 5023 B10R0.44 CC(C)CC(C)OC(C)CF 34a_100016041109_100000731052 [0,2,0,0,0,0|1,0,1]=4 5024 B10R0.44 CC(C)CC(C)OC(C)CF 7a_100016041109_100000731052 [0,2,0,0,0,0|1,0,1]=4 5025 B10R0.44 CC(C)CC(C)OC(C)CN 34a_100000210904_100000731052 [0,2,0,0,0,0|1,0,1]=4 5026 B10R0.44 CC(C)CC(C)OC(C)CO 34a_100000211805_100012180447 [0,2,0,0,0,0|0,0,2]=4 5027 B10R0.44 CC(C)CC(C)OC(C)CO 7a_100000211805_100012180447 [0,2,0,0,0,0|0,0,2]=4 5028 B10R0.44 CC(CN(C)C)NC(=O)CO 240690a_100016992788_100000210174 [0,2,0,0,0,0|2,0,0]=4 5029 B10R0.44 CC(CN(C)C)NC(=O)CO 527a_100016992788_100000210174 [0,2,0,0,0,0|2,0,0]=4 5030 B10R0.44 CCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747405 [0,2,0,0,0,0|1,0,1]=4 5031 B10R0.44 CCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747405 [0,2,0,0,0,0|2,0,0]=4 5032 B10R0.44 CCC(=O)NC(C)CC(C)C 11a_100000692259_100000210414 [0,2,0,0,0,0|1,0,0]=3 5033 B10R0.44 CCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210414 [0,2,0,0,0,0|1,0,0]=3 5034 B10R0.44 CCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210414 [0,2,0,0,0,0|1,0,0]=3 5035 B10R0.44 CCC(=O)NC(C)CC(C)C 527a_100000692259_100000210414 [0,2,0,0,0,0|1,0,0]=3 5036 B10R0.44 CCC(=O)NC(C)CN(C)C 11a_100016992788_100000210414 [0,2,0,0,0,0|2,0,0]=4 5037 B10R0.44 CCC(=O)NC(C)CN(C)C 240690a_100016992788_100000210414 [0,2,0,0,0,0|2,0,0]=4 5038 B10R0.44 CCC(=O)NC(C)CN(C)C 527a_100016992788_100000210414 [0,2,0,0,0,0|2,0,0]=4 5039 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [0,2,0,0,0,0|1,0,0]=3 5040 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [0,2,0,0,0,0|1,0,0]=3 5041 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [0,2,0,0,0,0|1,0,0]=3 5042 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [0,2,0,0,0,0|1,0,0]=3 5043 B10R0.44 CCC(C)OC(C)CC(C)C 34a_100000211805_100011215416 [0,2,0,0,0,0|1,0,1]=4 5044 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000210228_100000731052 [0,2,0,0,0,0|1,0,1]=4 5045 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000211805_100000758301 [0,2,0,0,0,0|1,0,1]=4 5046 B10R0.44 CCC(C)SC(C)OC(=O)C 62a_100000758301_100009818208 [0,2,0,0,0,0|1,0,0]=3 5047 B10R0.44 CCC(C)SC(C)OC(=O)C 62a_100009818208_100000758301 [0,2,0,0,0,0|1,0,0]=3 5048 B10R0.44 CNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183359 [0,2,0,0,0,0|1,0,1]=4 5049 B10R0.44 CNC(=O)CN(C)CC(C)C 2230a_100000189611_100000210760 [0,2,0,0,0,0|2,0,0]=4 5050 B10R0.44 CNC(=O)CN(C)CC(C)C 2230a_100000747067_100000183359 [0,2,0,0,0,0|2,0,0]=4 5051 B10R0.44 CNC(=O)CN(C)CC(C)C 269982a_100000747067_100000183359 [0,2,0,0,0,0|2,0,0]=4 5052 B10R0.44 CNC(=O)CN(C)CC(C)C 270004a_100000189611_100000210432 [0,2,0,0,0,0|2,0,0]=4 5053 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100000692259_106832991635 [0,2,0,0,0,0|1,0,0]=3 5054 B10R0.44 CNC(=O)NC(C)CC(C)C 2708a_100102657272_100000692259 [0,2,0,0,0,0|1,0,0]=3 5055 B10R0.44 CNC(=O)NC(C)CC(C)C 273464a_100000692259_100102657272 [0,2,0,0,0,0|1,0,0]=3 5056 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_100000692259_100102657272 [0,2,0,0,0,0|1,0,0]=3 5057 B10R0.44 CNC(=O)NC(C)CC(C)C 512a_106832991638_100000692259 [0,2,0,0,0,0|1,0,0]=3 5058 B10R0.44 CNC(=O)NC(C)CN(C)C 2708a_100102657272_100016992788 [0,2,0,0,0,0|2,0,0]=4 5059 B10R0.44 CNC(=O)NC(C)CN(C)C 273464a_100016992788_100102657272 [0,2,0,0,0,0|2,0,0]=4 5060 B10R0.44 CNC(=O)NC(C)CN(C)C 273464a_100102657272_100016992788 [0,2,0,0,0,0|2,0,0]=4 5061 B10R0.44 CNC(=O)NC(C)CN(C)C 512a_100016992788_100102657272 [0,2,0,0,0,0|2,0,0]=4 5062 B10R0.44 CNC(=O)NC(C)CN(C)C 512a_106832991638_100016992788 [0,2,0,0,0,0|2,0,0]=4 5063 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747449 [0,2,0,0,0,0|1,0,1]=4 5064 B10R0.44 COC(=O)CC(=O)CC(C)C 1458a_100000211351_100000210624 [0,2,0,0,0,0|1,0,1]=4 5065 B10R0.44 COC(=O)CC(C)NC(C)C 2230a_100138425928_100009817358 [0,2,0,0,0,0|2,0,0]=4 5066 B10R0.44 COC(=O)CC(C)NC(C)C 34a_100138425928_100009817358 [0,2,0,0,0,0|2,0,0]=4 5067 B10R0.44 COC(=O)CC(C)OC(C)C 34a_100000212225_100009817358 [0,2,0,0,0,0|2,0,0]=4 5068 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100000210206_100009817358 [0,2,0,0,0,0|2,0,0]=4 5069 B10R0.44 COC(=O)CC(C)SC(C)C 62a_100009817358_100000210206 [0,2,0,0,0,0|2,0,0]=4 5070 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000198492_100000210760 [0,2,0,0,0,0|2,0,0]=4 5071 B10R0.44 COC(=O)CN(C)CC(C)C 2230a_100000747067_100000747449 [0,2,0,0,0,0|2,0,0]=4 5072 B10R0.44 COC(=O)CN(C)CC(C)C 269982a_100000747067_100000747449 [0,2,0,0,0,0|2,0,0]=4 5073 B10R0.44 COC(=O)CN(C)CC(C)C 270004a_100000198492_100000210432 [0,2,0,0,0,0|2,0,0]=4 5074 B10R0.44 COC(C)SC(C)OC(=O)C 62a_100009818208_100009879195 [0,2,0,0,0,0|1,0,0]=3 5075 B10R0.44 COC(C)SC(C)OC(=O)C 62a_100009879195_100009818208 [0,2,0,0,0,0|1,0,0]=3 5076 B10R0.57 C#CC(=O)C(C)CCC(C)C 1458a_100000211873_100011261404 [0,2,0,0,0,0|1,0,1]=4 5077 B10R0.57 C#CC(C)C(=O)COC(=O)C 1458a_100000183556_200000035995 [0,2,0,0,0,0|0,0,2]=4 5078 B10R0.57 C/C=C(\C)/C(=O)CCC(C)C 1458a_100020587367_100000210312 [0,2,0,0,0,0|2,0,0]=4 5079 B10R0.57 C=C(CNC(C)C)C(=O)OC 34a_100138425928_100009813391 [0,2,0,0,0,0|2,0,0]=4 5080 B10R0.57 C=C(COC(C)C)C(=O)OC 34a_100000212225_100009813391 [0,2,0,0,0,0|2,0,0]=4 5081 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100000210206_100009813391 [0,2,0,0,0,0|2,0,0]=4 5082 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100009813391_100000210206 [0,2,0,0,0,0|2,0,0]=4 5083 B10R0.57 C=CC(=O)C(C)CCC(C)C 1458a_100000185746_100011261404 [0,2,0,0,0,0|1,0,1]=4 5084 B10R0.57 C=CC(=O)N(C)CCC(C)C 1626a_100000742789_100000185746 [0,2,0,0,0,0|1,0,1]=4 5085 B10R0.57 C=CC(=O)N(C)CCC(C)C 240690a_100000742789_200121576911 [0,2,0,0,0,0|1,0,1]=4 5086 B10R0.57 CC(=O)CCN(C)C(C)CO 269982a_100000693034_100000053229 [0,2,0,0,0,0|2,0,0]=4 5087 B10R0.57 CC(=O)OCC(=O)C(C)C#N 1458a_100000183556_100000703298 [0,2,0,0,0,0|0,0,2]=4 5088 B10R0.57 CC(=O)OCN(C)C(C)CO 269982a_100000693034_100000076356 [0,2,0,0,0,0|1,0,0]=3 5089 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,2,0,0,0,0|1,0,0]=3 5090 B10R0.57 CC(C)CCN(C)C(=O)CO 240690a_100000742789_100000210174 [0,2,0,0,0,0|1,0,0]=3 5091 B10R0.57 CC(C)CCN(C)C(=O)CO 527a_100000742789_100000210174 [0,2,0,0,0,0|1,0,0]=3 5092 B10R0.57 CC(C)CNC(=O)C(=O)CF 1458a_200011297155_100015361967 [0,2,0,0,0,0|2,0,0]=4 5093 B10R0.57 CCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210202 [0,2,0,0,0,0|2,0,0]=4 5094 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [0,2,0,0,0,0|1,0,0]=3 5095 B10R0.57 CCC(=O)C(C)NCC(C)C 2230a_100000210953_100000742827 [0,2,0,0,0,0|2,0,0]=4 5096 B10R0.57 CCC(=O)C(C)SCC(C)C 62a_100000210624_100000742827 [0,2,0,0,0,0|2,0,0]=4 5097 B10R0.57 CCC(=O)C(C)SCC(C)C 62a_100000742827_100000210760 [0,2,0,0,0,0|2,0,0]=4 5098 B10R0.57 CCC(=O)N(C)CCC(C)C 11a_100000742789_100000210414 [0,2,0,0,0,0|1,0,0]=3 5099 B10R0.57 CCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210414 [0,2,0,0,0,0|1,0,0]=3 5100 B10R0.57 CCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210414 [0,2,0,0,0,0|1,0,0]=3 5101 B10R0.57 CCC(=O)N(C)CCC(C)C 527a_100000742789_100000210414 [0,2,0,0,0,0|1,0,0]=3 5102 B10R0.57 CCC(=O)N(C)CCN(C)C 240690a_100000225618_100000210414 [0,2,0,0,0,0|2,0,0]=4 5103 B10R0.57 CCC(=O)N(C)CCN(C)C 527a_100000225618_100000210414 [0,2,0,0,0,0|2,0,0]=4 5104 B10R0.57 CCC(C)C(=O)CNC(=O)C 1458a_100000194580_100000758301 [0,2,0,0,0,0|1,0,1]=4 5105 B10R0.57 CCC(C)C(=O)COC(=O)C 1458a_100000183556_100000758301 [0,2,0,0,0,0|0,0,1]=3 5106 B10R0.57 CCC(C)C(=O)CSC(=O)C 1458a_100000049016_100000758301 [0,2,0,0,0,0|0,1,1]=4 5107 B10R0.57 CCC(C)N(C)CCC(=O)C 269982a_100000741768_100000053229 [0,2,0,0,0,0|2,0,0]=4 5108 B10R0.57 CCC(C)N(C)COC(=O)C 269982a_100000741768_100000076356 [0,2,0,0,0,0|1,0,0]=3 5109 B10R0.57 CCN(C)C(=O)COC(=O)C 1626a_100000225621_100000183556 [0,2,0,0,0,0|1,0,1]=4 5110 B10R0.57 CCN(C)C(=O)COC(=O)C 240690a_100000225621_100000183556 [0,2,0,0,0,0|1,0,1]=4 5111 B10R0.57 CCN(C)C(=O)COC(=O)C 527a_100000225621_100000183556 [0,2,0,0,0,0|1,0,1]=4 5112 B10R0.57 CN(C)CCN(C)C(=O)CO 240690a_100000225618_100000210174 [0,2,0,0,0,0|2,0,0]=4 5113 B10R0.57 CN(C)CCN(C)C(=O)CO 527a_100000225618_100000210174 [0,2,0,0,0,0|2,0,0]=4 5114 B10R0.57 CNC(=O)C(=O)CCC(C)C 1458a_100011218921_100000210312 [0,2,0,0,0,0|1,0,0]=3 5115 B10R0.57 CNC(=O)C(=O)CCC(C)O 1458a_100011218921_100012276601 [0,2,0,0,0,0|2,0,0]=4 5116 B10R0.57 CNC(=O)C(=O)NCC(C)C 1626a_100000210953_100011218921 [0,2,0,0,0,0|2,0,0]=4 5117 B10R0.57 CNC(=O)C(=O)NCC(C)C 1626a_100102657272_200011297155 [0,2,0,0,0,0|2,0,0]=4 5118 B10R0.57 CNC(=O)C(=O)NCC(C)C 240690a_100000210953_100011218921 [0,2,0,0,0,0|2,0,0]=4 5119 B10R0.57 CNC(=O)C(=O)NCC(C)C 240690a_100102657272_200011297155 [0,2,0,0,0,0|2,0,0]=4 5120 B10R0.57 CNC(=O)C(=O)NCC(C)C 527a_100000210953_100011218921 [0,2,0,0,0,0|2,0,0]=4 5121 B10R0.57 CNC(=O)C(=O)NCC(C)C 527a_100102657272_200011297155 [0,2,0,0,0,0|2,0,0]=4 5122 B10R0.57 CNC(=O)C(C)CNC(C)C 2230a_100015187722_100000210206 [0,2,0,0,0,0|2,0,0]=4 5123 B10R0.57 CNC(=O)C(C)CNC(C)C 34a_100015187722_100000210206 [0,2,0,0,0,0|2,0,0]=4 5124 B10R0.57 CNC(=O)C(C)NCC(C)C 2230a_100000210953_100000731044 [0,2,0,0,0,0|2,0,0]=4 5125 B10R0.57 CNC(=O)C(C)NCC(C)C 34a_100000210953_100000731044 [0,2,0,0,0,0|2,0,0]=4 5126 B10R0.57 CNC(=O)C(C)OCC(C)C 34a_100000210257_100000731044 [0,2,0,0,0,0|2,0,0]=4 5127 B10R0.57 CNC(=O)C(C)SCC(C)C 62a_100000209862_100000210760 [0,2,0,0,0,0|2,0,0]=4 5128 B10R0.57 CNC(=O)C(C)SCC(C)C 62a_100000210624_100000731044 [0,2,0,0,0,0|2,0,0]=4 5129 B10R0.57 CNC(=O)C(F)NCC(C)C 2230a_100000210953_100009813575 [0,2,0,0,0,0|2,0,0]=4 5130 B10R0.57 CNC(=O)C(F)NCC(C)C 34a_100000210953_100009813575 [0,2,0,0,0,0|2,0,0]=4 5131 B10R0.57 CNC(=O)C(F)OCC(C)C 34a_100000210257_100009813575 [0,2,0,0,0,0|2,0,0]=4 5132 B10R0.57 CNC(=O)C(F)SCC(C)C 62a_100000210624_100009813575 [0,2,0,0,0,0|2,0,0]=4 5133 B10R0.57 CNC(=O)C(F)SCC(C)C 62a_100009813575_100000210760 [0,2,0,0,0,0|2,0,0]=4 5134 B10R0.57 CNC(=O)N(C)CCC(C)C 2708a_100102657272_100000742789 [0,2,0,0,0,0|1,0,0]=3 5135 B10R0.57 CNC(=O)N(C)CCC(C)C 273464a_100102657272_100000742789 [0,2,0,0,0,0|1,0,0]=3 5136 B10R0.57 CNC(=O)N(C)CCN(C)C 2708a_100102657272_100000225618 [0,2,0,0,0,0|2,0,0]=4 5137 B10R0.57 CNC(=O)N(C)CCN(C)C 273464a_100102657272_100000225618 [0,2,0,0,0,0|2,0,0]=4 5138 B10R0.57 CNC(=O)[C@@H](C)NCC(C)C 2230a_100000684985_100000210760 [0,2,0,0,0,0|2,0,0]=4 5139 B10R0.57 CNC(=O)[C@@H](C)NCC(C)C 34a_100000684985_100000210624 [0,2,0,0,0,0|2,0,0]=4 5140 B10R0.57 COC(=O)C(=O)CNC(C)C 34a_100138425928_100011610305 [0,2,0,0,0,0|2,0,0]=4 5141 B10R0.57 COC(=O)C(=O)COC(C)C 34a_100000212225_100011610305 [0,2,0,0,0,0|2,0,0]=4 5142 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100000210206_100011610305 [0,2,0,0,0,0|2,0,0]=4 5143 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100011610305_100000210206 [0,2,0,0,0,0|2,0,0]=4 5144 B10R0.57 COC(=O)C(=O)NCC(C)C 11a_100000210953_100000024059 [0,2,0,0,0,0|2,0,0]=4 5145 B10R0.57 COC(=O)C(=O)NCC(C)C 1626a_100000210953_100000024059 [0,2,0,0,0,0|2,0,0]=4 5146 B10R0.57 COC(=O)C(=O)NCC(C)C 240690a_100000210953_100000024059 [0,2,0,0,0,0|2,0,0]=4 5147 B10R0.57 COC(=O)C(=O)NCC(C)C 527a_100000210953_100000024059 [0,2,0,0,0,0|2,0,0]=4 5148 B10R0.57 COC(=O)C(C)CCN(C)C 2230a_100102631434_100000034942 [0,2,0,0,0,0|2,0,0]=4 5149 B10R0.57 COC(=O)C(C)CCN(C)C 269982a_100102631434_100000034942 [0,2,0,0,0,0|2,0,0]=4 5150 B10R0.57 COC(=O)C(C)CNC(C)C 34a_100138425928_100000698445 [0,2,0,0,0,0|2,0,0]=4 5151 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000212225_100000698445 [0,2,0,0,0,0|2,0,0]=4 5152 B10R0.57 COC(=O)C(C)COC(C)C 34a_100000749362_100000210206 [0,2,0,0,0,0|2,0,0]=4 5153 B10R0.57 COC(=O)C(C)COC(C)C 7a_100000749362_100000210206 [0,2,0,0,0,0|2,0,0]=4 5154 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000210206_100000698445 [0,2,0,0,0,0|2,0,0]=4 5155 B10R0.57 COC(=O)C(C)CSC(C)C 62a_100000698445_100000210206 [0,2,0,0,0,0|2,0,0]=4 5156 B10R0.57 COC(=O)C(C)NCC(C)C 2230a_100000210953_100000211248 [0,2,0,0,0,0|2,0,0]=4 5157 B10R0.57 COC(=O)C(C)NCC(C)C 34a_100000210953_100000211248 [0,2,0,0,0,0|2,0,0]=4 5158 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100000210257_100000211248 [0,2,0,0,0,0|2,0,0]=4 5159 B10R0.57 COC(=O)C(C)OCC(C)C 34a_100011215400_100000210624 [0,2,0,0,0,0|2,0,0]=4 5160 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000210624_100000211248 [0,2,0,0,0,0|2,0,0]=4 5161 B10R0.57 COC(=O)C(C)SCC(C)C 62a_100000211248_100000210760 [0,2,0,0,0,0|2,0,0]=4 5162 B10R0.57 COC(=O)C(F)COC(C)C 34a_200009849844_100000210206 [0,2,0,0,0,0|2,0,0]=4 5163 B10R0.57 COC(=O)[C@H](N)COC(C)C 34a_100000003586_100000210206 [0,2,0,0,0,0|2,0,0]=4 5164 B10R0.59 C#CC(C)SCOC(=O)OC 62a_200000035995_100000139417 [0,2,0,0,0,0|1,0,1]=4 5165 B10R0.59 C=CC(=O)NCCC(C)CC 1626a_100020591266_100000185746 [0,2,0,0,0,0|1,0,1]=4 5166 B10R0.59 C=CC(=O)NCCC(C)CC 240690a_100020591266_200121576911 [0,2,0,0,0,0|1,0,1]=4 5167 B10R0.59 C=CC(=O)NCCC(C)CO 240690a_106354213184_200121576911 [0,2,0,0,0,0|1,0,1]=4 5168 B10R0.59 C=CC(=O)OCCN(C)CC 2230a_100000225621_100009813456 [0,2,0,0,0,0|1,0,1]=4 5169 B10R0.59 C=CC(=O)OCCN(C)CC 269982a_100000225621_100009813456 [0,2,0,0,0,0|1,0,1]=4 5170 B10R0.59 C=CC(C)SCOC(=O)OC 62a_100011215867_100000139417 [0,2,0,0,0,0|1,0,1]=4 5171 B10R0.59 CC(CO)CCNC(=O)CO 240690a_106354213184_100000210174 [0,2,0,0,0,0|1,0,0]=3 5172 B10R0.59 CC(CO)CCNC(=O)CO 527a_106354213184_100000210174 [0,2,0,0,0,0|1,0,0]=3 5173 B10R0.59 CCC(=O)CCCN(C)CC 1458a_100000210414_100015186262 [0,2,0,0,0,0|2,0,0]=4 5174 B10R0.59 CCC(=O)CCOC(=O)NC 1458a_100000210414_200011997002 [0,2,0,0,0,0|1,0,1]=4 5175 B10R0.59 CCC(=O)COCC(C)CC 34a_100000725409_100000748023 [0,2,0,0,0,0|2,0,0]=4 5176 B10R0.59 CCC(=O)COC[C@@H](C)CC 34a_100000725409_100009816398 [0,2,0,0,0,0|2,0,0]=4 5177 B10R0.59 CCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747405 [0,2,0,0,0,0|2,0,0]=4 5178 B10R0.59 CCC(=O)COC[C@@H](C)CO 34a_100000725409_100000059175 [0,2,0,0,0,0|2,0,0]=4 5179 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000747405_100000748023 [0,2,0,0,0,0|2,0,0]=4 5180 B10R0.59 CCC(=O)CSCC(C)CC 62a_100000748023_100000747405 [0,2,0,0,0,0|2,0,0]=4 5181 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100000747405_100009816398 [0,2,0,0,0,0|2,0,0]=4 5182 B10R0.59 CCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747405 [0,2,0,0,0,0|2,0,0]=4 5183 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747405 [0,2,0,0,0,0|2,0,0]=4 5184 B10R0.59 CCC(=O)CSC[C@@H](C)CO 62a_100000747405_100000059175 [0,2,0,0,0,0|2,0,0]=4 5185 B10R0.59 CCC(=O)NCCC(C)CC 11a_100020591266_100000210414 [0,2,0,0,0,0|1,0,0]=3 5186 B10R0.59 CCC(=O)NCCC(C)CC 1626a_100020591266_100000210414 [0,2,0,0,0,0|1,0,0]=3 5187 B10R0.59 CCC(=O)NCCC(C)CC 240690a_100020591266_100000210414 [0,2,0,0,0,0|1,0,0]=3 5188 B10R0.59 CCC(=O)NCCC(C)CC 527a_100020591266_100000210414 [0,2,0,0,0,0|1,0,0]=3 5189 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [0,2,0,0,0,0|1,0,0]=3 5190 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [0,2,0,0,0,0|1,0,0]=3 5191 B10R0.59 CCC(C)CCNC(=O)CO 240690a_100020591266_100000210174 [0,2,0,0,0,0|1,0,0]=3 5192 B10R0.59 CCC(C)CCNC(=O)CO 527a_100020591266_100000210174 [0,2,0,0,0,0|1,0,0]=3 5193 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100020591266_106832991635 [0,2,0,0,0,0|1,0,0]=3 5194 B10R0.59 CCC(C)CCNC(=O)NC 2708a_100102657272_100020591266 [0,2,0,0,0,0|1,0,0]=3 5195 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100020591266_100102657272 [0,2,0,0,0,0|1,0,0]=3 5196 B10R0.59 CCC(C)CCNC(=O)NC 273464a_100102657272_100020591266 [0,2,0,0,0,0|1,0,0]=3 5197 B10R0.59 CCC(C)CCNC(=O)NC 512a_100020591266_100102657272 [0,2,0,0,0,0|1,0,0]=3 5198 B10R0.59 CCC(C)CCNC(=O)NC 512a_106832991638_100020591266 [0,2,0,0,0,0|1,0,0]=3 5199 B10R0.59 CCC(C)CCOC(C)C#N 7a_100011215188_100000703298 [0,2,0,0,0,0|1,0,1]=4 5200 B10R0.59 CCC(C)CCOC(C)CC 7a_100011215188_100000758301 [0,2,0,0,0,0|1,0,1]=4 5201 B10R0.59 CCC(C)CCOC(C)CO 7a_100011215188_100012180447 [0,2,0,0,0,0|0,0,2]=4 5202 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100000693194_100000748023 [0,2,0,0,0,0|2,0,0]=4 5203 B10R0.59 CCC(C)CNCC(=O)NC 2230a_100020588543_100000183359 [0,2,0,0,0,0|2,0,0]=4 5204 B10R0.59 CCC(C)CNCC(=O)NC 270004a_100000693194_100000243153 [0,2,0,0,0,0|2,0,0]=4 5205 B10R0.59 CCC(C)CNCC(=O)OC 2230a_100020588543_100000747449 [0,2,0,0,0,0|2,0,0]=4 5206 B10R0.59 CCC(C)COCC(=O)NC 34a_100000750040_100000748023 [0,2,0,0,0,0|2,0,0]=4 5207 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000183359_100000748023 [0,2,0,0,0,0|2,0,0]=4 5208 B10R0.59 CCC(C)CSCC(=O)NC 62a_100000748023_100000183359 [0,2,0,0,0,0|2,0,0]=4 5209 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000747449_100000748023 [0,2,0,0,0,0|2,0,0]=4 5210 B10R0.59 CCC(C)CSCC(=O)OC 62a_100000748023_100000747449 [0,2,0,0,0,0|2,0,0]=4 5211 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000209981_100000737683 [0,2,0,0,0,0|2,0,0]=4 5212 B10R0.59 CCC(C)NCCC(=O)NC 2230a_100000738227_100000758301 [0,2,0,0,0,0|2,0,0]=4 5213 B10R0.59 CCC(C)NCCC(=O)NC 34a_100000738227_100011215416 [0,2,0,0,0,0|2,0,0]=4 5214 B10R0.59 CCC(C)NCCC(=O)OC 2230a_100000209981_100000204255 [0,2,0,0,0,0|2,0,0]=4 5215 B10R0.59 CCC(C)OCCC(=O)NC 34a_100000754576_100011215416 [0,2,0,0,0,0|2,0,0]=4 5216 B10R0.59 CCC(C)OCCC(=O)NC 7a_100000210228_100000737683 [0,2,0,0,0,0|2,0,0]=4 5217 B10R0.59 CCC(C)OCCC(=O)OC 7a_100000210228_100000204255 [0,2,0,0,0,0|2,0,0]=4 5218 B10R0.59 CCC(C)OCCC(C)OC 7a_100000764861_100000758301 [0,2,0,0,0,0|1,0,1]=4 5219 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000737683_100000758301 [0,2,0,0,0,0|2,0,0]=4 5220 B10R0.59 CCC(C)SCCC(=O)NC 62a_100000758301_100000737683 [0,2,0,0,0,0|2,0,0]=4 5221 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000204255_100000758301 [0,2,0,0,0,0|2,0,0]=4 5222 B10R0.59 CCC(C)SCCC(=O)OC 62a_100000758301_100000204255 [0,2,0,0,0,0|2,0,0]=4 5223 B10R0.59 CCC(C)SCOC(=O)OC 62a_100000758301_100000139417 [0,2,0,0,0,0|1,0,0]=3 5224 B10R0.59 CCN(C)CCCC(=O)CO 1458a_100000210174_100015186262 [0,2,0,0,0,0|2,0,0]=4 5225 B10R0.59 CCN(C)CCCC(=O)NC 2230a_100000225621_100000741757 [0,2,0,0,0,0|2,0,0]=4 5226 B10R0.59 CCN(C)CCCC(=O)NC 269982a_100000225621_100000741757 [0,2,0,0,0,0|2,0,0]=4 5227 B10R0.59 CCN(C)CCCC(=O)OC 2230a_100000225621_100011218270 [0,2,0,0,0,0|2,0,0]=4 5228 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000225621_100011218270 [0,2,0,0,0,0|2,0,0]=4 5229 B10R0.59 CCN(C)CCCC(=O)OC 269982a_100000739225_100000204670 [0,2,0,0,0,0|2,0,0]=4 5230 B10R0.59 CCN(C)CCOC(=O)NC 269982a_100000225621_200011997002 [0,2,0,0,0,0|1,0,0]=3 5231 B10R0.59 CC[C@H](C)CNCC(=O)NC 2230a_100000693194_100009816398 [0,2,0,0,0,0|2,0,0]=4 5232 B10R0.59 CC[C@H](C)COCC(=O)NC 34a_100000750040_100009816398 [0,2,0,0,0,0|2,0,0]=4 5233 B10R0.59 CC[C@H](C)COCC(=O)NC 7a_100009816381_100000183359 [0,2,0,0,0,0|2,0,0]=4 5234 B10R0.59 CC[C@H](C)COCC(=O)OC 7a_100009816381_100000747449 [0,2,0,0,0,0|2,0,0]=4 5235 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100000183359_100009816398 [0,2,0,0,0,0|2,0,0]=4 5236 B10R0.59 CC[C@H](C)CSCC(=O)NC 62a_100009816398_100000183359 [0,2,0,0,0,0|2,0,0]=4 5237 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100000747449_100009816398 [0,2,0,0,0,0|2,0,0]=4 5238 B10R0.59 CC[C@H](C)CSCC(=O)OC 62a_100009816398_100000747449 [0,2,0,0,0,0|2,0,0]=4 5239 B10R0.59 CNC(=O)CCNC(C)CO 2230a_100000738227_100012180447 [0,2,0,0,0,0|2,0,0]=4 5240 B10R0.59 CNC(=O)CCNC(C)CO 34a_100000738227_100012180447 [0,2,0,0,0,0|2,0,0]=4 5241 B10R0.59 CNC(=O)CCN[C@H](C)CO 2230a_100000737577_100000737683 [0,2,0,0,0,0|2,0,0]=4 5242 B10R0.59 CNC(=O)CCOC(C)CF 34a_100016041109_100012179268 [0,2,0,0,0,0|2,0,0]=4 5243 B10R0.59 CNC(=O)CCOC(C)CF 7a_100016041109_100000737683 [0,2,0,0,0,0|2,0,0]=4 5244 B10R0.59 CNC(=O)CCOC(C)CN 34a_100000210904_100012179268 [0,2,0,0,0,0|2,0,0]=4 5245 B10R0.59 CNC(=O)CCOC(C)CO 34a_100000754576_100012180447 [0,2,0,0,0,0|2,0,0]=4 5246 B10R0.59 CNC(=O)CCSC(C)CO 62a_100012180447_100000737683 [0,2,0,0,0,0|2,0,0]=4 5247 B10R0.59 CNC(=O)CCSC(C)OC 62a_100000737683_100009879195 [0,2,0,0,0,0|2,0,0]=4 5248 B10R0.59 CNC(=O)CCSC(C)OC 62a_100009879195_100000737683 [0,2,0,0,0,0|2,0,0]=4 5249 B10R0.59 CNC(=O)CCS[C@H](C)CO 62a_100000737683_100016084084 [0,2,0,0,0,0|2,0,0]=4 5250 B10R0.59 CNC(=O)CCS[C@H](C)CO 62a_100016084084_100000737683 [0,2,0,0,0,0|2,0,0]=4 5251 B10R0.59 CNC(=O)CNCC(C)CO 34a_100000744482_100000183359 [0,2,0,0,0,0|2,0,0]=4 5252 B10R0.59 CNC(=O)CNC[C@@H](C)CO 2230a_100000693194_100000059175 [0,2,0,0,0,0|2,0,0]=4 5253 B10R0.59 CNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183359 [0,2,0,0,0,0|2,0,0]=4 5254 B10R0.59 CNC(=O)COCC(C)CN 34a_100000744482_100000183359 [0,2,0,0,0,0|2,0,0]=4 5255 B10R0.59 CNC(=O)COCC(C)OC 34a_100000690652_100000183359 [0,2,0,0,0,0|2,0,0]=4 5256 B10R0.59 CNC(=O)COC[C@@H](C)CO 34a_100000750040_100000059175 [0,2,0,0,0,0|2,0,0]=4 5257 B10R0.59 CNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183359 [0,2,0,0,0,0|2,0,0]=4 5258 B10R0.59 CNC(=O)CSC[C@@H](C)CO 62a_100000183359_100000059175 [0,2,0,0,0,0|2,0,0]=4 5259 B10R0.59 CNC(=O)NCCC(C)CO 2708a_100102657272_106354213184 [0,2,0,0,0,0|1,0,0]=3 5260 B10R0.59 CNC(=O)NCCC(C)CO 273464a_100102657272_106354213184 [0,2,0,0,0,0|1,0,0]=3 5261 B10R0.59 CNC(=O)NCCC(C)CO 273464a_106354213184_100102657272 [0,2,0,0,0,0|1,0,0]=3 5262 B10R0.59 CNC(=O)NCCC(C)CO 512a_106354213184_100102657272 [0,2,0,0,0,0|1,0,0]=3 5263 B10R0.59 CNC(=O)NCCC(C)CO 512a_106832991638_106354213184 [0,2,0,0,0,0|1,0,0]=3 5264 B10R0.59 CNC(=O)OCCC(=O)CO 1458a_100000210174_200011997002 [0,2,0,0,0,0|1,0,1]=4 5265 B10R0.59 COC(=O)CCCN(C)CF 269982a_100000739225_100015361967 [0,2,0,0,0,0|2,0,0]=4 5266 B10R0.59 COC(=O)CCN[C@H](C)CO 2230a_100000737577_100000204255 [0,2,0,0,0,0|2,0,0]=4 5267 B10R0.59 COC(=O)CCOC(C)CF 34a_100016041109_100000742370 [0,2,0,0,0,0|2,0,0]=4 5268 B10R0.59 COC(=O)CCOC(C)CF 7a_100016041109_100000204255 [0,2,0,0,0,0|2,0,0]=4 5269 B10R0.59 COC(=O)CCOC(C)CN 34a_100000210904_100000742370 [0,2,0,0,0,0|2,0,0]=4 5270 B10R0.59 COC(=O)CCSC(C)CO 62a_100012180447_100000204255 [0,2,0,0,0,0|2,0,0]=4 5271 B10R0.59 COC(=O)CCSC(C)OC 62a_100000204255_100009879195 [0,2,0,0,0,0|2,0,0]=4 5272 B10R0.59 COC(=O)CCSC(C)OC 62a_100009879195_100000204255 [0,2,0,0,0,0|2,0,0]=4 5273 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100000204255_100016084084 [0,2,0,0,0,0|2,0,0]=4 5274 B10R0.59 COC(=O)CCS[C@H](C)CO 62a_100016084084_100000204255 [0,2,0,0,0,0|2,0,0]=4 5275 B10R0.59 COC(=O)CNCC(C)CO 34a_100000744482_100000747449 [0,2,0,0,0,0|2,0,0]=4 5276 B10R0.59 COC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747449 [0,2,0,0,0,0|2,0,0]=4 5277 B10R0.59 COC(=O)COCC(C)CN 34a_100000744482_100000747449 [0,2,0,0,0,0|2,0,0]=4 5278 B10R0.59 COC(=O)COCC(C)OC 34a_100000690652_100000747449 [0,2,0,0,0,0|2,0,0]=4 5279 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747449 [0,2,0,0,0,0|2,0,0]=4 5280 B10R0.59 COC(=O)CSC[C@@H](C)CO 62a_100000747449_100000059175 [0,2,0,0,0,0|2,0,0]=4 5281 B10R0.59 COC(=O)OCSC(C)C#N 62a_100000703298_100000139417 [0,2,0,0,0,0|1,0,1]=4 5282 B10R0.59 COC(=O)OCSC(C)CO 62a_100012180447_100000139417 [0,2,0,0,0,0|1,0,0]=3 5283 B10R0.59 COC(=O)OCSC(C)OC 62a_100009879195_100000139417 [0,2,0,0,0,0|1,0,0]=3 5284 B10R0.59 COC(=O)OCS[C@H](C)CO 62a_100016084084_100000139417 [0,2,0,0,0,0|1,0,0]=3 5285 B10R0.59 COC(C)CCOC(C)C#N 7a_100000764861_100000703298 [0,2,0,0,0,0|1,0,1]=4 5286 B10R0.59 COC(C)CCOC(C)CO 7a_100000764861_100012180447 [0,2,0,0,0,0|0,0,2]=4 5287 B10R0.60 C#C[C@@H](C)OCCC(C)(C)C 34a_100009815206_100000755188 [0,2,0,0,0,0|1,0,1]=4 5288 B10R0.60 C#C[C@@H](C)OCCC(C)(C)C 7a_100009815206_100000755188 [0,2,0,0,0,0|1,0,1]=4 5289 B10R0.60 C#C[C@@H](C)OCCC(C)(C)O 34a_100009815206_100000702414 [0,2,0,0,0,0|1,0,1]=4 5290 B10R0.60 C#C[C@@H](C)OCCC(C)(C)O 7a_100009815206_100000702414 [0,2,0,0,0,0|1,0,1]=4 5291 B10R0.60 C=CC(=O)NCCC(C)(C)C 1626a_100000738805_100000185746 [0,2,0,0,0,0|1,0,1]=4 5292 B10R0.60 C=CC(=O)NCCC(C)(C)C 240690a_100000738805_200121576911 [0,2,0,0,0,0|1,0,1]=4 5293 B10R0.60 C=CC(=O)NCCC(C)(C)F 1626a_100016253952_100000185746 [0,2,0,0,0,0|1,0,1]=4 5294 B10R0.60 C=CC(=O)NCCC(C)(C)F 240690a_100016253952_200121576911 [0,2,0,0,0,0|1,0,1]=4 5295 B10R0.60 C=CC(=O)NCCC(C)(C)O 1626a_100000707701_100000185746 [0,2,0,0,0,0|1,0,1]=4 5296 B10R0.60 C=CC(C)OCCC(C)(C)C 34a_100000695699_100000755188 [0,2,0,0,0,0|1,0,1]=4 5297 B10R0.60 C=CC(C)OCCC(C)(C)O 34a_100000695699_100000702414 [0,2,0,0,0,0|1,0,1]=4 5298 B10R0.60 CC(C#N)OCCC(C)(C)C 34a_100011218135_100000755188 [0,2,0,0,0,0|1,0,1]=4 5299 B10R0.60 CC(C#N)OCCC(C)(C)C 7a_100000765024_100000703298 [0,2,0,0,0,0|1,0,1]=4 5300 B10R0.60 CC(C#N)OCCC(C)(C)O 34a_100011218135_100000702414 [0,2,0,0,0,0|1,0,1]=4 5301 B10R0.60 CC(C)(C)CCNC(=O)CO 240690a_100000738805_100000210174 [0,2,0,0,0,0|1,0,0]=3 5302 B10R0.60 CC(C)(C)CCNC(=O)CO 527a_100000738805_100000210174 [0,2,0,0,0,0|1,0,0]=3 5303 B10R0.60 CC(C)(F)CCNC(=O)CO 240690a_100016253952_100000210174 [0,2,0,0,0,0|1,0,0]=3 5304 B10R0.60 CC(C)(F)CCNC(=O)CO 527a_100016253952_100000210174 [0,2,0,0,0,0|1,0,0]=3 5305 B10R0.60 CC(C)(O)CCNC(=O)CO 527a_100000707701_100000210174 [0,2,0,0,0,0|1,0,0]=3 5306 B10R0.60 CC(CF)OCCC(C)(C)C 34a_100016041109_100000755188 [0,2,0,0,0,0|1,0,1]=4 5307 B10R0.60 CC(CF)OCCC(C)(C)C 7a_100016041109_100000755188 [0,2,0,0,0,0|1,0,1]=4 5308 B10R0.60 CC(CF)OCCC(C)(C)O 34a_100016041109_100000702414 [0,2,0,0,0,0|1,0,1]=4 5309 B10R0.60 CC(CF)OCCC(C)(C)O 7a_100016041109_100000702414 [0,2,0,0,0,0|1,0,1]=4 5310 B10R0.60 CC(CN)OCCC(C)(C)C 34a_100000210904_100000755188 [0,2,0,0,0,0|1,0,1]=4 5311 B10R0.60 CC(CN)OCCC(C)(C)O 34a_100000210904_100000702414 [0,2,0,0,0,0|1,0,1]=4 5312 B10R0.60 CC(CO)CCNS(=O)(=O)C 40a_106354213184_100000738038 [0,2,0,0,0,0|2,0,0]=4 5313 B10R0.60 CC(CO)OCCC(C)(C)C 7a_100000765024_100012180447 [0,2,0,0,0,0|0,0,2]=4 5314 B10R0.60 CCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210202 [0,2,0,0,0,0|2,0,0]=4 5315 B10R0.60 CCC(=O)CCC[N+](C)(C)C 1458a_100000210414_100016990835 [0,2,0,0,0,0|2,0,0]=4 5316 B10R0.60 CCC(=O)CCC[Si](C)(C)C 1458a_100000210414_100011219597 [0,2,0,0,0,0|1,1,0]=4 5317 B10R0.60 CCC(=O)COCC(C)(C)C 34a_100000725409_100011219605 [0,2,0,0,0,0|2,0,0]=4 5318 B10R0.60 CCC(=O)COCC(C)(C)F 34a_100000725409_100011997219 [0,2,0,0,0,0|2,0,0]=4 5319 B10R0.60 CCC(=O)COCC(C)(C)O 34a_100000725409_100000764493 [0,2,0,0,0,0|2,0,0]=4 5320 B10R0.60 CCC(=O)CSCC(C)(C)C 62a_100000747405_100011219605 [0,2,0,0,0,0|2,0,0]=4 5321 B10R0.60 CCC(=O)CSCC(C)(C)C 62a_100011219605_100000747405 [0,2,0,0,0,0|2,0,0]=4 5322 B10R0.60 CCC(=O)CSCC(C)(C)F 62a_100000747405_100011997219 [0,2,0,0,0,0|2,0,0]=4 5323 B10R0.60 CCC(=O)CSCC(C)(C)F 62a_100011997219_100000747405 [0,2,0,0,0,0|2,0,0]=4 5324 B10R0.60 CCC(=O)CSCC(C)(C)O 62a_100000747405_100000764493 [0,2,0,0,0,0|2,0,0]=4 5325 B10R0.60 CCC(=O)CSCC(C)(C)O 62a_100000764493_100000747405 [0,2,0,0,0,0|2,0,0]=4 5326 B10R0.60 CCC(=O)NCCC(C)(C)C 11a_100000738805_100000210414 [0,2,0,0,0,0|1,0,0]=3 5327 B10R0.60 CCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210414 [0,2,0,0,0,0|1,0,0]=3 5328 B10R0.60 CCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210414 [0,2,0,0,0,0|1,0,0]=3 5329 B10R0.60 CCC(=O)NCCC(C)(C)C 527a_100000738805_100000210414 [0,2,0,0,0,0|1,0,0]=3 5330 B10R0.60 CCC(=O)NCCC(C)(C)F 11a_100016253952_100000210414 [0,2,0,0,0,0|1,0,0]=3 5331 B10R0.60 CCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210414 [0,2,0,0,0,0|1,0,0]=3 5332 B10R0.60 CCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210414 [0,2,0,0,0,0|1,0,0]=3 5333 B10R0.60 CCC(=O)NCCC(C)(C)F 527a_100016253952_100000210414 [0,2,0,0,0,0|1,0,0]=3 5334 B10R0.60 CCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210414 [0,2,0,0,0,0|1,0,0]=3 5335 B10R0.60 CCC(=O)NCCC(C)(C)O 527a_100000707701_100000210414 [0,2,0,0,0,0|1,0,0]=3 5336 B10R0.60 CCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000210414 [0,2,0,0,0,0|2,0,0]=4 5337 B10R0.60 CCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000210414 [0,2,0,0,0,0|2,0,0]=4 5338 B10R0.60 CCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000210414 [0,2,0,0,0,0|2,0,0]=4 5339 B10R0.60 CCC(C)CCNS(=O)(=O)C 40a_100020591266_100000738038 [0,2,0,0,0,0|2,0,0]=4 5340 B10R0.60 CCC(C)OCCC(C)(C)C 7a_100000210228_100000755188 [0,2,0,0,0,0|1,0,1]=4 5341 B10R0.60 CCC(C)OCCC(C)(C)C 7a_100000765024_100000758301 [0,2,0,0,0,0|1,0,1]=4 5342 B10R0.60 CCC(C)OCCC(C)(C)O 7a_100000210228_100000702414 [0,2,0,0,0,0|1,0,1]=4 5343 B10R0.60 CCN(C)CCOS(=O)(=O)C 2230a_100000225621_200000036756 [0,2,0,0,0,0|2,0,0]=4 5344 B10R0.60 CCN(C)CCOS(=O)(=O)C 269982a_100000225621_200000036756 [0,2,0,0,0,0|2,0,0]=4 5345 B10R0.60 CNC(=O)CCC[N+](C)(C)C 11a_106832991635_100000085584 [0,2,0,0,0,0|2,0,0]=4 5346 B10R0.60 CNC(=O)CCC[N+](C)(C)C 1626a_100102657272_100000085584 [0,2,0,0,0,0|2,0,0]=4 5347 B10R0.60 CNC(=O)CCC[N+](C)(C)C 240690a_100102657272_100000085584 [0,2,0,0,0,0|2,0,0]=4 5348 B10R0.60 CNC(=O)CCC[N+](C)(C)C 527a_100102657272_100000085584 [0,2,0,0,0,0|2,0,0]=4 5349 B10R0.60 CNC(=O)CCNC(C)(C)C 2230a_100000715429_100000737683 [0,2,0,0,0,0|2,0,0]=4 5350 B10R0.60 CNC(=O)CCNC(C)(C)C 34a_100000738227_100000210625 [0,2,0,0,0,0|2,0,0]=4 5351 B10R0.60 CNC(=O)CCOC(C)(C)C 34a_100000754576_100000210625 [0,2,0,0,0,0|2,0,0]=4 5352 B10R0.60 CNC(=O)CCOC(C)(C)C 34a_100015890283_100012179268 [0,2,0,0,0,0|2,0,0]=4 5353 B10R0.60 CNC(=O)CCOC(C)(C)C 7a_100015890283_100000737683 [0,2,0,0,0,0|2,0,0]=4 5354 B10R0.60 CNC(=O)CCSC(C)(C)C 62a_100000211941_100000737683 [0,2,0,0,0,0|2,0,0]=4 5355 B10R0.60 CNC(=O)CCSC(C)(C)C 62a_100000737683_100000211941 [0,2,0,0,0,0|2,0,0]=4 5356 B10R0.60 CNC(=O)CNCC(C)(C)C 2230a_100000743828_100000183359 [0,2,0,0,0,0|2,0,0]=4 5357 B10R0.60 CNC(=O)CNCC(C)(C)C 270004a_100000693194_100011204126 [0,2,0,0,0,0|2,0,0]=4 5358 B10R0.60 CNC(=O)CNCC(C)(C)F 2230a_100020643315_100000183359 [0,2,0,0,0,0|2,0,0]=4 5359 B10R0.60 CNC(=O)CNCC(C)(C)O 2230a_100000751335_100000183359 [0,2,0,0,0,0|2,0,0]=4 5360 B10R0.60 CNC(=O)COCC(C)(C)C 34a_100000750040_100011219605 [0,2,0,0,0,0|2,0,0]=4 5361 B10R0.60 CNC(=O)COCC(C)(C)F 34a_100000716592_100000183359 [0,2,0,0,0,0|2,0,0]=4 5362 B10R0.60 CNC(=O)COCC(C)(C)F 34a_100000750040_100011997219 [0,2,0,0,0,0|2,0,0]=4 5363 B10R0.60 CNC(=O)COCC(C)(C)O 34a_100000750040_100000764493 [0,2,0,0,0,0|2,0,0]=4 5364 B10R0.60 CNC(=O)CSCC(C)(C)C 62a_100000183359_100011219605 [0,2,0,0,0,0|2,0,0]=4 5365 B10R0.60 CNC(=O)CSCC(C)(C)C 62a_100011219605_100000183359 [0,2,0,0,0,0|2,0,0]=4 5366 B10R0.60 CNC(=O)CSCC(C)(C)F 62a_100000183359_100011997219 [0,2,0,0,0,0|2,0,0]=4 5367 B10R0.60 CNC(=O)CSCC(C)(C)F 62a_100011997219_100000183359 [0,2,0,0,0,0|2,0,0]=4 5368 B10R0.60 CNC(=O)CSCC(C)(C)O 62a_100000183359_100000764493 [0,2,0,0,0,0|2,0,0]=4 5369 B10R0.60 CNC(=O)CSCC(C)(C)O 62a_100000764493_100000183359 [0,2,0,0,0,0|2,0,0]=4 5370 B10R0.60 CNC(=O)NCCC(C)(C)C 2708a_100000738805_106832991635 [0,2,0,0,0,0|1,0,0]=3 5371 B10R0.60 CNC(=O)NCCC(C)(C)C 2708a_100102657272_100000738805 [0,2,0,0,0,0|1,0,0]=3 5372 B10R0.60 CNC(=O)NCCC(C)(C)C 273464a_100000738805_100102657272 [0,2,0,0,0,0|1,0,0]=3 5373 B10R0.60 CNC(=O)NCCC(C)(C)C 273464a_100102657272_100000738805 [0,2,0,0,0,0|1,0,0]=3 5374 B10R0.60 CNC(=O)NCCC(C)(C)C 512a_100000738805_100102657272 [0,2,0,0,0,0|1,0,0]=3 5375 B10R0.60 CNC(=O)NCCC(C)(C)C 512a_106832991638_100000738805 [0,2,0,0,0,0|1,0,0]=3 5376 B10R0.60 CNC(=O)NCCC(C)(C)F 2708a_100016253952_106832991635 [0,2,0,0,0,0|1,0,0]=3 5377 B10R0.60 CNC(=O)NCCC(C)(C)F 2708a_100102657272_100016253952 [0,2,0,0,0,0|1,0,0]=3 5378 B10R0.60 CNC(=O)NCCC(C)(C)F 273464a_100016253952_100102657272 [0,2,0,0,0,0|1,0,0]=3 5379 B10R0.60 CNC(=O)NCCC(C)(C)F 273464a_100102657272_100016253952 [0,2,0,0,0,0|1,0,0]=3 5380 B10R0.60 CNC(=O)NCCC(C)(C)F 512a_100016253952_100102657272 [0,2,0,0,0,0|1,0,0]=3 5381 B10R0.60 CNC(=O)NCCC(C)(C)F 512a_106832991638_100016253952 [0,2,0,0,0,0|1,0,0]=3 5382 B10R0.60 CNC(=O)NCCC(C)(C)O 2708a_100000707701_106832991635 [0,2,0,0,0,0|1,0,0]=3 5383 B10R0.60 CNC(=O)NCCC(C)(C)O 2708a_100102657272_100000707701 [0,2,0,0,0,0|1,0,0]=3 5384 B10R0.60 CNC(=O)NCCC(C)(C)O 273464a_100000707701_100102657272 [0,2,0,0,0,0|1,0,0]=3 5385 B10R0.60 CNC(=O)NCCC(C)(C)O 273464a_100102657272_100000707701 [0,2,0,0,0,0|1,0,0]=3 5386 B10R0.60 CNC(=O)NCCC(C)(C)O 512a_100000707701_100102657272 [0,2,0,0,0,0|1,0,0]=3 5387 B10R0.60 CNC(=O)NCCC(C)(C)O 512a_106832991638_100000707701 [0,2,0,0,0,0|1,0,0]=3 5388 B10R0.60 CNC(=O)NCC[N+](C)(C)C 2708a_100102657272_100000106457 [0,2,0,0,0,0|2,0,0]=4 5389 B10R0.60 CNC(=O)NCC[N+](C)(C)C 273464a_100000106457_100102657272 [0,2,0,0,0,0|2,0,0]=4 5390 B10R0.60 CNC(=O)NCC[N+](C)(C)C 273464a_100102657272_100000106457 [0,2,0,0,0,0|2,0,0]=4 5391 B10R0.60 CNC(=O)NCC[N+](C)(C)C 512a_100000106457_100102657272 [0,2,0,0,0,0|2,0,0]=4 5392 B10R0.60 CNC(=O)NCC[N+](C)(C)C 512a_106832991638_100000106457 [0,2,0,0,0,0|2,0,0]=4 5393 B10R0.60 COC(=O)CCNC(C)(C)C 2230a_100000715429_100000204255 [0,2,0,0,0,0|2,0,0]=4 5394 B10R0.60 COC(=O)CCOC(C)(C)C 34a_100015890283_100000742370 [0,2,0,0,0,0|2,0,0]=4 5395 B10R0.60 COC(=O)CCOC(C)(C)C 7a_100015890283_100000204255 [0,2,0,0,0,0|2,0,0]=4 5396 B10R0.60 COC(=O)CCSC(C)(C)C 62a_100000204255_100000211941 [0,2,0,0,0,0|2,0,0]=4 5397 B10R0.60 COC(=O)CCSC(C)(C)C 62a_100000211941_100000204255 [0,2,0,0,0,0|2,0,0]=4 5398 B10R0.60 COC(=O)CNCC(C)(C)C 2230a_100000743828_100000747449 [0,2,0,0,0,0|2,0,0]=4 5399 B10R0.60 COC(=O)CNCC(C)(C)F 2230a_100020643315_100000747449 [0,2,0,0,0,0|2,0,0]=4 5400 B10R0.60 COC(=O)CNCC(C)(C)O 2230a_100000751335_100000747449 [0,2,0,0,0,0|2,0,0]=4 5401 B10R0.60 COC(=O)COCC(C)(C)F 34a_100000716592_100000747449 [0,2,0,0,0,0|2,0,0]=4 5402 B10R0.60 COC(=O)CSCC(C)(C)C 62a_100000747449_100011219605 [0,2,0,0,0,0|2,0,0]=4 5403 B10R0.60 COC(=O)CSCC(C)(C)C 62a_100011219605_100000747449 [0,2,0,0,0,0|2,0,0]=4 5404 B10R0.60 COC(=O)CSCC(C)(C)F 62a_100000747449_100011997219 [0,2,0,0,0,0|2,0,0]=4 5405 B10R0.60 COC(=O)CSCC(C)(C)F 62a_100011997219_100000747449 [0,2,0,0,0,0|2,0,0]=4 5406 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000747449_100000764493 [0,2,0,0,0,0|2,0,0]=4 5407 B10R0.60 COC(=O)CSCC(C)(C)O 62a_100000764493_100000747449 [0,2,0,0,0,0|2,0,0]=4 5408 B10R0.60 COC(=O)OCSC(C)(C)C 62a_100000211941_100000139417 [0,2,0,0,0,0|1,0,0]=3 5409 B10R0.60 C[N+](C)(C)CCCC(=O)CF 1458a_100000085584_100015361967 [0,2,0,0,0,0|2,0,0]=4 5410 B10R0.60 C[N+](C)(C)CCCC(=O)CO 1458a_100000210174_100016990835 [0,2,0,0,0,0|2,0,0]=4 5411 B10R0.60 C[N+](C)(C)CCNC(=O)CO 240690a_100000106457_100000210174 [0,2,0,0,0,0|2,0,0]=4 5412 B10R0.60 C[N+](C)(C)CCNC(=O)CO 527a_100000106457_100000210174 [0,2,0,0,0,0|2,0,0]=4 5413 B10R0.60 C[Si](C)(C)CCCC(=O)CO 1458a_100000210174_100011219597 [0,2,0,0,0,0|1,1,0]=4 5414 B10R0.65 C#CC(C)(C)NCOC(=O)C 34a_100000054563_100009813279 [0,2,0,0,0,0|1,0,0]=3 5415 B10R0.65 C#CC(C)(C)OCCC(=O)C 34a_100000759926_100000038118 [0,2,0,0,0,0|2,0,0]=4 5416 B10R0.65 C#CC(C)(C)OCCC(=O)C 7a_100000189450_100000053229 [0,2,0,0,0,0|2,0,0]=4 5417 B10R0.65 C#CC(C)(C)OCCC(C)C 34a_100000189450_100000210312 [0,2,0,0,0,0|1,0,1]=4 5418 B10R0.65 C#CC(C)(C)OCCC(C)C 34a_100000210254_100000038118 [0,2,0,0,0,0|1,0,1]=4 5419 B10R0.65 C#CC(C)(C)OCCC(C)C 7a_100000189450_100000210626 [0,2,0,0,0,0|1,0,1]=4 5420 B10R0.65 C#CC(C)(C)OCOC(=O)C 34a_100000189450_100009813279 [0,2,0,0,0,0|1,0,0]=3 5421 B10R0.65 C#CC(C)(C)SCCC(=O)C 62a_100000038118_100000053229 [0,2,0,0,0,0|2,0,0]=4 5422 B10R0.65 C#CC(C)(C)SCCC(=O)C 62a_100000053229_100000038118 [0,2,0,0,0,0|2,0,0]=4 5423 B10R0.65 C#CC(C)(C)SCOC(=O)C 62a_100000038118_100000076356 [0,2,0,0,0,0|1,0,0]=3 5424 B10R0.65 C#CC(C)(C)SCOC(=O)C 62a_100000076356_100000038118 [0,2,0,0,0,0|1,0,0]=3 5425 B10R0.65 C=CC(C)(C)OCCC(=O)C 7a_100011215311_100000053229 [0,2,0,0,0,0|2,0,0]=4 5426 B10R0.65 C=CC(C)(C)OCCC(C)C 34a_100011215311_100000210312 [0,2,0,0,0,0|1,0,1]=4 5427 B10R0.65 C=CC(C)(C)OCCC(C)C 7a_100011215311_100000210626 [0,2,0,0,0,0|1,0,1]=4 5428 B10R0.65 C=CC(C)(C)OCOC(=O)C 34a_100011215311_100009813279 [0,2,0,0,0,0|1,0,0]=3 5429 B10R0.65 CC(=O)CCCC(C)(C)C#N 1458a_100000070787_100000759902 [0,2,0,0,0,0|1,0,0]=3 5430 B10R0.65 CC(=O)CCOC(C)(C)C#N 34a_100000759926_100011162410 [0,2,0,0,0,0|2,0,0]=4 5431 B10R0.65 CC(=O)CCOC(C)(C)C#N 7a_100000759926_100011162410 [0,2,0,0,0,0|2,0,0]=4 5432 B10R0.65 CC(=O)CCOC(C)(C)CCl 7a_100000764493_100000053229 [0,2,0,0,0,0|2,0,0]=4 5433 B10R0.65 CC(=O)CCSC(C)(C)C#N 62a_100000053229_100011162410 [0,2,0,0,0,0|2,0,0]=4 5434 B10R0.65 CC(=O)CCSC(C)(C)C#N 62a_100011162410_100000053229 [0,2,0,0,0,0|2,0,0]=4 5435 B10R0.65 CC(=O)COCC(C)(C)CO 34a_100000211253_100009813988 [0,2,0,0,0,0|2,0,0]=4 5436 B10R0.65 CC(=O)OCOC(C)(C)C#N 34a_200015195151_100009813279 [0,2,0,0,0,0|1,0,0]=3 5437 B10R0.65 CC(=O)OCSC(C)(C)C#N 62a_100000076356_100011162410 [0,2,0,0,0,0|1,0,0]=3 5438 B10R0.65 CC(=O)OCSC(C)(C)C#N 62a_100011162410_100000076356 [0,2,0,0,0,0|1,0,0]=3 5439 B10R0.65 CC(=O)OCSC(F)(F)CO 62a_100000076356_100011217949 [0,2,0,0,0,0|2,0,0]=4 5440 B10R0.65 CC(=O)OCSC(F)(F)CO 62a_100011217949_100000076356 [0,2,0,0,0,0|2,0,0]=4 5441 B10R0.65 CC(C)CCNS(=O)(=O)CCl 270084a_100000210545_100000031410 [0,2,0,0,0,0|2,0,0]=4 5442 B10R0.65 CC(C)CCNS(=O)(=O)CCl 274078a_100000210545_100000031410 [0,2,0,0,0,0|2,0,0]=4 5443 B10R0.65 CC(C)CCOC(C)(C)C#N 34a_100000210254_100011162410 [0,2,0,0,0,0|1,0,1]=4 5444 B10R0.65 CC(C)CCOC(C)(C)C#N 34a_200015195151_100000210312 [0,2,0,0,0,0|1,0,1]=4 5445 B10R0.65 CC(C)CCOC(C)(C)C#N 7a_100000210254_100011162410 [0,2,0,0,0,0|1,0,1]=4 5446 B10R0.65 CC(C)CCOC(C)(C)CCl 7a_100000764493_100000210626 [0,2,0,0,0,0|1,0,1]=4 5447 B10R0.65 CCC(C)(C)OCCC(=O)C 7a_100000210230_100000053229 [0,2,0,0,0,0|2,0,0]=4 5448 B10R0.65 CCC(C)(C)OCCC(=O)C 7a_100000759926_100000210677 [0,2,0,0,0,0|2,0,0]=4 5449 B10R0.65 CCC(C)(C)OCCC(C)C 7a_100000210230_100000210626 [0,2,0,0,0,0|1,0,1]=4 5450 B10R0.65 CCC(C)(C)OCCC(C)C 7a_100000210254_100000210677 [0,2,0,0,0,0|1,0,1]=4 5451 B10R0.65 CCC(C)(C)SCCC(=O)C 62a_100000032637_100000053229 [0,2,0,0,0,0|2,0,0]=4 5452 B10R0.65 CCC(C)(C)SCCC(=O)C 62a_100000053229_100000032637 [0,2,0,0,0,0|2,0,0]=4 5453 B10R0.65 CCC(C)(C)SCOC(=O)C 62a_100000032637_100000076356 [0,2,0,0,0,0|1,0,0]=3 5454 B10R0.65 CCC(C)(C)SCOC(=O)C 62a_100000076356_100000032637 [0,2,0,0,0,0|1,0,0]=3 5455 B10R0.65 CCS(=O)(=O)NCCC(C)C 270084a_100000210545_100000211323 [0,2,0,0,0,0|2,0,0]=4 5456 B10R0.65 CCS(=O)(=O)NCCC(C)C 274078a_100000210545_100000211323 [0,2,0,0,0,0|2,0,0]=4 5457 B10R0.65 CCS(=O)(=O)NCCC(C)C 40a_100000210545_100000053943 [0,2,0,0,0,0|2,0,0]=4 5458 B10R0.65 CNS(=O)(=O)CCOC(=O)C 270084a_100102657272_200000119425 [0,2,0,0,0,0|2,0,0]=4 5459 B10R0.65 CNS(=O)(=O)CCOC(=O)C 274078a_100102657272_200000119425 [0,2,0,0,0,0|2,0,0]=4 5460 B10R0.65 COC(C)(C)CCOC(C)C 7a_100000699976_100000210206 [0,2,0,0,0,0|1,0,1]=4 5461 B10R0.65 COC(C)(C)COCC(=O)C 34a_100000211253_100000701081 [0,2,0,0,0,0|2,0,0]=4 5462 B10R0.77 C#CC(CC)OCCC(C)C 34a_100000758843_100000210312 [0,2,0,0,0,0|1,0,1]=4 5463 B10R0.77 C#CC(CC)OCCC(C)C 7a_100000758843_100000210626 [0,2,0,0,0,0|1,0,1]=4 5464 B10R0.77 C#CC(CC)OCOC(=O)C 34a_100000758843_100009813279 [0,2,0,0,0,0|1,0,1]=4 5465 B10R0.77 C=CC(CC)OCCC(C)C 34a_100000766422_100000210312 [0,2,0,0,0,0|1,0,1]=4 5466 B10R0.77 C=CC(CC)OCCC(C)C 7a_100000766422_100000210626 [0,2,0,0,0,0|1,0,1]=4 5467 B10R0.77 C=CC(CC)OCOC(=O)C 34a_100000766422_100009813279 [0,2,0,0,0,0|1,0,1]=4 5468 B10R0.77 C=C[C@@H](CO)NCOC(=O)C 34a_100016989147_100009813279 [0,2,0,0,0,0|1,0,1]=4 5469 B10R0.77 CC(=O)CCOC(CCl)CCl 7a_100000737055_100000053229 [0,2,0,0,0,0|2,0,0]=4 5470 B10R0.77 CC(=O)CCOC(CF)CF 7a_100000032261_100000053229 [0,2,0,0,0,0|2,0,0]=4 5471 B10R0.77 CC(=O)CCO[C@@H](CF)CCl 7a_100015614560_100000053229 [0,2,0,0,0,0|2,0,0]=4 5472 B10R0.77 CC(=O)OCOC(CF)CF 34a_100000032261_100009813279 [0,2,0,0,0,0|1,0,0]=3 5473 B10R0.77 CC(=O)OCOC(CN)CN 34a_100000031598_100009813279 [0,2,0,0,0,0|1,0,0]=3 5474 B10R0.77 CC(=O)OCO[C@@H](CF)CCl 34a_100015614560_100009813279 [0,2,0,0,0,0|1,0,0]=3 5475 B10R0.77 CC(C)CCOC(C=O)C=O 34a_100000210254_100000736813 [0,2,0,0,0,0|0,0,2]=4 5476 B10R0.77 CC(C)CCOC(CCl)CCl 7a_100000737055_100000210626 [0,2,0,0,0,0|1,0,1]=4 5477 B10R0.77 CC(C)CCOC(CF)CF 34a_100000032261_100000210312 [0,2,0,0,0,0|1,0,1]=4 5478 B10R0.77 CC(C)CCOC(CF)CF 7a_100000032261_100000210626 [0,2,0,0,0,0|1,0,1]=4 5479 B10R0.77 CC(C)CCOC(CN)CN 34a_100000031598_100000210312 [0,2,0,0,0,0|1,0,1]=4 5480 B10R0.77 CC(C)CCO[C@@H](CF)CCl 34a_100015614560_100000210312 [0,2,0,0,0,0|1,0,1]=4 5481 B10R0.77 CC(C)CCO[C@@H](CF)CCl 7a_100015614560_100000210626 [0,2,0,0,0,0|1,0,1]=4 5482 B10R0.77 CCC(CC)COCC(=O)C 34a_100000211253_100011215472 [0,2,0,0,0,0|2,0,0]=4 5483 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000688536_100000053229 [0,2,0,0,0,0|2,0,0]=4 5484 B10R0.77 CCC(CC)OCCC(=O)C 7a_100000759926_100000210505 [0,2,0,0,0,0|2,0,0]=4 5485 B10R0.77 CCC(CC)OCCC(C)C 7a_100000210254_100000210505 [0,2,0,0,0,0|1,0,1]=4 5486 B10R0.77 CCC(CC)OCCC(C)C 7a_100000688536_100000210626 [0,2,0,0,0,0|1,0,1]=4 5487 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000053229_100000210505 [0,2,0,0,0,0|2,0,0]=4 5488 B10R0.77 CCC(CC)SCCC(=O)C 62a_100000210505_100000053229 [0,2,0,0,0,0|2,0,0]=4 5489 B10R0.77 CCC(CC)SCOC(=O)C 62a_100000076356_100000210505 [0,2,0,0,0,0|1,0,0]=3 5490 B10R0.77 CCC(CC)SCOC(=O)C 62a_100000210505_100000076356 [0,2,0,0,0,0|1,0,0]=3 5491 B10R0.77 CCN(CC)CCCC(=O)C 1458a_100000070787_100000709985 [0,2,0,0,0,0|2,0,0]=4 5492 B10R0.77 CCN(CC)CCCC(=O)C 1458a_100076194134_200000210301 [0,2,0,0,0,0|2,0,0]=4 5493 B10R0.77 CCN(CC)CCCC(=O)C 269956a_100000042499_100011215641 [0,2,0,0,0,0|2,0,0]=4 5494 B10R0.77 CCN(CC)CCCC(=O)C 269982a_100000724800_100011215641 [0,2,0,0,0,0|2,0,0]=4 5495 B10R0.77 CCN(CC)CCCC(=O)[13CH3] 1458a_100076194134_200025704644 [0,2,0,0,0,0|2,0,0]=4 5496 B10R0.77 CCN(CC)CCNC(=O)C 1626a_100015382049_100015343762 [0,2,0,0,0,0|2,0,0]=4 5497 B10R0.77 CCN(CC)CCNC(=O)C 2230a_100000724800_100000189650 [0,2,0,0,0,0|2,0,0]=4 5498 B10R0.77 CCN(CC)CCNC(=O)C 240690a_100015382049_100015343762 [0,2,0,0,0,0|2,0,0]=4 5499 B10R0.77 CCN(CC)CCNC(=O)C 269956a_100000042499_100000189650 [0,2,0,0,0,0|2,0,0]=4 5500 B10R0.77 CCN(CC)CCNC(=O)C 269982a_100000724800_100000189650 [0,2,0,0,0,0|2,0,0]=4 5501 B10R0.77 CCN(CC)CCNC(=O)C 527a_100015382049_100103153847 [0,2,0,0,0,0|2,0,0]=4 5502 B10R0.77 CCN(CC)CCOC(=O)C 269956a_100000042499_100009814007 [0,2,0,0,0,0|1,0,0]=3 5503 B10R0.77 CCN(CC)CCOC(=O)C 269982a_100000724800_100009814007 [0,2,0,0,0,0|1,0,0]=3 5504 B10R0.77 CCN(CC)CCOC(=O)N 269982a_100000724800_200011214921 [0,2,0,0,0,0|2,0,0]=4 5505 B10R0.77 COC(CCCC(=O)C)OC 1458a_100000070787_100000069011 [0,2,0,0,0,0|1,0,0]=3 5506 B10R0.77 COC(CCOC(C)C)OC 34a_100000212225_100000139399 [0,2,0,0,0,0|1,0,1]=4 5507 B10R0.77 COC(COCC(=O)C)OC 34a_100000211253_100000211822 [0,2,0,0,0,0|2,0,0]=4 5508 B10R0.82 C#CC(C)OC[C@H](N)C(C)C 34a_100011830312_200000035995 [0,2,0,0,0,0|1,0,1]=4 5509 B10R0.82 C=CC(=O)NCC(O)C(C)C 240690a_100000759067_200121576911 [0,2,0,0,0,0|1,0,1]=4 5510 B10R0.82 CC(=O)C(=O)COC(C)CF 34a_100016041109_100011261029 [0,2,0,0,0,0|2,0,0]=4 5511 B10R0.82 CC(=O)C(=O)COC(C)CN 34a_100000210904_100011261029 [0,2,0,0,0,0|2,0,0]=4 5512 B10R0.82 CC(=O)C(=O)CSC(C)CO 62a_100012180447_100011261029 [0,2,0,0,0,0|2,0,0]=4 5513 B10R0.82 CC(=O)C(=O)CS[C@H](C)CO 62a_100011261029_100016084084 [0,2,0,0,0,0|2,0,0]=4 5514 B10R0.82 CC(=O)C(=O)CS[C@H](C)CO 62a_100016084084_100011261029 [0,2,0,0,0,0|2,0,0]=4 5515 B10R0.82 CC(=O)C(C)COC(C)CO 34a_100000032740_100012180447 [0,2,0,0,0,0|2,0,0]=4 5516 B10R0.82 CC(=O)C(C)COC(C)CO 7a_100000032740_100012180447 [0,2,0,0,0,0|2,0,0]=4 5517 B10R0.82 CC(=O)C(C)OC[C@@H](C)CO 34a_100000212229_100000059175 [0,2,0,0,0,0|2,0,0]=4 5518 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100000059175_100009814033 [0,2,0,0,0,0|2,0,0]=4 5519 B10R0.82 CC(=O)C(C)SC[C@@H](C)CO 62a_100009814033_100000059175 [0,2,0,0,0,0|2,0,0]=4 5520 B10R0.82 CC(C)C(O)CNC(=O)CO 240690a_100000759067_100000210174 [0,2,0,0,0,0|1,0,0]=3 5521 B10R0.82 CC(C)C(O)CNC(=O)CO 527a_100000759067_100000210174 [0,2,0,0,0,0|1,0,0]=3 5522 B10R0.82 CC(C)N(C)CCC(=O)CF 1458a_100015184040_100015361967 [0,2,0,0,0,0|2,0,0]=4 5523 B10R0.82 CC(CO)OC[C@H](N)C(C)C 34a_100011830312_100012180447 [0,2,0,0,0,0|0,0,2]=4 5524 B10R0.82 CCC(=O)CCN(C)C(C)C 1458a_100015184040_100000210202 [0,2,0,0,0,0|2,0,0]=4 5525 B10R0.82 CCC(=O)COC(C)C(C)C 7a_100000748068_100000747405 [0,2,0,0,0,0|2,0,0]=4 5526 B10R0.82 CCC(=O)NCC(=O)C(C)C 1458a_100000194589_100000210206 [0,2,0,0,0,0|1,0,1]=4 5527 B10R0.82 CCC(=O)NCC(O)C(C)C 11a_100000759067_100000210414 [0,2,0,0,0,0|1,0,0]=3 5528 B10R0.82 CCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210414 [0,2,0,0,0,0|1,0,0]=3 5529 B10R0.82 CCC(=O)NCC(O)C(C)C 527a_100000759067_100000210414 [0,2,0,0,0,0|1,0,0]=3 5530 B10R0.82 CCC(C)CNC(C)C(=O)C 2230a_100020588543_100009814033 [0,2,0,0,0,0|2,0,0]=4 5531 B10R0.82 CCC(C)COC(C)C(=O)C 34a_100000212229_100000748023 [0,2,0,0,0,0|2,0,0]=4 5532 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100000748023_100009814033 [0,2,0,0,0,0|2,0,0]=4 5533 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100009814033_100000748023 [0,2,0,0,0,0|2,0,0]=4 5534 B10R0.82 CCC(C)OCC(C)C(=O)C 34a_100000032740_100011215416 [0,2,0,0,0,0|2,0,0]=4 5535 B10R0.82 CCC(C)OCC(C)C(=O)C 7a_100000032740_100000758301 [0,2,0,0,0,0|2,0,0]=4 5536 B10R0.82 CCC(C)OC[C@H](N)C(C)C 34a_100011830312_100011215416 [0,2,0,0,0,0|1,0,1]=4 5537 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100000758301_100011261029 [0,2,0,0,0,0|2,0,0]=4 5538 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100011261029_100000758301 [0,2,0,0,0,0|2,0,0]=4 5539 B10R0.82 CC[C@H](C)COC(C)C(=O)C 34a_100000212229_100009816398 [0,2,0,0,0,0|2,0,0]=4 5540 B10R0.82 CC[C@H](C)COC(C)C(=O)C 7a_100009816381_100000179758 [0,2,0,0,0,0|2,0,0]=4 5541 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009814033_100009816398 [0,2,0,0,0,0|2,0,0]=4 5542 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009816398_100009814033 [0,2,0,0,0,0|2,0,0]=4 5543 B10R0.82 CNC(=O)CCC(=O)C(C)C 1458a_100011309844_100000210206 [0,2,0,0,0,0|1,0,1]=4 5544 B10R0.82 CNC(=O)CCN(C)C(C)C 1626a_100102657272_100015184040 [0,2,0,0,0,0|2,0,0]=4 5545 B10R0.82 CNC(=O)CCN(C)C(C)C 2230a_100000750875_100000210206 [0,2,0,0,0,0|2,0,0]=4 5546 B10R0.82 CNC(=O)CCN(C)C(C)C 240690a_100102657272_100015184040 [0,2,0,0,0,0|2,0,0]=4 5547 B10R0.82 CNC(=O)CCN(C)C(C)C 269982a_100000750875_100000210206 [0,2,0,0,0,0|2,0,0]=4 5548 B10R0.82 CNC(=O)CCN(C)C(C)C 269982a_200000211004_100000737683 [0,2,0,0,0,0|2,0,0]=4 5549 B10R0.82 CNC(=O)CNC(C)C(C)C 2230a_100000211541_100000183359 [0,2,0,0,0,0|2,0,0]=4 5550 B10R0.82 CNC(=O)COC(C)C(C)C 7a_100000748068_100000183359 [0,2,0,0,0,0|2,0,0]=4 5551 B10R0.82 CNC(=O)NCC(O)C(C)C 2708a_100102657272_100000759067 [0,2,0,0,0,0|1,0,0]=3 5552 B10R0.82 CNC(=O)NCC(O)C(C)C 273464a_100000759067_100102657272 [0,2,0,0,0,0|1,0,0]=3 5553 B10R0.82 CNC(=O)NCC(O)C(C)C 273464a_100102657272_100000759067 [0,2,0,0,0,0|1,0,0]=3 5554 B10R0.82 CNC(=O)NCC(O)C(C)C 512a_100000759067_100102657272 [0,2,0,0,0,0|1,0,0]=3 5555 B10R0.82 CNC(=O)NCC(O)C(C)C 512a_106832991638_100000759067 [0,2,0,0,0,0|1,0,0]=3 5556 B10R0.82 COC(=O)CCC(=O)C(C)C 1458a_100000187943_100000210206 [0,2,0,0,0,0|1,0,1]=4 5557 B10R0.82 COC(=O)CCN(C)C(C)C 2230a_100000228967_200000210301 [0,2,0,0,0,0|2,0,0]=4 5558 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_100000228967_200000210301 [0,2,0,0,0,0|2,0,0]=4 5559 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_100025711912_100000210206 [0,2,0,0,0,0|2,0,0]=4 5560 B10R0.82 COC(=O)CCN(C)C(C)C 269982a_200000211004_100000204255 [0,2,0,0,0,0|2,0,0]=4 5561 B10R0.82 COC(=O)CCN([13CH3])C(C)C 2230a_100000228967_200025704644 [0,2,0,0,0,0|2,0,0]=4 5562 B10R0.82 COC(=O)CCN([13CH3])C(C)C 269982a_100000228967_200025704644 [0,2,0,0,0,0|2,0,0]=4 5563 B10R0.82 COC(=O)CNC(C)C(C)C 2230a_100000211541_100000747449 [0,2,0,0,0,0|2,0,0]=4 5564 B10R0.82 COC(=O)COC(C)C(C)C 7a_100000748068_100000747449 [0,2,0,0,0,0|2,0,0]=4 5565 B10R0.82 COC(=O)NCC(=O)C(C)C 1458a_100000215747_100000210206 [0,2,0,0,0,0|1,0,1]=4 5566 B10R0.82 COC(C)SCC(=O)C(=O)C 62a_100009879195_100011261029 [0,2,0,0,0,0|2,0,0]=4 5567 B10R0.82 COC(C)SCC(=O)C(=O)C 62a_100011261029_100009879195 [0,2,0,0,0,0|2,0,0]=4 5568 B10R0.82 CO[C@H](C)CNC(C)C(=O)C 2230a_100020591295_100009814033 [0,2,0,0,0,0|2,0,0]=4 5569 B10R0.12 CC(=O)CCN(C)C(C)(C)C 269982a_100011215553_100000053229 [0,2,0,0,0,0|2,0,0]=4 5570 B10R0.12 CC(=O)NC[C@@H](F)C(C)(C)O 1626a_100015379105_100015343762 [0,2,0,0,0,0|1,0,0]=3 5571 B10R0.12 CC(=O)NC[C@@H](F)C(C)(C)O 527a_100015379105_100103153847 [0,2,0,0,0,0|1,0,0]=3 5572 B10R0.12 CC(=O)OCN(C)C(C)(C)C 269982a_100011215553_100000076356 [0,2,0,0,0,0|1,0,0]=3 5573 B10R0.12 CC(C)CCN(C)S(=O)(=O)C 40a_100000742789_100000738038 [0,2,0,0,0,0|2,0,0]=4 5574 B10R0.13 C=C(C)C(=O)C(C)CC(C)C 1458a_100000185857_100000731052 [0,2,0,0,0,0|2,0,0]=4 5575 B10R0.13 CC(=O)C(C)C(=O)CC(C)C 1458a_100000210554_100000179758 [0,2,0,0,0,0|1,0,1]=4 5576 B10R0.13 CC(=O)C(C)N(C)CC(C)C 2230a_100000747067_100009814033 [0,2,0,0,0,0|2,0,0]=4 5577 B10R0.13 CC(=O)C(C)N(C)CC(C)C 269982a_100000747067_100009814033 [0,2,0,0,0,0|2,0,0]=4 5578 B10R0.13 CC(=O)N(C)C(C)CC(C)C 11a_100000745462_100015343762 [0,2,0,0,0,0|1,0,0]=3 5579 B10R0.13 CC(=O)N(C)C(C)CC(C)C 1626a_100000745462_100015343762 [0,2,0,0,0,0|1,0,0]=3 5580 B10R0.13 CC(=O)N(C)C(C)CC(C)C 240690a_100000745462_100015343762 [0,2,0,0,0,0|1,0,0]=3 5581 B10R0.13 CC(=O)N(C)C(C)CC(C)C 527a_100000745462_100103153847 [0,2,0,0,0,0|1,0,0]=3 5582 B10R0.13 CC(=O)N[C@H](C)C(=O)C(C)C 1458a_100011504603_100000210206 [0,2,0,0,0,0|1,0,1]=4 5583 B10R0.13 CC(=O)OC(C)C(=O)C(C)C 1458a_100000210198_100009818208 [0,2,0,0,0,0|0,0,1]=3 5584 B10R0.13 CC(=O)OC(C)C(=O)C(C)F 1458a_100000062450_100009818208 [0,2,0,0,0,0|1,0,1]=4 5585 B10R0.13 CC(=O)OC(C)C(=O)[C@@H](C)O 1458a_100000717761_100009818208 [0,2,0,0,0,0|1,0,1]=4 5586 B10R0.13 CC(=O)OC(C)C(=O)[C@H](C)O 1458a_217856618621_100009818208 [0,2,0,0,0,0|1,0,1]=4 5587 B10R0.13 CC(=O)OC(C)N(C)C(C)C 269982a_200000211004_100009818208 [0,2,0,0,0,0|1,0,0]=3 5588 B10R0.13 CC(=O)O[C@@H](C)C(=O)C(C)C 1458a_100009816467_100000210206 [0,2,0,0,0,0|0,0,1]=3 5589 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 11a_100102631434_100009816467 [0,2,0,0,0,0|1,0,1]=4 5590 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 1626a_100102631434_100009816467 [0,2,0,0,0,0|1,0,1]=4 5591 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 240690a_100102631434_100009816467 [0,2,0,0,0,0|1,0,1]=4 5592 B10R0.13 CC(=O)O[C@@H](C)C(=O)N(C)C 527a_100102631434_100009816467 [0,2,0,0,0,0|1,0,1]=4 5593 B10R0.43 CC(=O)C(C)(C)CCC(C)C 1458a_100000070787_200000037585 [0,2,0,0,0,0|1,0,0]=3 5594 B10R0.43 CC(=O)C(C)(C)OCC(C)C 34a_100000747739_100000210624 [0,2,0,0,0,0|2,0,0]=4 5595 B10R0.43 CC(=O)C(C)(C)OCC(C)C 7a_100000747739_100000210760 [0,2,0,0,0,0|2,0,0]=4 5596 B10R0.43 CC(=O)C(C)(C)SCC(C)C 62a_100000075568_100000210760 [0,2,0,0,0,0|2,0,0]=4 5597 B10R0.43 CC(=O)C(C)(C)SCC(C)C 62a_100000210624_100000075568 [0,2,0,0,0,0|2,0,0]=4 5598 B10R0.43 CC(=O)NCC(C)(C)N(C)C 1626a_100153394228_100015343762 [0,2,0,0,0,0|2,0,0]=4 5599 B10R0.43 CC(=O)NCC(C)(C)N(C)C 240690a_100153394228_100015343762 [0,2,0,0,0,0|2,0,0]=4 5600 B10R0.43 CC(=O)NCC(C)(C)N(C)C 527a_100153394228_100103153847 [0,2,0,0,0,0|2,0,0]=4 5601 B10R0.84 CC(=O)NCC(CO)C(C)C 240690a_100000692819_100015343762 [0,2,0,0,0,0|1,0,0]=3 5602 B10R0.84 CC(=O)NCC(CO)C(C)C 527a_100000692819_100103153847 [0,2,0,0,0,0|1,0,0]=3 5603 B10R0.84 CC(C)OCC(CN)C(C)C 34a_100000692819_100000210206 [0,2,0,0,0,0|1,0,1]=4 5604 B10R0.84 CCC(CNC(=O)C)N(C)C 11a_100000738386_100015343762 [0,2,0,0,0,0|2,0,0]=4 5605 B10R0.84 CCC(CNC(=O)C)N(C)C 1626a_100000738386_100015343762 [0,2,0,0,0,0|2,0,0]=4 5606 B10R0.84 CCC(CNC(=O)C)N(C)C 240690a_100000738386_100015343762 [0,2,0,0,0,0|2,0,0]=4 5607 B10R0.84 CCC(COC(C)C)C(C)C 34a_100011995916_100000210206 [0,2,0,0,0,0|1,0,1]=4 5608 B10R0.84 CCC(COC(C)C)C(C)C 7a_100011995916_100000210206 [0,2,0,0,0,0|1,0,1]=4 5609 B10R0.84 CCN(CCC(=O)C)C(C)C 269982a_100000223864_100000053229 [0,2,0,0,0,0|2,0,0]=4 5610 B10R0.84 CCN(CCC(C)C)C(=O)C 11a_100000207693_100015343762 [0,2,0,0,0,0|1,0,0]=3 5611 B10R0.84 CCN(CCC(C)C)C(=O)C 1626a_100000207693_100015343762 [0,2,0,0,0,0|1,0,0]=3 5612 B10R0.84 CCN(CCC(C)C)C(=O)C 240690a_100000207693_100015343762 [0,2,0,0,0,0|1,0,0]=3 5613 B10R0.84 CCN(CCC(C)C)C(=O)C 527a_100000207693_100103153847 [0,2,0,0,0,0|1,0,0]=3 5614 B10R0.84 CCN(CCN(C)C)C(=O)C 240690a_100000225870_100015343762 [0,2,0,0,0,0|2,0,0]=4 5615 B10R0.84 CCN(COC(=O)C)C(C)C 269982a_100000223864_100000076356 [0,2,0,0,0,0|1,0,0]=3 5616 B10R0.92 C=C(C)C(=O)CCC(C)(C)C 1458a_100000185857_100000755188 [0,2,0,0,0,0|2,0,0]=4 5617 B10R0.92 CC(=O)C(=O)COC(C)(C)C 34a_100015890283_100011261029 [0,2,0,0,0,0|2,0,0]=4 5618 B10R0.92 CC(=O)C(=O)CSC(C)(C)C 62a_100000211941_100011261029 [0,2,0,0,0,0|2,0,0]=4 5619 B10R0.92 CC(=O)C(=O)CSC(C)(C)C 62a_100011261029_100000211941 [0,2,0,0,0,0|2,0,0]=4 5620 B10R0.92 CC(=O)C(C)COC(C)(C)C 34a_100000032740_100000210625 [0,2,0,0,0,0|2,0,0]=4 5621 B10R0.92 CC(=O)C(C)NCC(C)(C)C 2230a_100000743828_100009814033 [0,2,0,0,0,0|2,0,0]=4 5622 B10R0.92 CC(=O)C(C)NCC(C)(C)F 2230a_100020643315_100009814033 [0,2,0,0,0,0|2,0,0]=4 5623 B10R0.92 CC(=O)C(C)NCC(C)(C)O 2230a_100000751335_100009814033 [0,2,0,0,0,0|2,0,0]=4 5624 B10R0.92 CC(=O)C(C)OCC(C)(C)C 34a_100000212229_100011219605 [0,2,0,0,0,0|2,0,0]=4 5625 B10R0.92 CC(=O)C(C)OCC(C)(C)F 34a_100000212229_100011997219 [0,2,0,0,0,0|2,0,0]=4 5626 B10R0.92 CC(=O)C(C)OCC(C)(C)O 34a_100000212229_100000764493 [0,2,0,0,0,0|2,0,0]=4 5627 B10R0.92 CC(=O)C(C)SCC(C)(C)C 62a_100009814033_100011219605 [0,2,0,0,0,0|2,0,0]=4 5628 B10R0.92 CC(=O)C(C)SCC(C)(C)C 62a_100011219605_100009814033 [0,2,0,0,0,0|2,0,0]=4 5629 B10R0.92 CC(=O)C(C)SCC(C)(C)F 62a_100009814033_100011997219 [0,2,0,0,0,0|2,0,0]=4 5630 B10R0.92 CC(=O)C(C)SCC(C)(C)F 62a_100011997219_100009814033 [0,2,0,0,0,0|2,0,0]=4 5631 B10R0.92 CC(=O)C(C)SCC(C)(C)O 62a_100000764493_100009814033 [0,2,0,0,0,0|2,0,0]=4 5632 B10R0.92 CC(=O)C(C)SCC(C)(C)O 62a_100009814033_100000764493 [0,2,0,0,0,0|2,0,0]=4 5633 B10R0.92 CC(C)C(O)CNS(=O)(=O)C 40a_100000759067_100000738038 [0,2,0,0,0,0|2,0,0]=4 5634 B10R0.92 CC(C)[C@@H](N)COC(C)(C)C 34a_100011830312_100000210625 [0,2,0,0,0,0|1,0,1]=4 5635 B10R0.93 CC(=O)C(=O)CC(=O)C(C)C 1458a_100000210198_100011261029 [0,2,0,0,0,0|1,0,1]=4 5636 B10R0.93 CC(=O)C(=O)CN(C)C(C)C 269982a_200000211004_100011261029 [0,2,0,0,0,0|2,0,0]=4 5637 B10R0.93 CC(=O)C(C)CN(C)C(C)C 1458a_100015184680_200000210301 [0,2,0,0,0,0|2,0,0]=4 5638 B10R0.93 CC(=O)C(C)NC(C)C(C)C 2230a_100000211541_100009814033 [0,2,0,0,0,0|2,0,0]=4 5639 B10R0.93 CC(=O)C(C)OC(C)C(C)C 7a_100000748068_100000179758 [0,2,0,0,0,0|2,0,0]=4 5640 B10R0.93 CC(=O)N(C)CC(=O)C(C)C 1458a_100000194957_100000210206 [0,2,0,0,0,0|1,0,1]=4 5641 B10R0.93 CC(CN(C)C(C)C)C(=O)[13CH3] 1458a_100015184680_200025704644 [0,2,0,0,0,0|2,0,0]=4 5642 B10R0.31 CC(=O)CC(C)CC(C)(C)C 1458a_100000239893_200000210301 [0,2,0,0,0,0|1,0,0]=3 5643 B10R0.31 CC(=O)CC(O)C[N+](C)(C)C 1458a_100000070787_100000032816 [0,2,0,0,0,0|2,0,0]=4 5644 B10R0.31 CC(=O)C[C@@H](O)C[N+](C)(C)C 1458a_100000004043_200000210301 [0,2,0,0,0,0|2,0,0]=4 5645 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 11a_106358413534_100015343762 [0,2,0,0,0,0|1,0,0]=3 5646 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 1626a_106358413534_100015343762 [0,2,0,0,0,0|1,0,0]=3 5647 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 240690a_106358413534_100015343762 [0,2,0,0,0,0|1,0,0]=3 5648 B10R0.31 CC(=O)N[C@@H](C)CC(C)(C)C 527a_106358413534_100103153847 [0,2,0,0,0,0|1,0,0]=3 5649 B10R0.31 CC(=O)OC(C)SC(C)(C)C 62a_100000211941_100009818208 [0,2,0,0,0,0|1,0,0]=3 5650 B10R0.31 CC(=O)OC(C)SC(C)(C)C 62a_100009818208_100000211941 [0,2,0,0,0,0|1,0,0]=3 5651 B10R0.31 CC(C)CC(C)NS(=O)(=O)C 40a_100000692259_100000738038 [0,2,0,0,0,0|2,0,0]=4 5652 B10R0.31 CC(C)CC(C)OC(C)(C)C 34a_100000211805_100000210625 [0,2,0,0,0,0|1,0,1]=4 5653 B10R0.31 CC(C)CC(C)OC(C)(C)C 34a_100015890283_100000731052 [0,2,0,0,0,0|1,0,1]=4 5654 B10R0.31 CC(C)CC(C)OC(C)(C)C 7a_100015890283_100000731052 [0,2,0,0,0,0|1,0,1]=4 5655 B10R0.31 CC(C)OC(C)CC(C)(C)C 7a_200011218616_100000210206 [0,2,0,0,0,0|1,0,1]=4 5656 B10R0.31 CC(CC(=O)[13CH3])CC(C)(C)C 1458a_100000239893_200025704644 [0,2,0,0,0,0|1,0,0]=3 5657 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[13CH3] 1458a_100000004043_200025704644 [0,2,0,0,0,0|2,0,0]=4 5658 B10R0.70 C#CC(CC(C)C)OC(C)C 34a_100011215986_100000210206 [0,2,0,0,0,0|1,0,1]=4 5659 B10R0.70 C#CC(CC(C)C)OC(C)C 7a_100011215986_100000210206 [0,2,0,0,0,0|1,0,1]=4 5660 B10R0.70 C=CC(CC(C)C)OC(C)C 34a_100012186643_100000210206 [0,2,0,0,0,0|1,0,1]=4 5661 B10R0.70 C=CC(CC(C)C)OC(C)C 7a_100012186643_100000210206 [0,2,0,0,0,0|1,0,1]=4 5662 B10R0.70 CC(=O)NC(C#N)CC(C)C 11a_100000741378_100015343762 [0,2,0,0,0,0|1,0,0]=3 5663 B10R0.70 CC(=O)NC(C#N)CC(C)C 1626a_100000741378_100015343762 [0,2,0,0,0,0|1,0,0]=3 5664 B10R0.70 CC(=O)NC(C#N)CC(C)C 240690a_100000741378_100015343762 [0,2,0,0,0,0|1,0,0]=3 5665 B10R0.70 CC(=O)NC(C#N)CC(C)C 527a_100000741378_100103153847 [0,2,0,0,0,0|1,0,0]=3 5666 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100015343762 [0,2,0,0,0,0|1,0,0]=3 5667 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100103153847 [0,2,0,0,0,0|1,0,0]=3 5668 B10R0.70 CC(C)CC(C#N)OC(C)C 34a_200011294978_100000210206 [0,2,0,0,0,0|1,0,1]=4 5669 B10R0.70 CC(C)CC(C#N)OC(C)C 7a_200011294978_100000210206 [0,2,0,0,0,0|1,0,1]=4 5670 B10R0.165 CC(=O)CC(C)(C)OC(C)C 7a_100000210262_100000210206 [0,2,0,0,0,0|2,0,0]=4 5671 B10R0.165 CC(=O)CS(=O)(=O)CC(C)C 1458a_200000740652_200000210301 [0,2,0,0,0,0|2,0,0]=4 5672 B10R0.165 CC(=O)NC(C)(C)CC(C)C 11a_100011346068_100015343762 [0,2,0,0,0,0|1,0,0]=3 5673 B10R0.165 CC(=O)NC(C)(C)CC(C)C 1626a_100011346068_100015343762 [0,2,0,0,0,0|1,0,0]=3 5674 B10R0.165 CC(=O)NC(C)(C)CC(C)C 240690a_100011346068_100015343762 [0,2,0,0,0,0|1,0,0]=3 5675 B10R0.165 CC(=O)NC(C)(C)CC(C)C 527a_100011346068_100103153847 [0,2,0,0,0,0|1,0,0]=3 5676 B10R0.165 CC(=O)NC(C)(C)CN(C)C 11a_100015183317_100015343762 [0,2,0,0,0,0|2,0,0]=4 5677 B10R0.165 CC(=O)NC(C)(C)CN(C)C 1626a_100015183317_100015343762 [0,2,0,0,0,0|2,0,0]=4 5678 B10R0.165 CC(=O)NC(C)(C)CN(C)C 240690a_100015183317_100015343762 [0,2,0,0,0,0|2,0,0]=4 5679 B10R0.165 CC(=O)NC(C)(C)CN(C)C 527a_100015183317_100103153847 [0,2,0,0,0,0|2,0,0]=4 5680 B10R0.165 CC(=O)NS(=O)(=O)CC(C)C 2740a_100000748329_100015343762 [0,2,0,0,0,0|2,0,0]=4 5681 B10R0.165 CC(C)CS(=O)(=O)CC(=O)[13CH3] 1458a_200000740652_200025704644 [0,2,0,0,0,0|2,0,0]=4 5682 B10R0.113 CC(C)(C)CCNS(=O)(=O)C 40a_100000738805_100000738038 [0,2,0,0,0,0|2,0,0]=4 5683 B10R0.113 CC(C)(C)CCOC(C)(C)C 34a_100015890283_100000755188 [0,2,0,0,0,0|1,0,1]=4 5684 B10R0.113 CC(C)(C)CCOC(C)(C)C 7a_100015890283_100000755188 [0,2,0,0,0,0|1,0,1]=4 5685 B10R0.113 CC(C)(F)CCNS(=O)(=O)C 40a_100016253952_100000738038 [0,2,0,0,0,0|2,0,0]=4 5686 B10R0.113 CC(C)(O)CCNS(=O)(=O)C 40a_100000707701_100000738038 [0,2,0,0,0,0|2,0,0]=4 5687 B10R0.113 CC(C)(O)CCOC(C)(C)C 34a_100015890283_100000702414 [0,2,0,0,0,0|1,0,1]=4 5688 B10R0.113 CC(C)(O)CCOC(C)(C)C 7a_100015890283_100000702414 [0,2,0,0,0,0|1,0,1]=4 5689 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [1,0,0,1,0,0|2,0,0]=4 5690 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [1,0,0,1,0,0|1,0,1]=4 5691 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [1,0,0,1,0,0|1,0,1]=4 5692 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [1,0,0,1,0,0|1,0,1]=4 5693 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [1,0,0,1,0,0|2,0,0]=4 5694 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [1,0,0,1,0,0|2,0,0]=4 5695 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [1,0,0,1,0,0|2,0,0]=4 5696 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [1,0,0,1,0,0|2,0,0]=4 5697 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|2,0,0]=4 5698 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [1,0,0,1,0,0|2,0,0]=4 5699 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [1,0,0,1,0,0|2,0,0]=4 5700 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [1,0,0,1,0,0|2,0,0]=4 5701 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [1,0,0,1,0,0|2,0,0]=4 5702 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [1,0,0,1,0,0|2,0,0]=4 5703 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|2,0,0]=4 5704 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [1,0,0,1,0,0|2,0,0]=4 5705 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [1,0,0,1,0,0|2,0,0]=4 5706 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [1,0,0,1,0,0|2,0,0]=4 5707 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [1,0,0,1,0,0|2,0,0]=4 5708 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [1,0,0,1,0,0|2,0,0]=4 5709 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [1,0,0,1,0,0|2,0,0]=4 5710 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [1,0,0,1,0,0|2,0,0]=4 5711 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [1,0,0,1,0,0|2,0,0]=4 5712 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [1,0,0,1,0,0|1,0,1]=4 5713 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [1,0,0,1,0,0|1,0,1]=4 5714 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [1,0,0,1,0,0|1,0,1]=4 5715 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [1,0,0,1,0,0|1,0,1]=4 5716 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [1,0,0,1,0,0|1,0,1]=4 5717 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [1,0,0,1,0,0|1,0,1]=4 5718 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [1,0,0,1,0,0|2,0,0]=4 5719 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|1,0,0]=3 5720 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 5721 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 5722 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [1,0,0,1,0,0|2,0,0]=4 5723 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 5724 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 5725 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [1,0,0,1,0,0|2,0,0]=4 5726 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [1,0,0,1,0,0|2,0,0]=4 5727 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|1,0,0]=3 5728 B8R1.6 CC1CN(C1)CC=O 2230a_100000702820_200015260668 [1,0,0,1,0,0|2,0,0]=4 5729 B8R1.6 CC1CN(C1)CC=O 269982a_100000702820_200015260668 [1,0,0,1,0,0|2,0,0]=4 5730 B8R1.6 CC1CN(C1)CC=O 34a_100000702820_200009817547 [1,0,0,1,0,0|2,0,0]=4 5731 B8R1.6 CCOC1CN(C1)C 269982a_100000732654_200000210301 [1,0,0,1,0,0|1,0,1]=4 5732 B8R1.6 CCOC1CN(C1)C 34a_100000732654_200000210301 [1,0,0,1,0,0|1,0,1]=4 5733 B8R1.6 CCOC1CN(C1)[13CH3] 269982a_100000732654_200025704644 [1,0,0,1,0,0|1,0,1]=4 5734 B8R1.6 CCOC1CN(C1)[13CH3] 34a_100000732654_200025704644 [1,0,0,1,0,0|1,0,1]=4 5735 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|2,0,0]=4 5736 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|2,0,0]=4 5737 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|2,0,0]=4 5738 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|2,0,0]=4 5739 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|2,0,0]=4 5740 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|2,0,0]=4 5741 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|2,0,0]=4 5742 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|2,0,0]=4 5743 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|2,0,0]=4 5744 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|1,0,1]=4 5745 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|1,0,0]=3 5746 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|1,0,0]=3 5747 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|2,0,0]=4 5748 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|2,0,0]=4 5749 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|2,0,0]=4 5750 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|1,0,0]=3 5751 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|1,0,0]=3 5752 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [1,0,0,1,0,0|2,0,0]=4 5753 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [1,0,0,1,0,0|2,0,0]=4 5754 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [1,0,0,1,0,0|2,0,0]=4 5755 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|2,0,0]=4 5756 B8R1.7 CC(C)N1CC=CC1 269982a_100015195280_100000210206 [1,0,0,1,0,0|2,0,0]=4 5757 B8R1.7 CN(C)C1CCOC1 2230a_100016988252_200000210301 [1,0,0,1,0,0|1,0,1]=4 5758 B8R1.7 CN(C)C1CCOC1 2230a_100102631434_100000731011 [1,0,0,1,0,0|1,0,1]=4 5759 B8R1.7 CN(C)C1CCOC1 269982a_100016988252_200000210301 [1,0,0,1,0,0|1,0,1]=4 5760 B8R1.7 CN(C)C1CCOC1 269982a_100102631434_100000731011 [1,0,0,1,0,0|1,0,1]=4 5761 B8R1.7 CN(C)C1CCOC1 270004a_100102631434_100000752484 [1,0,0,1,0,0|1,0,1]=4 5762 B8R1.7 CN(C)C1CCOC1 34a_100016988252_200000210301 [1,0,0,1,0,0|1,0,1]=4 5763 B8R1.7 CN([13CH3])C1CCOC1 2230a_100016988252_200025704644 [1,0,0,1,0,0|1,0,1]=4 5764 B8R1.7 CN([13CH3])C1CCOC1 269982a_100016988252_200025704644 [1,0,0,1,0,0|1,0,1]=4 5765 B8R1.7 CN([13CH3])C1CCOC1 34a_100016988252_200025704644 [1,0,0,1,0,0|1,0,1]=4 5766 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|1,0,1]=4 5767 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|1,0,0]=3 5768 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|2,0,0]=4 5769 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|2,0,0]=4 5770 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|2,0,0]=4 5771 B8R1.9 CC1CC1COCF 34a_100000744939_100015361967 [1,0,0,1,0,0|1,0,1]=4 5772 B8R1.9 CC1CC1COCF 7a_100000744939_100015361967 [1,0,0,1,0,0|1,0,1]=4 5773 B8R1.9 CCOCC1CC1C 34a_100000744939_100000210202 [1,0,0,1,0,0|0,0,1]=3 5774 B8R1.9 CCOCC1CC1C 7a_100000744939_100000210202 [1,0,0,1,0,0|0,0,1]=3 5775 B8R1.19 CC1(CCCN1[13CH3])C 2230a_100000761399_200025704644 [1,0,0,1,0,0|2,0,0]=4 5776 B8R1.19 CC1(CCCN1[13CH3])C 269982a_100000761399_200025704644 [1,0,0,1,0,0|2,0,0]=4 5777 B8R1.19 CC1(CCCN1[13CH3])C 34a_100000761399_200025704644 [1,0,0,1,0,0|2,0,0]=4 5778 B8R1.19 CN1CCCC1(C)C 2230a_100000761399_200000210301 [1,0,0,1,0,0|2,0,0]=4 5779 B8R1.19 CN1CCCC1(C)C 269982a_100000761399_200000210301 [1,0,0,1,0,0|2,0,0]=4 5780 B8R1.19 CN1CCCC1(C)C 34a_100000761399_200000210301 [1,0,0,1,0,0|2,0,0]=4 5781 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [1,0,0,1,0,0|2,0,0]=4 5782 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [1,0,0,1,0,0|2,0,0]=4 5783 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 5784 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 5785 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 5786 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [1,0,0,1,0,0|2,0,0]=4 5787 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [1,0,0,1,0,0|1,0,1]=4 5788 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [1,0,0,1,0,0|1,0,1]=4 5789 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [1,0,0,1,0,0|1,0,1]=4 5790 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [1,0,0,1,0,0|1,0,1]=4 5791 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [1,0,0,1,0,0|1,0,1]=4 5792 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [1,0,0,1,0,0|1,0,1]=4 5793 B8R1.27 CC1(CC1CO[13CH3])C 34a_100000728257_200025704644 [1,0,0,1,0,0|2,0,0]=4 5794 B8R1.27 CC1(CC1CO[13CH3])C 7a_100000728257_200025704644 [1,0,0,1,0,0|2,0,0]=4 5795 B8R1.27 COCC1CC1(C)C 34a_100000728257_200000210301 [1,0,0,1,0,0|2,0,0]=4 5796 B8R1.27 COCC1CC1(C)C 7a_100000728257_200000210301 [1,0,0,1,0,0|2,0,0]=4 5797 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|1,0,0]=3 5798 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|1,0,0]=3 5799 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|1,0,0]=3 5800 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [1,0,0,1,0,0|2,0,0]=4 5801 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [1,0,0,1,0,0|1,0,1]=4 5802 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|1,0,0]=3 5803 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|1,0,0]=3 5804 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|2,0,0]=4 5805 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|2,0,0]=4 5806 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|2,0,0]=4 5807 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 5808 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 5809 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 5810 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|1,0,0]=3 5811 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 5812 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 5813 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 5814 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [1,0,0,1,0,0|2,0,0]=4 5815 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 5816 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 5817 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 5818 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [1,0,0,1,0,0|2,0,0]=4 5819 B8R1.34 CC(C)OC1CCC1 34a_100000212225_100000749161 [1,0,0,1,0,0|1,0,1]=4 5820 B8R1.34 CC(C)OC1CCC1 34a_100000748187_100000210206 [1,0,0,1,0,0|1,0,1]=4 5821 B8R1.34 CN(C)CC1CCO1 2230a_100102631434_100000103362 [1,0,0,1,0,0|1,0,1]=4 5822 B8R1.34 CN(C)CC1CCO1 269982a_100102631434_100000103362 [1,0,0,1,0,0|1,0,1]=4 5823 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [1,0,0,1,0,0|1,0,1]=4 5824 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|1,0,0]=3 5825 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|2,0,0]=4 5826 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [1,0,0,1,0,0|1,0,1]=4 5827 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|1,0,0]=3 5828 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|1,0,0]=3 5829 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|2,0,0]=4 5830 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|2,0,0]=4 5831 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 5832 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 5833 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 5834 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|1,0,0]=3 5835 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [1,0,0,1,0,0|2,0,0]=4 5836 B8R1.35 CC(C)OCC1CC1 34a_100000211283_100000210206 [1,0,0,1,0,0|1,0,1]=4 5837 B8R1.35 CC(C)OCC1CC1 34a_100000212225_100000742324 [1,0,0,1,0,0|1,0,1]=4 5838 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [1,0,0,1,0,0|1,0,1]=4 5839 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|1,0,0]=3 5840 B8R1.36 C/C=C/CNC1CC1 34a_100000212008_100102629194 [1,0,0,1,0,0|2,0,0]=4 5841 B8R1.36 C/C=C/COC1CC1 34a_100016270725_100000211595 [1,0,0,1,0,0|2,0,0]=4 5842 B8R1.36 C/C=C/CSC1CC1 62a_100102629194_100000211595 [1,0,0,1,0,0|2,0,0]=4 5843 B8R1.36 CC=CCNC1CC1 34a_100000212008_100000070051 [1,0,0,1,0,0|2,0,0]=4 5844 B8R1.36 CC=CCSC1CC1 62a_100000070051_100000211595 [1,0,0,1,0,0|2,0,0]=4 5845 B8R1.36 CC=NNCC1CC1 4a_100000736359_200000210099 [1,0,0,1,0,0|2,0,0]=4 5846 B8R1.36 CCCCOC1CC1 34a_100000210227_100000211595 [1,0,0,1,0,0|1,0,1]=4 5847 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [1,0,0,1,0,0|1,0,1]=4 5848 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [1,0,0,1,0,0|1,0,1]=4 5849 B8R1.36 CCOCCC1CC1 34a_100000754188_100000210202 [1,0,0,1,0,0|0,0,1]=3 5850 B8R1.36 CCOCCC1CC1 34a_100121572206_100000694398 [1,0,0,1,0,0|0,0,1]=3 5851 B8R1.36 CCOCCC1CC1 7a_100000754188_100000210202 [1,0,0,1,0,0|0,0,1]=3 5852 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|1,0,1]=4 5853 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|1,0,1]=4 5854 B8R1.36 CCOCSC1CC1 62a_100000739092_100000211595 [1,0,0,1,0,0|1,0,1]=4 5855 B8R1.36 CCSCCC1CC1 62a_100000210202_100000764125 [1,0,0,1,0,0|0,1,1]=4 5856 B8R1.36 CCSCCC1CC1 62a_100000764125_100000210202 [1,0,0,1,0,0|0,1,1]=4 5857 B8R1.36 FCOCCC1CC1 34a_100000754188_100015361967 [1,0,0,1,0,0|1,0,1]=4 5858 B8R1.36 FCOCCC1CC1 7a_100000754188_100015361967 [1,0,0,1,0,0|1,0,1]=4 5859 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [1,0,0,1,0,0|2,0,0]=4 5860 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [1,0,0,1,0,0|2,0,0]=4 5861 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [1,0,0,1,0,0|2,0,0]=4 5862 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [1,0,0,1,0,0|2,0,0]=4 5863 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [1,0,0,1,0,0|2,0,0]=4 5864 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|1,0,0]=3 5865 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|1,0,0]=3 5866 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,0,0,1,1,0|2,0,0]=4 5867 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,0,0,1,1,0|2,0,0]=4 5868 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,0,0,1,1,0|2,0,0]=4 5869 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,0,0,1,1,0|2,0,0]=4 5870 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,0,0,1,1,0|2,0,0]=4 5871 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,0,0,1,1,0|2,0,0]=4 5872 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,0,0,1,1,0|2,0,0]=4 5873 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,0,0,1,1,0|2,0,0]=4 5874 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,0,0,1,1,0|2,0,0]=4 5875 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,0,0,1,1,0|2,0,0]=4 5876 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,0,0,1,1,0|2,0,0]=4 5877 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,0,0,1,1,0|2,0,0]=4 5878 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,0,0,1,1,0|2,0,0]=4 5879 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,0,0,1,1,0|2,0,0]=4 5880 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,0,0,1,1,0|2,0,0]=4 5881 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,0,0,1,1,0|2,0,0]=4 5882 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,0,0,1,1,0|2,0,0]=4 5883 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,0,0,1,1,0|2,0,0]=4 5884 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,0,0,1,1,0|2,0,0]=4 5885 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,0,0,1,1,0|2,0,0]=4 5886 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,0,0,1,1,0|2,0,0]=4 5887 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,0,0,1,1,0|2,0,0]=4 5888 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,0,0,1,1,0|0,0,2]=4 5889 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,0,0,1,1,0|0,0,2]=4 5890 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,1,1,0|0,0,0]=2 5891 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,0,0,1,1,0|1,0,0]=3 5892 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,0,0,1,1,0|1,0,0]=3 5893 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,0,0,1,1,0|1,0,0]=3 5894 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,0,0,1,1,0|1,0,0]=3 5895 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,0,0,1,1,0|1,0,0]=3 5896 B8R1.23 CC(=O)N1CC(C1)F 11a_100000690557_100015343762 [0,0,0,1,1,0|2,0,0]=4 5897 B8R1.23 CC(=O)N1CC(C1)F 240690a_100000690557_100015343762 [0,0,0,1,1,0|2,0,0]=4 5898 B8R1.23 CC(=O)N1CC(C1)F 527a_100000690557_100103153847 [0,0,0,1,1,0|2,0,0]=4 5899 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,0,0,1,1,0|2,0,0]=4 5900 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,0,0,1,1,0|2,0,0]=4 5901 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,0,0,1,1,0|2,0,0]=4 5902 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,0,0,1,1,0|1,0,0]=3 5903 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,1,1,0|0,0,0]=2 5904 B8R1.23 CN(C)C1CC(=O)C1 269982a_100102631434_100009894365 [0,0,0,1,1,0|1,0,0]=3 5905 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,0,0,1,1,0|2,0,0]=4 5906 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,0,0,1,1,0|1,0,0]=3 5907 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,0,0,1,1,0|1,0,0]=3 5908 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,0,0,1,1,0|1,0,0]=3 5909 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,0,0,1,1,0|2,0,0]=4 5910 B8R1.51 CC1(CCN(C1)[13CH3])C 2230a_100000764714_200025704644 [0,0,0,1,1,0|2,0,0]=4 5911 B8R1.51 CC1(CCN(C1)[13CH3])C 269982a_100000764714_200025704644 [0,0,0,1,1,0|2,0,0]=4 5912 B8R1.51 CN1CCC(C1)(C)C 2230a_100000764714_200000210301 [0,0,0,1,1,0|2,0,0]=4 5913 B8R1.51 CN1CCC(C1)(C)C 269982a_100000764714_200000210301 [0,0,0,1,1,0|2,0,0]=4 5914 B8R1.77 CC(=O)C1CC1(F)F 1458a_100000042250_200000210301 [0,0,0,1,1,0|2,0,0]=4 5915 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,1,0|0,0,0]=2 5916 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,1,0|0,0,0]=2 5917 B8R1.77 [13CH3]C(=O)C1CC1(F)F 1458a_100000042250_200025704644 [0,0,0,1,1,0|2,0,0]=4 5918 B10R1.54 C=C(C)CN1CC[C@H](C1)C 2230a_100016987628_100000748629 [0,0,0,1,0,1|2,0,0]=4 5919 B10R1.54 C=C(C)CN1CC[C@H](C1)C 269982a_100016987628_100000748629 [0,0,0,1,0,1|2,0,0]=4 5920 B10R1.54 C=C(C)CN1CC[C@H](C1)C 34a_100016987628_100000748629 [0,0,0,1,0,1|2,0,0]=4 5921 B10R1.54 CC(=O)CC1CCN(C1)C 1458a_100000070787_200000690779 [0,0,0,1,0,1|2,0,0]=4 5922 B10R1.54 CC(=O)NC1CCN(C1)C 1626a_100000744687_100015343762 [0,0,0,1,0,1|2,0,0]=4 5923 B10R1.54 CC(=O)NC1CCN(C1)C 240690a_100000744687_100015343762 [0,0,0,1,0,1|2,0,0]=4 5924 B10R1.54 CC(=O)NC1CCN(C1)C 527a_100000744687_100103153847 [0,0,0,1,0,1|2,0,0]=4 5925 B10R1.54 CC(=O)N[C@H]1CCN(C1)C 2230a_100016989438_200000210301 [0,0,0,1,0,1|2,0,0]=4 5926 B10R1.54 CC(=O)N[C@H]1CCN(C1)C 269982a_100016989438_200000210301 [0,0,0,1,0,1|2,0,0]=4 5927 B10R1.54 CC(=O)N[C@H]1CCN(C1)[13CH3] 2230a_100016989438_200025704644 [0,0,0,1,0,1|2,0,0]=4 5928 B10R1.54 CC(=O)N[C@H]1CCN(C1)[13CH3] 269982a_100016989438_200025704644 [0,0,0,1,0,1|2,0,0]=4 5929 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [0,0,0,1,0,1|2,0,0]=4 5930 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [0,0,0,1,0,1|2,0,0]=4 5931 B10R1.54 CC(C)CN1CNC(=O)C1 2230a_200000708111_100000210760 [0,0,0,1,0,1|1,0,0]=3 5932 B10R1.54 CC(C)NC1CNC(=O)C1 2230a_100000697751_100000210206 [0,0,0,1,0,1|1,0,0]=3 5933 B10R1.54 CC(C)NC1COC(=O)O1 34a_100138425928_100000032252 [0,0,0,1,0,1|1,0,0]=3 5934 B10R1.54 CC(C)OC1CCC(=O)C1 34a_100012614533_100000210206 [0,0,0,1,0,1|1,0,0]=3 5935 B10R1.54 CC(C)OC1CNC(=O)C1 34a_100000690082_100000210206 [0,0,0,1,0,1|1,0,0]=3 5936 B10R1.54 CC(C)OC1COC(=O)O1 34a_100000212225_100000032252 [0,0,0,1,0,1|1,0,0]=3 5937 B10R1.54 CC(C)SC1COC(=O)O1 62a_100000210206_100000032252 [0,0,0,1,0,1|1,0,0]=3 5938 B10R1.54 CC(O)CN1CNC(=O)C1 2230a_200000708111_100011218427 [0,0,0,1,0,1|2,0,0]=4 5939 B10R1.54 CC1CCC(C1)OC(C)C 34a_100000698185_100000210206 [0,0,0,1,0,1|1,0,1]=4 5940 B10R1.54 CN(C)CC1COC(=O)O1 269982a_100102631434_100000073702 [0,0,0,1,0,1|2,0,0]=4 5941 B10R1.54 CN(C)C[C@H]1COC(=O)N1 2230a_100102631434_100015307671 [0,0,0,1,0,1|2,0,0]=4 5942 B10R1.54 CN(C)C[C@H]1COC(=O)N1 269982a_100102631434_100015307671 [0,0,0,1,0,1|2,0,0]=4 5943 B10R1.54 C[C@@H](O)CN1CNC(=O)C1 2230a_200000708111_100009817552 [0,0,0,1,0,1|2,0,0]=4 5944 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 2230a_100016987628_100000747473 [0,0,0,1,0,1|2,0,0]=4 5945 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 269982a_100016987628_100000187820 [0,0,0,1,0,1|2,0,0]=4 5946 B10R1.54 C[C@@H]1CCN(C1)CC(=O)N 34a_100016987628_100000187820 [0,0,0,1,0,1|2,0,0]=4 5947 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 269982a_100016987628_100020667443 [0,0,0,1,0,1|2,0,0]=4 5948 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 34a_100016987628_100020667443 [0,0,0,1,0,1|2,0,0]=4 5949 B10R1.54 Cc1nc(no1)CC(C)C 270196a_100000210173_100000070787 [0,0,0,1,0,1|1,0,1]=4 5950 B10R1.54 Cc1noc(n1)CC(C)C 270196a_100000212224_100000210554 [0,0,0,1,0,1|1,0,1]=4 5951 B10R1.73 C=C(C)COCC1CC1C 34a_100000744939_100000748629 [0,0,0,1,0,1|1,0,0]=3 5952 B10R1.73 C=C(C)COCC1CC1C 7a_100000744939_100000748629 [0,0,0,1,0,1|1,0,0]=3 5953 B10R1.73 C=C(F)COCC1CC1C 34a_100000744939_100009893438 [0,0,0,1,0,1|1,0,1]=4 5954 B10R1.73 C=C(F)COCC1CC1C 7a_100000744939_100000042424 [0,0,0,1,0,1|1,0,1]=4 5955 B10R1.73 CC(=O)OCN[C@@H]1C[C@H]1F 34a_100025746932_100009813279 [0,0,0,1,0,1|1,0,0]=3 5956 B10R1.73 CC(C)COCC1CC1C 34a_100000744939_100000210624 [0,0,0,1,0,1|1,0,1]=4 5957 B10R1.73 CC(C)COCC1CC1C 7a_100000744939_100000210760 [0,0,0,1,0,1|1,0,1]=4 5958 B10R1.73 CC(O)COCC1CC1C 34a_100000744939_100011218427 [0,0,0,1,0,1|0,0,2]=4 5959 B10R1.73 CC(O)COCC1CC1C 7a_100000744939_100011218427 [0,0,0,1,0,1|0,0,2]=4 5960 B10R1.73 CC1CC1COCC(=O)N 34a_100000744939_100000187820 [0,0,0,1,0,1|1,0,0]=3 5961 B10R1.73 CC1CC1COCC(=O)N 7a_100000744939_100000187820 [0,0,0,1,0,1|1,0,0]=3 5962 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [0,0,0,1,0,1|1,0,0]=3 5963 B10R1.73 CC1CC1COC[C@@H](C)O 34a_100000744939_100009817552 [0,0,0,1,0,1|0,0,2]=4 5964 B10R1.73 CC1CC1COC[C@@H](C)O 7a_100000744939_100009817552 [0,0,0,1,0,1|0,0,2]=4 5965 B10R1.73 CC1CC1COC[N+](=O)[O-] 34a_100000744939_100000761209 [0,0,0,1,0,1|2,0,0]=4 5966 B10R1.82 C=C(C)CCN1CC(C1)C 2230a_100000702820_100000730704 [0,0,0,1,0,1|2,0,0]=4 5967 B10R1.82 C=C(C)CCN1CC(C1)C 269982a_100000702820_100000730704 [0,0,0,1,0,1|2,0,0]=4 5968 B10R1.82 C=C(C)CCN1CC(C1)C 34a_100000702820_100000730704 [0,0,0,1,0,1|2,0,0]=4 5969 B10R1.82 C=C1CC(C1)CNC(C)C 2230a_100102567296_100000210206 [0,0,0,1,0,1|2,0,0]=4 5970 B10R1.82 C=C1CC(C1)CNC(C)C 34a_100102567296_100000210206 [0,0,0,1,0,1|2,0,0]=4 5971 B10R1.82 C=C1CC(C1)COC(C)C 34a_100011011225_100000210206 [0,0,0,1,0,1|2,0,0]=4 5972 B10R1.82 C=C1CC(C1)NCC(C)C 2230a_100132301982_100000210760 [0,0,0,1,0,1|2,0,0]=4 5973 B10R1.82 C=C1CC(C1)NCC(C)C 270004a_100132301982_100000210432 [0,0,0,1,0,1|2,0,0]=4 5974 B10R1.82 CC(=CCN1CC(C1)C)C 2230a_100000702820_100000761012 [0,0,0,1,0,1|2,0,0]=4 5975 B10R1.82 CC(=CCN1CC(C1)C)C 269982a_100000702820_100000761012 [0,0,0,1,0,1|2,0,0]=4 5976 B10R1.82 CC(=CCN1CC(C1)C)C 34a_100000702820_100000761012 [0,0,0,1,0,1|2,0,0]=4 5977 B10R1.82 CC(=O)CCN1CC(C1)C 269982a_100000702820_100000053229 [0,0,0,1,0,1|1,0,0]=3 5978 B10R1.82 CC(=O)CCN1CC(C1)F 269982a_100000690557_100000053229 [0,0,0,1,0,1|2,0,0]=4 5979 B10R1.82 CC(=O)CCN1CC(C1)O 269982a_100000749847_100000053229 [0,0,0,1,0,1|2,0,0]=4 5980 B10R1.82 CC(=O)NCC1CC(C1)O 11a_100016992100_100015343762 [0,0,0,1,0,1|2,0,0]=4 5981 B10R1.82 CC(=O)NCC1CC(C1)O 240690a_100016992100_100015343762 [0,0,0,1,0,1|2,0,0]=4 5982 B10R1.82 CC(=O)NCC1CN(C1)C 240690a_100000723568_100015343762 [0,0,0,1,0,1|2,0,0]=4 5983 B10R1.82 CC(=O)OCN1CC(C1)C 269982a_100000702820_100000076356 [0,0,0,1,0,1|0,0,0]=2 5984 B10R1.82 CC(=O)OCN1CC(C1)C 34a_100000702820_100009813279 [0,0,0,1,0,1|0,0,0]=2 5985 B10R1.82 CC(=O)OCN1CC(C1)F 269982a_100000690557_100000076356 [0,0,0,1,0,1|1,0,0]=3 5986 B10R1.82 CC(=O)OCN1CC(C1)F 34a_100000690557_100009813279 [0,0,0,1,0,1|1,0,0]=3 5987 B10R1.82 CC(=O)OCN1CC(C1)O 269982a_100000749847_100000076356 [0,0,0,1,0,1|1,0,0]=3 5988 B10R1.82 CC(C)CSC1CC(=O)C1 62a_100009894365_100000210760 [0,0,0,1,0,1|1,0,0]=3 5989 B10R1.82 CC(C)NCC1CC(=O)C1 2230a_100138425928_100009874392 [0,0,0,1,0,1|1,0,0]=3 5990 B10R1.82 CC(C)OCC1CC(=O)C1 34a_100000101936_100000210206 [0,0,0,1,0,1|1,0,0]=3 5991 B10R1.82 CC(C)SCC1CC(=O)C1 62a_100000210206_100009874392 [0,0,0,1,0,1|1,0,0]=3 5992 B10R1.82 CC(C)SCC1CC(=O)C1 62a_100009874392_100000210206 [0,0,0,1,0,1|1,0,0]=3 5993 B10R1.82 CC(O)CSC1CC(=O)C1 62a_100009894365_100011218427 [0,0,0,1,0,1|2,0,0]=4 5994 B10R1.82 CC1CN(C1)CCC(=O)N 2230a_100000702820_100000744528 [0,0,0,1,0,1|2,0,0]=4 5995 B10R1.82 CC1CN(C1)CCC(=O)N 269982a_100000702820_100000744528 [0,0,0,1,0,1|2,0,0]=4 5996 B10R1.82 CC1CN(C1)CCC(=O)N 34a_100000702820_100000731001 [0,0,0,1,0,1|2,0,0]=4 5997 B10R1.82 CC1CN(C1)COC(C)C 2230a_100000702820_100000709892 [0,0,0,1,0,1|1,0,1]=4 5998 B10R1.82 CC1CN(C1)COC(C)C 269982a_100000702820_100000709892 [0,0,0,1,0,1|1,0,1]=4 5999 B10R1.82 CC1CN(C1)COC(C)C 34a_100000702820_100000709892 [0,0,0,1,0,1|1,0,1]=4 6000 B10R1.82 C[C@@H](O)CSC1CC(=O)C1 62a_100009894365_100009817552 [0,0,0,1,0,1|2,0,0]=4 6001 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,0,1,0,1|1,0,0]=3 6002 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,0,0,1,0,1|2,0,0]=4 6003 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,0,0,1,0,1|2,0,0]=4 6004 B10R1.113 CC(=O)C1CN(CCO1)C 1458a_100011543126_200000210301 [0,0,0,1,0,1|1,0,0]=3 6005 B10R1.113 CC(=O)N1CCC=C(C1)C 11a_100000725631_100015343762 [0,0,0,1,0,1|1,0,1]=4 6006 B10R1.113 CC(=O)N1CCC=C(C1)C 1626a_100000725631_100015343762 [0,0,0,1,0,1|1,0,1]=4 6007 B10R1.113 CC(=O)N1CCC=C(C1)C 240690a_100000725631_100015343762 [0,0,0,1,0,1|1,0,1]=4 6008 B10R1.113 CC(=O)N1CCC=C(C1)C 527a_100000725631_100103153847 [0,0,0,1,0,1|1,0,1]=4 6009 B10R1.113 CC(=O)N1CCCC(C1)F 11a_100000697950_100015343762 [0,0,0,1,0,1|2,0,0]=4 6010 B10R1.113 CC(=O)N1CCCC(C1)F 1626a_100000697950_100015343762 [0,0,0,1,0,1|2,0,0]=4 6011 B10R1.113 CC(=O)N1CCCC(C1)F 240690a_100000697950_100015343762 [0,0,0,1,0,1|2,0,0]=4 6012 B10R1.113 CC(=O)N1CCCC(C1)F 527a_100000697950_100103153847 [0,0,0,1,0,1|2,0,0]=4 6013 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,0,0,1,0,1|2,0,0]=4 6014 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,0,0,1,0,1|2,0,0]=4 6015 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,0,0,1,0,1|1,0,0]=3 6016 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,0,0,1,0,1|1,0,0]=3 6017 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,0,0,1,0,1|1,0,0]=3 6018 B10R1.113 CC(=O)N1CCOC(=O)C1 11a_100000131268_100015343762 [0,0,0,1,0,1|1,0,1]=4 6019 B10R1.113 CC(=O)N1CCOC(=O)C1 240690a_100000131268_100015343762 [0,0,0,1,0,1|1,0,1]=4 6020 B10R1.113 CC(=O)N1CCOC(=O)C1 527a_100000131268_100103153847 [0,0,0,1,0,1|1,0,1]=4 6021 B10R1.113 CC(=O)N1CCOC(C1)C 11a_100000729577_100015343762 [0,0,0,1,0,1|1,0,0]=3 6022 B10R1.113 CC(=O)N1CCOC(C1)C 1626a_100000729577_100015343762 [0,0,0,1,0,1|1,0,0]=3 6023 B10R1.113 CC(=O)N1CCOC(C1)C 240690a_100000729577_100015343762 [0,0,0,1,0,1|1,0,0]=3 6024 B10R1.113 CC(=O)N1CCOC(C1)C 527a_100000729577_100103153847 [0,0,0,1,0,1|1,0,0]=3 6025 B10R1.113 CC(=O)N1CCOC(C1)O 11a_100000688207_100015343762 [0,0,0,1,0,1|2,0,0]=4 6026 B10R1.113 CC(=O)N1CCOC(C1)O 240690a_100000688207_100015343762 [0,0,0,1,0,1|2,0,0]=4 6027 B10R1.113 CC(=O)N1CCOC(C1)O 527a_100000688207_100103153847 [0,0,0,1,0,1|2,0,0]=4 6028 B10R1.113 CC(C)N1CCNC(=O)C1 2230a_100000184651_100000210206 [0,0,0,1,0,1|1,0,0]=3 6029 B10R1.113 CC(C)N1CCOC(=O)C1 2230a_100000131268_100000210206 [0,0,0,1,0,1|0,0,0]=2 6030 B10R1.113 CC(C)N1CCOC(C1)O 2230a_100000688207_100000210206 [0,0,0,1,0,1|0,0,2]=4 6031 B10R1.113 CC(C)N1CCOC(C1)O 269982a_100000688207_100000210206 [0,0,0,1,0,1|0,0,2]=4 6032 B10R1.113 CC1=CCCN(C1)C(C)C 2230a_100000725631_100000210206 [0,0,0,1,0,1|2,0,0]=4 6033 B10R1.113 CC1=CCCN(C1)C(C)C 269982a_100000725631_100000210206 [0,0,0,1,0,1|2,0,0]=4 6034 B10R1.113 CC1=CCCN(C1)C(C)C 34a_100000725631_100000210206 [0,0,0,1,0,1|2,0,0]=4 6035 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,0,1,0,1|1,0,0]=3 6036 B10R1.113 CC1CN(CCO1)C(C)C 2230a_100000729577_100000210206 [0,0,0,1,0,1|1,0,1]=4 6037 B10R1.113 CC1CN(CCO1)C(C)C 269982a_100000729577_100000210206 [0,0,0,1,0,1|1,0,1]=4 6038 B10R1.113 CC1CN(CCO1)C(C)C 34a_100000729577_100000210206 [0,0,0,1,0,1|1,0,1]=4 6039 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,0,0,1,0,1|2,0,0]=4 6040 B10R1.113 CN1CCOC(C1)C(=O)N 2230a_100000748043_200000210301 [0,0,0,1,0,1|2,0,0]=4 6041 B10R1.113 CN1CCOC(C1)C(=O)N 34a_100000748043_200000210301 [0,0,0,1,0,1|2,0,0]=4 6042 B10R1.113 CN1CCOC(C1)C(=O)[13CH3] 1458a_100011543126_200025704644 [0,0,0,1,0,1|1,0,0]=3 6043 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,0,0,1,0,1|2,0,0]=4 6044 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 2230a_100000748043_200025704644 [0,0,0,1,0,1|2,0,0]=4 6045 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 34a_100000748043_200025704644 [0,0,0,1,0,1|2,0,0]=4 6046 B10R1.126 C=C(C)CCNCC1CC1 2230a_100000735609_100000730704 [0,0,0,1,0,1|2,0,0]=4 6047 B10R1.126 C=C(C)CCNCC1CC1 34a_100000735609_100000730704 [0,0,0,1,0,1|2,0,0]=4 6048 B10R1.126 C=C(C)CCOCC1CC1 34a_100000211283_100000730704 [0,0,0,1,0,1|2,0,0]=4 6049 B10R1.126 C=C(C)CCOCC1CC1 34a_100000764851_100000742324 [0,0,0,1,0,1|2,0,0]=4 6050 B10R1.126 C=C(C)CCSCC1CC1 62a_100000730704_100000742324 [0,0,0,1,0,1|2,0,0]=4 6051 B10R1.126 C=C(C)CCSCC1CC1 62a_100000756562_100000730704 [0,0,0,1,0,1|2,0,0]=4 6052 B10R1.126 C=C(C)CNCCC1CC1 34a_100000764129_100000748629 [0,0,0,1,0,1|2,0,0]=4 6053 B10R1.126 C=C(C)COCCC1CC1 34a_100000210245_100000694398 [0,0,0,1,0,1|1,0,0]=3 6054 B10R1.126 C=C(C)COCCC1CC1 34a_100000754188_100000748629 [0,0,0,1,0,1|1,0,0]=3 6055 B10R1.126 C=C(C)COCCC1CC1 7a_100000754188_100000748629 [0,0,0,1,0,1|1,0,0]=3 6056 B10R1.126 C=C(C)COCCC1CO1 34a_100000210245_100000732470 [0,0,0,1,0,1|2,0,0]=4 6057 B10R1.126 C=C(C)COCC[C@@H]1CO1 34a_100009820653_100000748629 [0,0,0,1,0,1|2,0,0]=4 6058 B10R1.126 C=C(C)CSCCC1CC1 62a_100000748629_100000764125 [0,0,0,1,0,1|1,1,0]=4 6059 B10R1.126 C=C(C)CSCCC1CC1 62a_100000764125_100000211660 [0,0,0,1,0,1|1,1,0]=4 6060 B10R1.126 C=C(F)COCCC1CC1 34a_100000754188_100009893438 [0,0,0,1,0,1|1,0,1]=4 6061 B10R1.126 C=C(F)COCCC1CC1 34a_200010262243_100000694398 [0,0,0,1,0,1|1,0,1]=4 6062 B10R1.126 C=C(F)COCCC1CC1 7a_100000754188_100000042424 [0,0,0,1,0,1|1,0,1]=4 6063 B10R1.126 CC(=CCCNC1CC1)C 34a_100000212008_100011217483 [0,0,0,1,0,1|2,0,0]=4 6064 B10R1.126 CC(=CCCSC1CC1)C 62a_100011217483_100000211595 [0,0,0,1,0,1|2,0,0]=4 6065 B10R1.126 CC(=CCNCC1CC1)C 2230a_100000735609_100000761012 [0,0,0,1,0,1|2,0,0]=4 6066 B10R1.126 CC(=CCNCC1CC1)C 34a_100000718196_100000742324 [0,0,0,1,0,1|2,0,0]=4 6067 B10R1.126 CC(=CCNCC1CC1)C 34a_100000735609_100000761012 [0,0,0,1,0,1|2,0,0]=4 6068 B10R1.126 CC(=CCOCC1CC1)C 34a_100000211283_100000761012 [0,0,0,1,0,1|2,0,0]=4 6069 B10R1.126 CC(=CCOCC1CC1)C 34a_100000753907_100000742324 [0,0,0,1,0,1|2,0,0]=4 6070 B10R1.126 CC(=CCSCC1CC1)C 62a_100000756562_100000761012 [0,0,0,1,0,1|2,0,0]=4 6071 B10R1.126 CC(=CCSCC1CC1)C 62a_100000761012_100000742324 [0,0,0,1,0,1|2,0,0]=4 6072 B10R1.126 CC(=O)CCCNC1CC1 34a_100000212008_100000685027 [0,0,0,1,0,1|1,0,0]=3 6073 B10R1.126 CC(=O)CCCOC1CC1 34a_100000759063_100000211595 [0,0,0,1,0,1|1,0,0]=3 6074 B10R1.126 CC(=O)CCCSC1CC1 62a_100011215641_100000211595 [0,0,0,1,0,1|1,0,0]=3 6075 B10R1.126 CC(=O)CCOCC1CC1 34a_100000759926_100000742324 [0,0,0,1,0,1|1,0,0]=3 6076 B10R1.126 CC(=O)CCOCC1CC1 7a_100000759926_100000742324 [0,0,0,1,0,1|1,0,0]=3 6077 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [0,0,0,1,0,1|2,0,0]=4 6078 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [0,0,0,1,0,1|2,0,0]=4 6079 B10R1.126 CC(=O)CCOCC1CS1 7a_100000759926_100000031435 [0,0,0,1,0,1|2,0,0]=4 6080 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [0,0,0,1,0,1|2,0,0]=4 6081 B10R1.126 CC(=O)CCSCC1CC1 62a_100000053229_100000742324 [0,0,0,1,0,1|1,0,0]=3 6082 B10R1.126 CC(=O)CCSCC1CC1 62a_100000756562_100000053229 [0,0,0,1,0,1|1,0,0]=3 6083 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [0,0,0,1,0,1|2,0,0]=4 6084 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [0,0,0,1,0,1|2,0,0]=4 6085 B10R1.126 CC(=O)CCSCC1CS1 62a_100000031435_100000053229 [0,0,0,1,0,1|2,0,0]=4 6086 B10R1.126 CC(=O)CCSCC1CS1 62a_100000053229_100000031435 [0,0,0,1,0,1|2,0,0]=4 6087 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [0,0,0,1,0,1|2,0,0]=4 6088 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [0,0,0,1,0,1|2,0,0]=4 6089 B10R1.126 CC(=O)COCCC1CC1 34a_100000211253_100000694398 [0,0,0,1,0,1|0,0,0]=2 6090 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [0,0,0,1,0,1|1,0,0]=3 6091 B10R1.126 CC(=O)NCCOC1CC1 34a_100000158858_100000211595 [0,0,0,1,0,1|1,0,0]=3 6092 B10R1.126 CC(=O)NCCSC1CC1 62a_100000189650_100000211595 [0,0,0,1,0,1|1,0,0]=3 6093 B10R1.126 CC(=O)OCCNC1CC1 34a_100000212008_100009814007 [0,0,0,1,0,1|0,0,0]=2 6094 B10R1.126 CC(=O)OCCSC1CC1 62a_100009814007_100000211595 [0,0,0,1,0,1|0,0,0]=2 6095 B10R1.126 CC(=O)OCNCC1CC1 34a_100000735609_100009813279 [0,0,0,1,0,1|0,0,0]=2 6096 B10R1.126 CC(=O)OCOCC1CC1 34a_100000211283_100009813279 [0,0,0,1,0,1|0,0,0]=2 6097 B10R1.126 CC(=O)OCOC[C@@H]1CO1 34a_100000757423_100009813279 [0,0,0,1,0,1|1,0,0]=3 6098 B10R1.126 CC(=O)OCSCC1CC1 62a_100000076356_100000742324 [0,0,0,1,0,1|0,0,0]=2 6099 B10R1.126 CC(=O)OCSCC1CC1 62a_100000756562_100000076356 [0,0,0,1,0,1|0,0,0]=2 6100 B10R1.126 CC(=O)OCSCC1CO1 62a_100000076356_102125554688 [0,0,0,1,0,1|1,0,0]=3 6101 B10R1.126 CC(=O)OCSCC1CO1 62a_102125554688_100000076356 [0,0,0,1,0,1|1,0,0]=3 6102 B10R1.126 CC(=O)OCSCC1CS1 62a_100000031435_100000076356 [0,0,0,1,0,1|1,0,0]=3 6103 B10R1.126 CC(=O)OCSCC1CS1 62a_100000076356_100000031435 [0,0,0,1,0,1|1,0,0]=3 6104 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000076356_100000745022 [0,0,0,1,0,1|1,0,0]=3 6105 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000076356 [0,0,0,1,0,1|1,0,0]=3 6106 B10R1.126 CC(Br)COCCC1CC1 34a_100012180447_100000694398 [0,0,0,1,0,1|1,0,1]=4 6107 B10R1.126 CC(C)CCCOC1CC1 34a_100000210774_100000211595 [0,0,0,1,0,1|1,0,1]=4 6108 B10R1.126 CC(C)CCOCC1CC1 34a_100000210254_100000742324 [0,0,0,1,0,1|1,0,1]=4 6109 B10R1.126 CC(C)CCOCC1CC1 34a_100000211283_100000210312 [0,0,0,1,0,1|1,0,1]=4 6110 B10R1.126 CC(C)CCOCC1CC1 7a_100000210254_100000742324 [0,0,0,1,0,1|1,0,1]=4 6111 B10R1.126 CC(C)CCOCC1CO1 34a_100000210254_102125554688 [0,0,0,1,0,1|0,0,2]=4 6112 B10R1.126 CC(C)CCOCC1CO1 7a_100000210254_102125554688 [0,0,0,1,0,1|0,0,2]=4 6113 B10R1.126 CC(C)CCOCC1CS1 7a_100000210254_100000031435 [0,0,0,1,0,1|0,1,1]=4 6114 B10R1.126 CC(C)CCOC[C@@H]1CO1 34a_100000757423_100000210312 [0,0,0,1,0,1|0,0,2]=4 6115 B10R1.126 CC(C)CCOC[C@@H]1CO1 7a_100000210254_100000745022 [0,0,0,1,0,1|0,0,2]=4 6116 B10R1.126 CC(C)COCCC1CC1 34a_100000210257_100000694398 [0,0,0,1,0,1|1,0,1]=4 6117 B10R1.126 CC(C)COCCC1CC1 34a_100000754188_100000210624 [0,0,0,1,0,1|1,0,1]=4 6118 B10R1.126 CC(C)COCCC1CC1 7a_100000754188_100000210760 [0,0,0,1,0,1|1,0,1]=4 6119 B10R1.126 CC(C)NCCOC1CC1 34a_100000224655_100000211595 [0,0,0,1,0,1|1,0,1]=4 6120 B10R1.126 CC(C)OCCNC1CC1 34a_100000212008_100000211751 [0,0,0,1,0,1|1,0,1]=4 6121 B10R1.126 CC(C)OCCNC1CC1 34a_100000701111_100000211595 [0,0,0,1,0,1|1,0,1]=4 6122 B10R1.126 CC(C)OCCNC1CC1 34a_100000738766_100000210206 [0,0,0,1,0,1|1,0,1]=4 6123 B10R1.126 CC(C)OCCOC1CC1 34a_100000211219_100000211595 [0,0,0,1,0,1|1,0,1]=4 6124 B10R1.126 CC(C)OCCSC1CC1 62a_100000211751_100000211595 [0,0,0,1,0,1|1,0,1]=4 6125 B10R1.126 CC(C)OCNCC1CC1 2230a_100000735609_100000709892 [0,0,0,1,0,1|1,0,1]=4 6126 B10R1.126 CC(C)OCNCC1CC1 34a_100000735609_100000709892 [0,0,0,1,0,1|1,0,1]=4 6127 B10R1.126 CC(C)OCOCC1CC1 34a_100000211283_100000709892 [0,0,0,1,0,1|1,0,1]=4 6128 B10R1.126 CC(C)OCSCC1CC1 62a_100000709892_100000742324 [0,0,0,1,0,1|1,0,1]=4 6129 B10R1.126 CC(C)OCSCC1CC1 62a_100000756562_100000709892 [0,0,0,1,0,1|1,0,1]=4 6130 B10R1.126 CC(C)SCCOC1CC1 34a_200011212901_100000211595 [0,0,0,1,0,1|1,0,1]=4 6131 B10R1.126 CC(F)COCCC1CC1 34a_100015925927_100000694398 [0,0,0,1,0,1|1,0,1]=4 6132 B10R1.126 CC(O)COCCC1CC1 34a_100000754188_100011218427 [0,0,0,1,0,1|0,0,2]=4 6133 B10R1.126 CC(O)COCCC1CC1 7a_100000754188_100011218427 [0,0,0,1,0,1|0,0,2]=4 6134 B10R1.126 C[C@@H](Cl)COCCC1CC1 34a_100016084084_100000694398 [0,0,0,1,0,1|1,0,1]=4 6135 B10R1.126 C[C@@H](N)COCCC1CC1 34a_100000737577_100000694398 [0,0,0,1,0,1|1,0,1]=4 6136 B10R1.126 C[C@@H](O)COCCC1CC1 34a_100000754188_100009817552 [0,0,0,1,0,1|0,0,2]=4 6137 B10R1.126 C[C@@H](O)COCCC1CC1 7a_100000754188_100009817552 [0,0,0,1,0,1|0,0,2]=4 6138 B10R1.126 NC(=O)CCCNC1CC1 34a_100000212008_100102525003 [0,0,0,1,0,1|2,0,0]=4 6139 B10R1.126 NC(=O)CCCNC1CC1 34a_100000739312_100000211595 [0,0,0,1,0,1|2,0,0]=4 6140 B10R1.126 NC(=O)CCCSC1CC1 62a_100102525003_100000211595 [0,0,0,1,0,1|2,0,0]=4 6141 B10R1.126 NC(=O)CCNCC1CC1 2230a_100000735609_100000744528 [0,0,0,1,0,1|2,0,0]=4 6142 B10R1.126 NC(=O)CCNCC1CC1 269862a_100000740010_100000741477 [0,0,0,1,0,1|2,0,0]=4 6143 B10R1.126 NC(=O)CCNCC1CC1 34a_100000735609_100000731001 [0,0,0,1,0,1|2,0,0]=4 6144 B10R1.126 NC(=O)CCOCC1CC1 34a_100000211283_100000731001 [0,0,0,1,0,1|2,0,0]=4 6145 B10R1.126 NC(=O)CCOCC1CC1 34a_100000757172_100000742324 [0,0,0,1,0,1|2,0,0]=4 6146 B10R1.126 NC(=O)CCOCC1CC1 7a_100000757172_100000742324 [0,0,0,1,0,1|2,0,0]=4 6147 B10R1.126 NC(=O)CCSCC1CC1 62a_100000744528_100000742324 [0,0,0,1,0,1|2,0,0]=4 6148 B10R1.126 NC(=O)CCSCC1CC1 62a_100000756562_100000744528 [0,0,0,1,0,1|2,0,0]=4 6149 B10R1.126 NC(=O)CNCCC1CC1 2230a_100000711301_100000694398 [0,0,0,1,0,1|2,0,0]=4 6150 B10R1.126 NC(=O)CNCCC1CC1 34a_100000764129_100000187820 [0,0,0,1,0,1|2,0,0]=4 6151 B10R1.126 NC(=O)COCCC1CC1 34a_100000754188_100000187820 [0,0,0,1,0,1|1,0,0]=3 6152 B10R1.126 NC(=O)COCCC1CC1 7a_100000754188_100000187820 [0,0,0,1,0,1|1,0,0]=3 6153 B10R1.126 NC(=O)COCC[C@@H]1CO1 34a_100009820653_100000187820 [0,0,0,1,0,1|2,0,0]=4 6154 B10R1.126 NC(=O)CSCCC1CC1 62a_100000747473_100000764125 [0,0,0,1,0,1|1,1,0]=4 6155 B10R1.126 NC(=O)CSCCC1CC1 62a_100000764125_100000747473 [0,0,0,1,0,1|1,1,0]=4 6156 B10R1.126 NC(=O)NCCNC1CC1 34a_100020590234_100000211595 [0,0,0,1,0,1|2,0,0]=4 6157 B10R1.126 NC(=O)NCCOC1CC1 34a_100000181757_100000211595 [0,0,0,1,0,1|2,0,0]=4 6158 B10R1.126 NC(=O)NCCSC1CC1 62a_200000034859_100000211595 [0,0,0,1,0,1|2,0,0]=4 6159 B10R1.126 NC(=O)OCCNC1CC1 34a_100000212008_200011214921 [0,0,0,1,0,1|1,0,0]=3 6160 B10R1.126 NC(=O)OCCSC1CC1 62a_200011214921_100000211595 [0,0,0,1,0,1|1,0,0]=3 6161 B10R1.126 O=C(O)CNCCC1CC1 269956a_100016091260_100000694398 [0,0,0,1,0,1|2,0,0]=4 6162 B10R1.126 O=C(O)CONCC1CC1 269956a_100000106656_100000742324 [0,0,0,1,0,1|2,0,0]=4 6163 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [0,0,0,1,0,1|2,0,0]=4 6164 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [0,0,0,1,0,1|1,0,0]=3 6165 B10R1.126 O=C([O-])COCC[C@@H]1CO1 34a_100009820653_100020667443 [0,0,0,1,0,1|2,0,0]=4 6166 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [0,0,0,1,0,1|1,1,0]=4 6167 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [0,0,0,1,0,1|1,1,0]=4 6168 B10R1.126 O=[N+]([O-])COCCC1CC1 34a_100000754188_100000761209 [0,0,0,1,0,1|2,0,0]=4 6169 B10R1.128 CC(=O)N1CCCC1(C)C 11a_100000761399_100015343762 [0,0,0,1,0,1|1,0,0]=3 6170 B10R1.128 CC(=O)N1CCCC1(C)C 1626a_100000761399_100015343762 [0,0,0,1,0,1|1,0,0]=3 6171 B10R1.128 CC(=O)N1CCCC1(C)C 240690a_100000761399_100015343762 [0,0,0,1,0,1|1,0,0]=3 6172 B10R1.128 CC(=O)N1CCCC1(C)C 527a_100000761399_100103153847 [0,0,0,1,0,1|1,0,0]=3 6173 B10R1.128 CC(=O)N1CCSC1(C)C 11a_100011217261_100015343762 [0,0,0,1,0,1|1,0,0]=3 6174 B10R1.128 CC(=O)N1CCSC1(C)C 1626a_100011217261_100015343762 [0,0,0,1,0,1|1,0,0]=3 6175 B10R1.128 CC(=O)N1CCSC1(C)C 240690a_100011217261_100015343762 [0,0,0,1,0,1|1,0,0]=3 6176 B10R1.128 CC(=O)N1CCSC1(C)C 527a_100011217261_100103153847 [0,0,0,1,0,1|1,0,0]=3 6177 B10R1.128 CC(=O)N1COCC1(C)C 1626a_100000043020_100015343762 [0,0,0,1,0,1|1,0,0]=3 6178 B10R1.128 CC(=O)N1COCC1(C)C 240690a_100000043020_100015343762 [0,0,0,1,0,1|1,0,0]=3 6179 B10R1.128 CC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_200000210301 [0,0,0,1,0,1|2,0,0]=4 6180 B10R1.128 C[N+]1(CCC[C@H]1C(=O)[13CH3])C 1458a_100016991750_200025704644 [0,0,0,1,0,1|2,0,0]=4 6181 B10R1.352 CC(C)OCC1CC1(C)C 34a_100000728257_100000210206 [0,0,0,1,0,1|1,0,1]=4 6182 B10R1.352 CC(C)OCC1CC1(C)C 7a_100000728257_100000210206 [0,0,0,1,0,1|1,0,1]=4 6183 B10R1.352 CC(C)OCC1OC1(C)C 34a_200010283642_100000210206 [0,0,0,1,0,1|1,0,1]=4 6184 B10R1.352 CC(C)OCC1OC1(C)C 7a_200010283642_100000210206 [0,0,0,1,0,1|1,0,1]=4 6185 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [0,0,0,1,0,1|2,0,0]=4 6186 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,1,0,1,0,0|1,0,1]=4 6187 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,1,0,0|1,0,0]=3 6188 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,1,0,0|2,0,0]=4 6189 B10R1.13 CC(=O)C1CCN(CC1)C 1458a_100000743488_200000210301 [0,1,0,1,0,0|2,0,0]=4 6190 B10R1.13 CC(=O)N1CC=C(CC1)C 11a_100000693516_100015343762 [0,1,0,1,0,0|1,0,1]=4 6191 B10R1.13 CC(=O)N1CC=C(CC1)C 1626a_100000693516_100015343762 [0,1,0,1,0,0|1,0,1]=4 6192 B10R1.13 CC(=O)N1CC=C(CC1)C 240690a_100000693516_100015343762 [0,1,0,1,0,0|1,0,1]=4 6193 B10R1.13 CC(=O)N1CC=C(CC1)C 527a_100000693516_100103153847 [0,1,0,1,0,0|1,0,1]=4 6194 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,1,0,1,0,0|1,0,0]=3 6195 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,1,0,1,0,0|1,0,0]=3 6196 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [0,1,0,1,0,0|2,0,0]=4 6197 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [0,1,0,1,0,0|2,0,0]=4 6198 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [0,1,0,1,0,0|2,0,0]=4 6199 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [0,1,0,1,0,0|2,0,0]=4 6200 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [0,1,0,1,0,0|2,0,0]=4 6201 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [0,1,0,1,0,0|2,0,0]=4 6202 B10R1.13 CC(=O)N1CCN(CC1)C 11a_100000188432_100015343762 [0,1,0,1,0,0|2,0,0]=4 6203 B10R1.13 CC(=O)N1CCN(CC1)C 2230a_100000210354_200000210301 [0,1,0,1,0,0|2,0,0]=4 6204 B10R1.13 CC(=O)N1CCN(CC1)C 240690a_100000188432_100015343762 [0,1,0,1,0,0|2,0,0]=4 6205 B10R1.13 CC(=O)N1CCN(CC1)C 269982a_100000210354_200000210301 [0,1,0,1,0,0|2,0,0]=4 6206 B10R1.13 CC(=O)N1CCN(CC1)C 527a_100000188432_100103153847 [0,1,0,1,0,0|2,0,0]=4 6207 B10R1.13 CC(=O)N1CCN(CC1)[13CH3] 2230a_100000210354_200025704644 [0,1,0,1,0,0|2,0,0]=4 6208 B10R1.13 CC(=O)N1CCN(CC1)[13CH3] 269982a_100000210354_200025704644 [0,1,0,1,0,0|2,0,0]=4 6209 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,1,0,0|1,0,0]=3 6210 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,1,0,1,0,0|1,0,1]=4 6211 B10R1.13 CN1CCC(CC1)C(=O)[13CH3] 1458a_100000743488_200025704644 [0,1,0,1,0,0|2,0,0]=4 6212 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,1,0,1,0,0|1,0,0]=3 6213 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,1,0,0|2,0,0]=4 6214 B10R1.14 C=CC(=O)N1CC[C@H](C1)C 240690a_100016987628_200121576911 [0,1,0,1,0,0|1,0,1]=4 6215 B10R1.14 CC(CO)N1CNC(=O)C1 2230a_200000708111_100012180447 [0,1,0,1,0,0|2,0,0]=4 6216 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,1,0,1,0,0|2,0,0]=4 6217 B10R1.14 CCC(=O)C1CCN(C1)C 1458a_100000739633_100000210202 [0,1,0,1,0,0|2,0,0]=4 6218 B10R1.14 CCC(=O)N1CCC(C1)O 240690a_100011215560_100000210414 [0,1,0,1,0,0|2,0,0]=4 6219 B10R1.14 CCC(=O)N1CCC(C1)O 527a_100011215560_100000210414 [0,1,0,1,0,0|2,0,0]=4 6220 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210414 [0,1,0,1,0,0|2,0,0]=4 6221 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210414 [0,1,0,1,0,0|2,0,0]=4 6222 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210414 [0,1,0,1,0,0|2,0,0]=4 6223 B10R1.14 CCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210414 [0,1,0,1,0,0|2,0,0]=4 6224 B10R1.14 CCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210414 [0,1,0,1,0,0|1,0,0]=3 6225 B10R1.14 CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210414 [0,1,0,1,0,0|1,0,0]=3 6226 B10R1.14 CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210414 [0,1,0,1,0,0|1,0,0]=3 6227 B10R1.14 CCC(C)N1CNC(=O)C1 2230a_200000708111_100000758301 [0,1,0,1,0,0|2,0,0]=4 6228 B10R1.14 CN1CCC(C1)C(=O)CF 1458a_100000739633_100015361967 [0,1,0,1,0,0|2,0,0]=4 6229 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,1,0,1,0,0|2,0,0]=4 6230 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,1,0,1,0,0|2,0,0]=4 6231 B10R1.14 CNC(=O)C1CCN(C1)C 2230a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 6232 B10R1.14 CNC(=O)C1CCN(C1)C 240690a_100102657272_100000739633 [0,1,0,1,0,0|2,0,0]=4 6233 B10R1.14 CNC(=O)C1CCN(C1)C 269982a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 6234 B10R1.14 CNC(=O)C1CCN(C1)C 34a_100020588580_200000210301 [0,1,0,1,0,0|2,0,0]=4 6235 B10R1.14 CNC(=O)C1CCN(C1)C 527a_100102657272_100000739633 [0,1,0,1,0,0|2,0,0]=4 6236 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 2230a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 6237 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 269982a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 6238 B10R1.14 CNC(=O)C1CCN(C1)[13CH3] 34a_100020588580_200025704644 [0,1,0,1,0,0|2,0,0]=4 6239 B10R1.14 CNC(=O)N1CCC(C1)O 2708a_100102657272_100011215560 [0,1,0,1,0,0|2,0,0]=4 6240 B10R1.14 CNC(=O)N1CCC(C1)O 273464a_100102657272_100011215560 [0,1,0,1,0,0|2,0,0]=4 6241 B10R1.14 CNC(=O)N1CC[C@@H](C1)F 2708a_100102657272_100015203821 [0,1,0,1,0,0|2,0,0]=4 6242 B10R1.14 CNC(=O)N1CC[C@@H](C1)F 273464a_100102657272_100015203821 [0,1,0,1,0,0|2,0,0]=4 6243 B10R1.14 CNC(=O)N1CC[C@H](C1)C 2708a_100102657272_100016987628 [0,1,0,1,0,0|1,0,0]=3 6244 B10R1.14 CNC(=O)N1CC[C@H](C1)C 273464a_100102657272_100016987628 [0,1,0,1,0,0|1,0,0]=3 6245 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 2230a_100016989057_200000210301 [0,1,0,1,0,0|2,0,0]=4 6246 B10R1.14 COC(=O)[C@@H]1CCN(C1)C 269982a_100016989057_200000210301 [0,1,0,1,0,0|2,0,0]=4 6247 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 2230a_100016989057_200025704644 [0,1,0,1,0,0|2,0,0]=4 6248 B10R1.14 COC(=O)[C@@H]1CCN(C1)[13CH3] 269982a_100016989057_200025704644 [0,1,0,1,0,0|2,0,0]=4 6249 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [0,1,0,1,0,0|1,0,0]=3 6250 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [0,1,0,1,0,0|1,0,0]=3 6251 B10R1.14 O=C(CF)C1CCC(C1)O 1458a_100000688591_100015361967 [0,1,0,1,0,0|2,0,0]=4 6252 B10R1.14 O=C(CO)N1CCC(C1)O 240690a_100011215560_100000210174 [0,1,0,1,0,0|2,0,0]=4 6253 B10R1.14 O=C(CO)N1CCC(C1)O 527a_100011215560_100000210174 [0,1,0,1,0,0|2,0,0]=4 6254 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 240690a_100015203821_100000210174 [0,1,0,1,0,0|2,0,0]=4 6255 B10R1.14 O=C(CO)N1CC[C@@H](C1)F 527a_100015203821_100000210174 [0,1,0,1,0,0|2,0,0]=4 6256 B10R1.31 CC(=O)N1CCC(C1)C#N 11a_100016989334_100015343762 [0,1,0,1,0,0|1,0,1]=4 6257 B10R1.31 CC(=O)N1CCC(C1)C#N 1626a_100016989334_100015343762 [0,1,0,1,0,0|1,0,1]=4 6258 B10R1.31 CC(=O)N1CCC(C1)C#N 240690a_100016989334_100015343762 [0,1,0,1,0,0|1,0,1]=4 6259 B10R1.31 CC(=O)N1CCC(C1)C#N 527a_100016989334_100103153847 [0,1,0,1,0,0|1,0,1]=4 6260 B10R1.31 CC(=O)N1CCC(C1)CO 240690a_100000748654_100015343762 [0,1,0,1,0,0|1,0,0]=3 6261 B10R1.31 CC(=O)N1CCC(C1)CO 527a_100000748654_100103153847 [0,1,0,1,0,0|1,0,0]=3 6262 B10R1.31 CC(=O)N1CCC(C1)N[13CH3] 2230a_100000705975_200025704644 [0,1,0,1,0,0|1,0,0]=3 6263 B10R1.31 CC(=O)N1CC[C@@H](C1)O[13CH3] 7a_100012000934_200025704644 [0,1,0,1,0,0|1,0,0]=3 6264 B10R1.31 CCN1CCC(C1)C(=O)C 1458a_100103286618_200000210301 [0,1,0,1,0,0|2,0,0]=4 6265 B10R1.31 CCN1CCC(C1)C(=O)[13CH3] 1458a_100103286618_200025704644 [0,1,0,1,0,0|2,0,0]=4 6266 B10R1.31 CNC1CCN(C1)C(=O)C 2230a_100000705975_200000210301 [0,1,0,1,0,0|1,0,0]=3 6267 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,1,0,1,0,0|2,0,0]=4 6268 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 11a_100000766984_100015343762 [0,1,0,1,0,0|1,0,0]=3 6269 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 1626a_100000766984_100015343762 [0,1,0,1,0,0|1,0,0]=3 6270 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 240690a_100000766984_100015343762 [0,1,0,1,0,0|1,0,0]=3 6271 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 527a_100000766984_100103153847 [0,1,0,1,0,0|1,0,0]=3 6272 B10R1.31 CO[C@H]1CCN(C1)C(=O)C 7a_100012000934_200000210301 [0,1,0,1,0,0|1,0,0]=3 6273 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,1,0,1,0,0|2,0,0]=4 6274 B10R1.117 CC(=O)CCN1CCC1C 269982a_100000755817_100000053229 [0,1,0,1,0,0|2,0,0]=4 6275 B10R1.117 CC(=O)OCN1CCC1C 269982a_100000755817_100000076356 [0,1,0,1,0,0|1,0,0]=3 6276 B10R1.117 CC(=O)OCN1CCC1C 34a_100000755817_100009813279 [0,1,0,1,0,0|1,0,0]=3 6277 B10R1.117 CC(C)CNC1CCC1=O 34a_100000210953_100009892977 [0,1,0,1,0,0|2,0,0]=4 6278 B10R1.117 CC(C)COC1CCC1=O 34a_100000210257_100009892977 [0,1,0,1,0,0|2,0,0]=4 6279 B10R1.117 CC(C)CSC1CCC1=O 62a_100000210624_100009892977 [0,1,0,1,0,0|2,0,0]=4 6280 B10R1.117 CC(C)CSC1CCC1=O 62a_100009892977_100000210760 [0,1,0,1,0,0|2,0,0]=4 6281 B10R1.117 CN(C)CCC1CCC1=O 2230a_100102631434_200016118888 [0,1,0,1,0,0|2,0,0]=4 6282 B10R1.117 CN(C)CCC1CCC1=O 269982a_100102631434_200016118888 [0,1,0,1,0,0|2,0,0]=4 6283 B10R1.127 CC(=O)CCCN1CCC1 269982a_100000754969_100011215641 [0,1,0,1,0,0|2,0,0]=4 6284 B10R1.127 CC(=O)CCOC1CCC1 34a_100000759926_100000749161 [0,1,0,1,0,0|2,0,0]=4 6285 B10R1.127 CC(=O)CCOC1COC1 34a_100000759926_100009818527 [0,1,0,1,0,0|2,0,0]=4 6286 B10R1.127 CC(=O)CCOC1COC1 7a_100000759926_100009818527 [0,1,0,1,0,0|2,0,0]=4 6287 B10R1.127 CC(=O)CCOC1CSC1 7a_100000072292_100000053229 [0,1,0,1,0,0|2,0,0]=4 6288 B10R1.127 CC(=O)CCSC1CCC1 62a_100000053229_100000749161 [0,1,0,1,0,0|2,0,0]=4 6289 B10R1.127 CC(=O)CCSC1COC1 62a_100000053229_100009818527 [0,1,0,1,0,0|2,0,0]=4 6290 B10R1.127 CC(=O)COCC1CCC1 34a_100000211253_100000763275 [0,1,0,1,0,0|2,0,0]=4 6291 B10R1.127 CC(=O)COCC1CCO1 34a_100000211253_100000103362 [0,1,0,1,0,0|2,0,0]=4 6292 B10R1.127 CC(=O)COCC1COC1 34a_100000211253_100010264016 [0,1,0,1,0,0|2,0,0]=4 6293 B10R1.127 CC(=O)NCCN1CCC1 240690a_100000691440_100015343762 [0,1,0,1,0,0|2,0,0]=4 6294 B10R1.127 CC(=O)NCCN1CCC1 269982a_100000754969_100000189650 [0,1,0,1,0,0|2,0,0]=4 6295 B10R1.127 CC(=O)NNCC1CCC1 22a_200020586977_100000070787 [0,1,0,1,0,0|2,0,0]=4 6296 B10R1.127 CC(=O)OCCN1CCC1 269982a_100000754969_100009814007 [0,1,0,1,0,0|1,0,0]=3 6297 B10R1.127 CC(=O)OCNC1CCC1 34a_100000749019_100009813279 [0,1,0,1,0,0|1,0,0]=3 6298 B10R1.127 CC(=O)OCOC1CCC1 34a_100000748187_100009813279 [0,1,0,1,0,0|1,0,0]=3 6299 B10R1.127 CC(=O)OCSC1CCC1 62a_100000076356_100000749161 [0,1,0,1,0,0|1,0,0]=3 6300 B10R1.127 CC(=O)OCSC1COC1 62a_100000076356_100009818527 [0,1,0,1,0,0|1,0,0]=3 6301 B10R1.127 CC(C)CCOC1CCC1 34a_100000210254_100000749161 [0,1,0,1,0,0|1,0,1]=4 6302 B10R1.127 CC(C)CCOC1CCC1 34a_100000748187_100000210312 [0,1,0,1,0,0|1,0,1]=4 6303 B10R1.127 CC(C)CCOC1COC1 34a_100000210254_100009818527 [0,1,0,1,0,0|0,0,2]=4 6304 B10R1.127 CC(C)CCOC1COC1 7a_100000210254_100009818527 [0,1,0,1,0,0|0,0,2]=4 6305 B10R1.127 CC(C)CCOC1CSC1 7a_100000072292_100000210626 [0,1,0,1,0,0|0,1,1]=4 6306 B10R1.127 CC(C)OCCC1COC1 34a_100009855314_100000210206 [0,1,0,1,0,0|1,0,1]=4 6307 B10R1.127 NC(=O)OCCN1CCC1 269982a_100000754969_200011214921 [0,1,0,1,0,0|2,0,0]=4 6308 B10R1.150 CCC(=O)CN1CC(C1)C 269982a_100000702820_100000747405 [0,1,0,1,0,0|2,0,0]=4 6309 B10R1.150 CCC(=O)NC1CC(C1)F 11a_100016993743_100000210414 [0,1,0,1,0,0|2,0,0]=4 6310 B10R1.150 CCC(=O)NC1CC(C1)F 1626a_100016993743_100000210414 [0,1,0,1,0,0|2,0,0]=4 6311 B10R1.150 CCC(=O)NC1CC(C1)F 240690a_100016993743_100000210414 [0,1,0,1,0,0|2,0,0]=4 6312 B10R1.150 CCC(=O)NC1CC(C1)F 527a_100016993743_100000210414 [0,1,0,1,0,0|2,0,0]=4 6313 B10R1.150 CCC(=O)NC1CN(C1)C 240690a_100015196640_100000210414 [0,1,0,1,0,0|2,0,0]=4 6314 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210414 [0,1,0,1,0,0|2,0,0]=4 6315 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210414 [0,1,0,1,0,0|2,0,0]=4 6316 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210414 [0,1,0,1,0,0|2,0,0]=4 6317 B10R1.150 CCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210414 [0,1,0,1,0,0|2,0,0]=4 6318 B10R1.150 CCC(C)SC1CC(=O)C1 62a_100009894365_100000758301 [0,1,0,1,0,0|2,0,0]=4 6319 B10R1.150 CCN(C)CC1CC(=O)C1 2230a_100000225621_100009874392 [0,1,0,1,0,0|2,0,0]=4 6320 B10R1.150 CCN(C)CC1CC(=O)C1 269982a_100000225621_100009874392 [0,1,0,1,0,0|2,0,0]=4 6321 B10R1.150 CN1CC(C1)NC(=O)CO 240690a_100015196640_100000210174 [0,1,0,1,0,0|2,0,0]=4 6322 B10R1.150 CNC(=O)CN1CC(C1)C 2230a_100000702820_100000183359 [0,1,0,1,0,0|2,0,0]=4 6323 B10R1.150 CNC(=O)CN1CC(C1)C 269982a_100000702820_100000183359 [0,1,0,1,0,0|2,0,0]=4 6324 B10R1.150 CNC(=O)CN1CC(C1)C 34a_100000702820_100000183359 [0,1,0,1,0,0|2,0,0]=4 6325 B10R1.150 CNC(=O)NC1CC(C1)F 2708a_100016993743_106832991635 [0,1,0,1,0,0|2,0,0]=4 6326 B10R1.150 CNC(=O)NC1CC(C1)F 2708a_100102657272_100016993743 [0,1,0,1,0,0|2,0,0]=4 6327 B10R1.150 CNC(=O)NC1CC(C1)F 273464a_100016993743_100102657272 [0,1,0,1,0,0|2,0,0]=4 6328 B10R1.150 CNC(=O)NC1CC(C1)F 273464a_100102657272_100016993743 [0,1,0,1,0,0|2,0,0]=4 6329 B10R1.150 CNC(=O)NC1CC(C1)F 512a_100016993743_100102657272 [0,1,0,1,0,0|2,0,0]=4 6330 B10R1.150 CNC(=O)NC1CC(C1)F 512a_106832991638_100016993743 [0,1,0,1,0,0|2,0,0]=4 6331 B10R1.150 CNC(=O)NC1CN(C1)C 2708a_100015196640_106832991635 [0,1,0,1,0,0|2,0,0]=4 6332 B10R1.150 CNC(=O)NC1CN(C1)C 2708a_100102657272_100015196640 [0,1,0,1,0,0|2,0,0]=4 6333 B10R1.150 CNC(=O)NC1CN(C1)C 273464a_100015196640_100102657272 [0,1,0,1,0,0|2,0,0]=4 6334 B10R1.150 CNC(=O)NC1CN(C1)C 273464a_100102657272_100015196640 [0,1,0,1,0,0|2,0,0]=4 6335 B10R1.150 CNC(=O)NC1CN(C1)C 512a_100015196640_100102657272 [0,1,0,1,0,0|2,0,0]=4 6336 B10R1.150 CNC(=O)NC1CN(C1)C 512a_106832991638_100015196640 [0,1,0,1,0,0|2,0,0]=4 6337 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 2708a_100102657272_100020629032 [0,1,0,1,0,0|2,0,0]=4 6338 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100102657272 [0,1,0,1,0,0|2,0,0]=4 6339 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100102657272_100020629032 [0,1,0,1,0,0|2,0,0]=4 6340 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100102657272 [0,1,0,1,0,0|2,0,0]=4 6341 B10R1.150 CNC(=O)N[C@H]1C[C@@H](C1)O 512a_106832991638_100020629032 [0,1,0,1,0,0|2,0,0]=4 6342 B10R1.150 COC(=O)CC1CN(C1)C 269982a_100016993681_200000210301 [0,1,0,1,0,0|2,0,0]=4 6343 B10R1.150 COC(=O)CC1CN(C1)[13CH3] 269982a_100016993681_200025704644 [0,1,0,1,0,0|2,0,0]=4 6344 B10R1.150 COC(=O)CN1CC(C1)C 2230a_100000702820_100000747449 [0,1,0,1,0,0|2,0,0]=4 6345 B10R1.150 COC(=O)CN1CC(C1)C 269982a_100000702820_100000747449 [0,1,0,1,0,0|2,0,0]=4 6346 B10R1.150 COC(=O)CN1CC(C1)C 34a_100000702820_100000747449 [0,1,0,1,0,0|2,0,0]=4 6347 B10R1.150 COC(C)SC1CC(=O)C1 62a_100009894365_100009879195 [0,1,0,1,0,0|2,0,0]=4 6348 B10R1.150 C[C@H](CO)SC1CC(=O)C1 62a_100009894365_100016084084 [0,1,0,1,0,0|2,0,0]=4 6349 B10R1.150 O=C(CO)NC1CC(C1)F 240690a_100016993743_100000210174 [0,1,0,1,0,0|2,0,0]=4 6350 B10R1.150 O=C(CO)NC1CC(C1)F 527a_100016993743_100000210174 [0,1,0,1,0,0|2,0,0]=4 6351 B10R1.150 O=C(CO)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210174 [0,1,0,1,0,0|2,0,0]=4 6352 B10R1.150 O=C(CO)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210174 [0,1,0,1,0,0|2,0,0]=4 6353 B10R1.153 C#CC(C)OCCC1CC1 34a_100000754188_200000035995 [0,1,0,1,0,0|1,0,1]=4 6354 B10R1.153 C#C[C@@H](C)OCCC1CC1 34a_100009815206_100000694398 [0,1,0,1,0,0|1,0,1]=4 6355 B10R1.153 C#C[C@@H](C)OCCC1CC1 7a_100009815206_100000764125 [0,1,0,1,0,0|1,0,1]=4 6356 B10R1.153 C=CC(=O)NCCC1CC1 1626a_100000764129_100000185746 [0,1,0,1,0,0|1,0,1]=4 6357 B10R1.153 C=CC(=O)NCCC1CC1 240690a_100000764129_200121576911 [0,1,0,1,0,0|1,0,1]=4 6358 B10R1.153 C=CC(C)OCCC1CC1 34a_100000695699_100000694398 [0,1,0,1,0,0|1,0,1]=4 6359 B10R1.153 CC(C#N)OCCC1CC1 34a_100011218135_100000694398 [0,1,0,1,0,0|1,0,1]=4 6360 B10R1.153 CC(C#N)OCCC1CC1 7a_100000754188_100000703298 [0,1,0,1,0,0|1,0,1]=4 6361 B10R1.153 CC(CF)OCCC1CC1 34a_100016041109_100000694398 [0,1,0,1,0,0|1,0,1]=4 6362 B10R1.153 CC(CF)OCCC1CC1 7a_100016041109_100000764125 [0,1,0,1,0,0|1,0,1]=4 6363 B10R1.153 CC(CN)OCCC1CC1 34a_100000210904_100000694398 [0,1,0,1,0,0|1,0,1]=4 6364 B10R1.153 CC(CO)OCCC1CC1 34a_100000754188_100012180447 [0,1,0,1,0,0|0,0,2]=4 6365 B10R1.153 CC(CO)OCCC1CC1 7a_100000754188_100012180447 [0,1,0,1,0,0|0,0,2]=4 6366 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,1,0,1,0,0|2,0,0]=4 6367 B10R1.153 CCC(=O)COCC1CC1 34a_100000725409_100000742324 [0,1,0,1,0,0|2,0,0]=4 6368 B10R1.153 CCC(=O)CSCC1CC1 1458a_200011316215_100000210202 [0,1,0,1,0,0|2,0,0]=4 6369 B10R1.153 CCC(=O)CSCC1CC1 62a_100000747405_100000742324 [0,1,0,1,0,0|2,0,0]=4 6370 B10R1.153 CCC(=O)CSCC1CC1 62a_100000756562_100000747405 [0,1,0,1,0,0|2,0,0]=4 6371 B10R1.153 CCC(=O)NCCC1CC1 1626a_100000764129_100000210414 [0,1,0,1,0,0|1,0,0]=3 6372 B10R1.153 CCC(=O)NCCC1CC1 240690a_100000764129_100000210414 [0,1,0,1,0,0|1,0,0]=3 6373 B10R1.153 CCC(=O)NCCC1CC1 527a_100000764129_100000210414 [0,1,0,1,0,0|1,0,0]=3 6374 B10R1.153 CCC(=O)NNCC1CC1 22a_100000736359_100000210414 [0,1,0,1,0,0|2,0,0]=4 6375 B10R1.153 CCC(C)OCCC1CC1 34a_100000754188_100011215416 [0,1,0,1,0,0|1,0,1]=4 6376 B10R1.153 CCC(C)OCCC1CC1 7a_100000210228_100000764125 [0,1,0,1,0,0|1,0,1]=4 6377 B10R1.153 CCC(C)OCCC1CC1 7a_100000754188_100000758301 [0,1,0,1,0,0|1,0,1]=4 6378 B10R1.153 CNC(=O)CCNC1CC1 34a_100000212008_100012179268 [0,1,0,1,0,0|2,0,0]=4 6379 B10R1.153 CNC(=O)CCNC1CC1 34a_100000738227_100000211595 [0,1,0,1,0,0|2,0,0]=4 6380 B10R1.153 CNC(=O)CCOC1CC1 34a_100000754576_100000211595 [0,1,0,1,0,0|2,0,0]=4 6381 B10R1.153 CNC(=O)CCSC1CC1 62a_100000737683_100000211595 [0,1,0,1,0,0|2,0,0]=4 6382 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000693194_100000742324 [0,1,0,1,0,0|2,0,0]=4 6383 B10R1.153 CNC(=O)CNCC1CC1 2230a_100000735609_100000183359 [0,1,0,1,0,0|2,0,0]=4 6384 B10R1.153 CNC(=O)CNCC1CC1 269862a_100000693194_100000741477 [0,1,0,1,0,0|2,0,0]=4 6385 B10R1.153 CNC(=O)CNCC1CC1 34a_100000735609_100000183359 [0,1,0,1,0,0|2,0,0]=4 6386 B10R1.153 CNC(=O)COCC1CC1 34a_100000211283_100000183359 [0,1,0,1,0,0|2,0,0]=4 6387 B10R1.153 CNC(=O)COCC1CC1 34a_100000750040_100000742324 [0,1,0,1,0,0|2,0,0]=4 6388 B10R1.153 CNC(=O)CSCC1CC1 11a_106832991635_200011316215 [0,1,0,1,0,0|2,0,0]=4 6389 B10R1.153 CNC(=O)CSCC1CC1 1626a_100102657272_200011316215 [0,1,0,1,0,0|2,0,0]=4 6390 B10R1.153 CNC(=O)CSCC1CC1 240690a_100102657272_200011316215 [0,1,0,1,0,0|2,0,0]=4 6391 B10R1.153 CNC(=O)CSCC1CC1 527a_100102657272_200011316215 [0,1,0,1,0,0|2,0,0]=4 6392 B10R1.153 CNC(=O)CSCC1CC1 62a_100000183359_100000742324 [0,1,0,1,0,0|2,0,0]=4 6393 B10R1.153 CNC(=O)CSCC1CC1 62a_100000756562_100000183359 [0,1,0,1,0,0|2,0,0]=4 6394 B10R1.153 CNC(=O)NCCC1CC1 2708a_100000764129_106832991635 [0,1,0,1,0,0|1,0,0]=3 6395 B10R1.153 CNC(=O)NCCC1CC1 2708a_100102657272_100000764129 [0,1,0,1,0,0|1,0,0]=3 6396 B10R1.153 CNC(=O)NCCC1CC1 273464a_100000764129_100102657272 [0,1,0,1,0,0|1,0,0]=3 6397 B10R1.153 CNC(=O)NCCC1CC1 273464a_100102657272_100000764129 [0,1,0,1,0,0|1,0,0]=3 6398 B10R1.153 CNC(=O)NCCC1CC1 512a_100000764129_100102657272 [0,1,0,1,0,0|1,0,0]=3 6399 B10R1.153 CNC(=O)NCCC1CC1 512a_106832991638_100000764129 [0,1,0,1,0,0|1,0,0]=3 6400 B10R1.153 CNC(=O)NNCC1CC1 273464a_100102657272_100000736359 [0,1,0,1,0,0|2,0,0]=4 6401 B10R1.153 CNC(=O)NNCC1CC1 512a_100000736359_100102657272 [0,1,0,1,0,0|2,0,0]=4 6402 B10R1.153 CNC(=O)NNCC1CC1 512a_106832991638_100000736359 [0,1,0,1,0,0|2,0,0]=4 6403 B10R1.153 COC(=O)CCNC1CC1 34a_100000212008_100000742370 [0,1,0,1,0,0|2,0,0]=4 6404 B10R1.153 COC(=O)CCSC1CC1 62a_100000204255_100000211595 [0,1,0,1,0,0|2,0,0]=4 6405 B10R1.153 COC(=O)CNCC1CC1 2230a_100000735609_100000747449 [0,1,0,1,0,0|2,0,0]=4 6406 B10R1.153 COC(=O)CNCC1CC1 34a_100000735609_100000747449 [0,1,0,1,0,0|2,0,0]=4 6407 B10R1.153 COC(=O)COCC1CC1 34a_100000211283_100000747449 [0,1,0,1,0,0|2,0,0]=4 6408 B10R1.153 COC(=O)CSCC1CC1 62a_100000747449_100000742324 [0,1,0,1,0,0|2,0,0]=4 6409 B10R1.153 COC(=O)CSCC1CC1 62a_100000756562_100000747449 [0,1,0,1,0,0|2,0,0]=4 6410 B10R1.153 O=C(CF)CSCC1CC1 1458a_200011316215_100015361967 [0,1,0,1,0,0|2,0,0]=4 6411 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [0,1,0,1,0,0|2,0,0]=4 6412 B10R1.153 O=C(CO)NCCC1CC1 240690a_100000764129_100000210174 [0,1,0,1,0,0|1,0,0]=3 6413 B10R1.153 O=C(CO)NCCC1CC1 527a_100000764129_100000210174 [0,1,0,1,0,0|1,0,0]=3 6414 B10R1.153 O=C(CO)NNCC1CC1 22a_100000736359_100000210174 [0,1,0,1,0,0|2,0,0]=4 6415 B10R1.168 CC(=O)NC1CC(C1)CO 240690a_100000095622_100015343762 [0,1,0,1,0,0|1,0,0]=3 6416 B10R1.168 CC(=O)NC1CC(C1)CO 527a_100000095622_100103153847 [0,1,0,1,0,0|1,0,0]=3 6417 B10R1.168 CC(=O)OC1CN(C1)CF 269982a_100016994906_100015361967 [0,1,0,1,0,0|1,0,0]=3 6418 B10R1.168 CCN1CC(C1)NC(=O)C 11a_200015199589_100015343762 [0,1,0,1,0,0|2,0,0]=4 6419 B10R1.168 CCN1CC(C1)NC(=O)C 1626a_200015199589_100015343762 [0,1,0,1,0,0|2,0,0]=4 6420 B10R1.168 CCN1CC(C1)NC(=O)C 240690a_200015199589_100015343762 [0,1,0,1,0,0|2,0,0]=4 6421 B10R1.168 CCN1CC(C1)OC(=O)C 269982a_100016994906_100000204670 [0,1,0,1,0,0|1,0,0]=3 6422 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 11a_100121570643_100015343762 [0,1,0,1,0,0|1,0,0]=3 6423 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 1626a_100121570643_100015343762 [0,1,0,1,0,0|1,0,0]=3 6424 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 240690a_100121570643_100015343762 [0,1,0,1,0,0|1,0,0]=3 6425 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 527a_100121570643_100103153847 [0,1,0,1,0,0|1,0,0]=3 6426 B10R1.171 CC1(CC(CCO1)N[13CH3])C 2230a_100000696200_200025704644 [0,1,0,1,0,0|1,0,1]=4 6427 B10R1.171 CC1(CC(CCO1)O[13CH3])C 34a_100000693217_200025704644 [0,1,0,1,0,0|1,0,1]=4 6428 B10R1.171 CC1(CC(CCO1)O[13CH3])C 7a_100000693217_200025704644 [0,1,0,1,0,0|1,0,1]=4 6429 B10R1.171 CC1(CC(CCO1)S[13CH3])C 62a_100010191092_200025704644 [0,1,0,1,0,0|1,0,1]=4 6430 B10R1.171 CC1(CC(CCO1)S[13CH3])C 62a_200025704644_100010191092 [0,1,0,1,0,0|1,0,1]=4 6431 B10R1.171 CNC1CCOC(C1)(C)C 2230a_100000696200_200000210301 [0,1,0,1,0,0|1,0,1]=4 6432 B10R1.171 CNC1CCOC(C1)(C)C 270004a_106832991635_100000755756 [0,1,0,1,0,0|1,0,1]=4 6433 B10R1.171 CNC1CCOC(C1)(C)C 34a_100102657272_100010191092 [0,1,0,1,0,0|1,0,1]=4 6434 B10R1.171 CNC1CCOC(C1)(C)C 7a_106832991635_100010191092 [0,1,0,1,0,0|1,0,1]=4 6435 B10R1.171 COC1CCOC(C1)(C)C 34a_100000693217_200000210301 [0,1,0,1,0,0|1,0,1]=4 6436 B10R1.171 COC1CCOC(C1)(C)C 34a_100138415774_100010191092 [0,1,0,1,0,0|1,0,1]=4 6437 B10R1.171 COC1CCOC(C1)(C)C 7a_100000693217_200000210301 [0,1,0,1,0,0|1,0,1]=4 6438 B10R1.171 CSC1CCOC(C1)(C)C 62a_100010191092_200000210301 [0,1,0,1,0,0|1,0,1]=4 6439 B10R1.171 CSC1CCOC(C1)(C)C 62a_200000210301_100010191092 [0,1,0,1,0,0|1,0,1]=4 6440 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [0,1,0,1,0,0|2,0,0]=4 6441 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [0,1,0,1,0,0|2,0,0]=4 6442 B10R1.197 O=C1CCN(CCN1)CF 269982a_100000698595_100015361967 [0,1,0,1,0,0|2,0,0]=4 6443 B10R1.206 C#CC(C)OCC1CC1C 34a_100000744939_200000035995 [0,1,0,1,0,0|1,0,1]=4 6444 B10R1.206 CC(C#N)OCC1CC1C 7a_100000744939_100000703298 [0,1,0,1,0,0|1,0,1]=4 6445 B10R1.206 CC(CO)OCC1CC1C 34a_100000744939_100012180447 [0,1,0,1,0,0|0,0,2]=4 6446 B10R1.206 CC(CO)OCC1CC1C 7a_100000744939_100012180447 [0,1,0,1,0,0|0,0,2]=4 6447 B10R1.206 CCC(C)OCC1CC1C 34a_100000744939_100011215416 [0,1,0,1,0,0|1,0,1]=4 6448 B10R1.206 CCC(C)OCC1CC1C 7a_100000744939_100000758301 [0,1,0,1,0,0|1,0,1]=4 6449 B10R1.350 CC(=O)CCOC1(CC1)C 7a_100011725673_100000053229 [0,1,0,1,0,0|2,0,0]=4 6450 B10R1.350 CC(=O)COCC1(CO1)C 34a_100000211253_100000760498 [0,1,0,1,0,0|2,0,0]=4 6451 B10R1.350 CC(C)CCOC1(CC1)C 7a_100011725673_100000210626 [0,1,0,1,0,0|1,0,1]=4 6452 B10R1.408 COC(=O)C1CN1C(C)C 2230a_200009830135_100000210206 [0,1,0,1,0,0|2,0,0]=4 6453 B10R1.58 CC(=O)N1C[C@@H]([C@H](C1)F)O 11a_100020590056_100015343762 [0,1,0,1,0,0|2,0,0]=4 6454 B10R1.58 CC(=O)N1C[C@@H]([C@H](C1)F)O 240690a_100020590056_100015343762 [0,1,0,1,0,0|2,0,0]=4 6455 B10R1.58 CC(=O)N1C[C@@H]([C@H](C1)F)O 527a_100020590056_100103153847 [0,1,0,1,0,0|2,0,0]=4 6456 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)F)F 11a_100103146936_100015343762 [0,1,0,1,0,0|2,0,0]=4 6457 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)F)F 1626a_100103146936_100015343762 [0,1,0,1,0,0|2,0,0]=4 6458 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)F)F 240690a_100103146936_100015343762 [0,1,0,1,0,0|2,0,0]=4 6459 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)F)F 527a_100103146936_100103153847 [0,1,0,1,0,0|2,0,0]=4 6460 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100015343762 [0,1,0,1,0,0|1,0,0]=3 6461 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100015343762 [0,1,0,1,0,0|1,0,0]=3 6462 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100103153847 [0,1,0,1,0,0|1,0,0]=3 6463 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)O 11a_100015207562_100015343762 [0,1,0,1,0,0|2,0,0]=4 6464 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)O 240690a_100015207562_100015343762 [0,1,0,1,0,0|2,0,0]=4 6465 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)O 527a_100015207562_100103153847 [0,1,0,1,0,0|2,0,0]=4 6466 B10R1.81 CC(=O)C(C)N1CC(C1)C 2230a_100000702820_100009814033 [0,1,0,1,0,0|2,0,0]=4 6467 B10R1.81 CC(=O)C(C)N1CC(C1)C 269982a_100000702820_100009814033 [0,1,0,1,0,0|2,0,0]=4 6468 B10R1.81 CC(=O)N(C)C1CN(C1)C 269982a_100016988723_200000210301 [0,1,0,1,0,0|2,0,0]=4 6469 B10R1.81 CC(=O)N(C)C1CN(C1)[13CH3] 269982a_100016988723_200025704644 [0,1,0,1,0,0|2,0,0]=4 6470 B10R1.81 CC(C)C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210206 [0,1,0,1,0,0|1,0,1]=4 6471 B10R1.81 CC(C)N(C)C1CC(=O)C1 269982a_200000211004_100009894365 [0,1,0,1,0,0|2,0,0]=4 6472 B10R1.205 C=C(C)C(=O)CCC1CC1 1458a_100000185857_100000694398 [0,1,0,1,0,0|2,0,0]=4 6473 B10R1.205 CC(=O)C(=O)CNC1CC1 34a_100000212008_100011261029 [0,1,0,1,0,0|2,0,0]=4 6474 B10R1.205 CC(=O)C(=O)CSC1CC1 62a_100011261029_100000211595 [0,1,0,1,0,0|2,0,0]=4 6475 B10R1.205 CC(=O)C(C)COC1CC1 34a_100000032740_100000211595 [0,1,0,1,0,0|2,0,0]=4 6476 B10R1.205 CC(=O)C(C)NCC1CC1 2230a_100000735609_100009814033 [0,1,0,1,0,0|2,0,0]=4 6477 B10R1.205 CC(=O)C(C)OCC1CC1 34a_100000212229_100000742324 [0,1,0,1,0,0|2,0,0]=4 6478 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100000756562_100009814033 [0,1,0,1,0,0|2,0,0]=4 6479 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100009814033_100000742324 [0,1,0,1,0,0|2,0,0]=4 6480 B10R1.205 CC(C)[C@@H](N)COC1CC1 34a_100011830312_100000211595 [0,1,0,1,0,0|1,0,1]=4 6481 B10R1.211 CC(=O)CCN(C)C1CC1 269982a_100000226674_100000053229 [0,1,0,1,0,0|2,0,0]=4 6482 B10R1.211 CC(=O)COC(C)C1CC1 1458a_200000137917_200000210301 [0,1,0,1,0,0|2,0,0]=4 6483 B10R1.211 CC(=O)NCC(O)C1CC1 11a_100000751198_100015343762 [0,1,0,1,0,0|1,0,0]=3 6484 B10R1.211 CC(=O)NCC(O)C1CC1 240690a_100000751198_100015343762 [0,1,0,1,0,0|1,0,0]=3 6485 B10R1.211 CC(=O)NCC(O)C1CC1 527a_100000751198_100103153847 [0,1,0,1,0,0|1,0,0]=3 6486 B10R1.211 CC(=O)OCN(C)C1CC1 269982a_100000226674_100000076356 [0,1,0,1,0,0|1,0,0]=3 6487 B10R1.211 CC(C)OC[C@H](N)C1CC1 34a_100020623730_100000210206 [0,1,0,1,0,0|1,0,1]=4 6488 B10R1.211 CC(OCC(=O)[13CH3])C1CC1 1458a_200000137917_200025704644 [0,1,0,1,0,0|2,0,0]=4 6489 B10R1.332 CN1CCC(=O)N(CC1)C 2230a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 6490 B10R1.332 CN1CCC(=O)N(CC1)C 269982a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 6491 B10R1.332 CN1CCC(=O)N(CC1)C 34a_100020591582_200000210301 [0,1,0,1,0,0|2,0,0]=4 6492 B10R1.332 CN1CCN(CCC1=O)[13CH3] 2230a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 6493 B10R1.332 CN1CCN(CCC1=O)[13CH3] 269982a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 6494 B10R1.332 CN1CCN(CCC1=O)[13CH3] 34a_100020591582_200025704644 [0,1,0,1,0,0|2,0,0]=4 6495 B10R1.332 C[C@H]1CNC(=O)CCN1C 2230a_102125656889_200000210301 [0,1,0,1,0,0|2,0,0]=4 6496 B10R1.332 C[C@H]1CNC(=O)CCN1C 269982a_102125656889_200000210301 [0,1,0,1,0,0|2,0,0]=4 6497 B10R1.332 C[C@H]1CNC(=O)CCN1C 34a_102125656889_200000210301 [0,1,0,1,0,0|2,0,0]=4 6498 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 2230a_102125656889_200025704644 [0,1,0,1,0,0|2,0,0]=4 6499 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 269982a_102125656889_200025704644 [0,1,0,1,0,0|2,0,0]=4 6500 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 34a_102125656889_200025704644 [0,1,0,1,0,0|2,0,0]=4 6501 B10R1.349 CC(=O)C1CN(C1)C(C)C 1458a_100011935012_200000210301 [0,1,0,1,0,0|2,0,0]=4 6502 B10R1.349 CC(=O)N1CC(C1)N(C)C 240690a_100000694738_100015343762 [0,1,0,1,0,0|2,0,0]=4 6503 B10R1.349 CC(=O)N1CC(C1)N(C)C 527a_100000694738_100103153847 [0,1,0,1,0,0|2,0,0]=4 6504 B10R1.349 CC(C)N1CC(C1)C(=O)[13CH3] 1458a_100011935012_200025704644 [0,1,0,1,0,0|2,0,0]=4 6505 B10R1.359 CC(=O)C1CCC(C1)(F)F 1458a_100000696201_200000210301 [0,1,0,1,0,0|2,0,0]=4 6506 B10R1.359 CC(=O)C1COC(O1)(C)C 1458a_100015188449_200000210301 [0,1,0,1,0,0|2,0,0]=4 6507 B10R1.359 CC(=O)N1CCC(C1)(C)C 11a_100000764714_100015343762 [0,1,0,1,0,0|1,0,0]=3 6508 B10R1.359 CC(=O)N1CCC(C1)(C)C 1626a_100000764714_100015343762 [0,1,0,1,0,0|1,0,0]=3 6509 B10R1.359 CC(=O)N1CCC(C1)(C)C 240690a_100000764714_100015343762 [0,1,0,1,0,0|1,0,0]=3 6510 B10R1.359 CC(=O)N1CCC(C1)(C)C 527a_100000764714_100103153847 [0,1,0,1,0,0|1,0,0]=3 6511 B10R1.359 CC(=O)N1CCC(C1)(C)O 11a_100000718628_100015343762 [0,1,0,1,0,0|1,0,0]=3 6512 B10R1.359 CC(=O)N1CCC(C1)(C)O 240690a_100000718628_100015343762 [0,1,0,1,0,0|1,0,0]=3 6513 B10R1.359 CC(=O)N1CCC(C1)(C)O 527a_100000718628_100103153847 [0,1,0,1,0,0|1,0,0]=3 6514 B10R1.359 CC(=O)N1CCC(C1)(F)F 11a_100000697292_100015343762 [0,1,0,1,0,0|2,0,0]=4 6515 B10R1.359 CC(=O)N1CCC(C1)(F)F 1626a_100000697292_100015343762 [0,1,0,1,0,0|2,0,0]=4 6516 B10R1.359 CC(=O)N1CCC(C1)(F)F 240690a_100000697292_100015343762 [0,1,0,1,0,0|2,0,0]=4 6517 B10R1.359 CC(=O)N1CCC(C1)(F)F 527a_100000697292_100103153847 [0,1,0,1,0,0|2,0,0]=4 6518 B10R1.359 CC1(OCC(O1)C(=O)[13CH3])C 1458a_100015188449_200025704644 [0,1,0,1,0,0|2,0,0]=4 6519 B10R1.359 [13CH3]C(=O)C1CCC(C1)(F)F 1458a_100000696201_200025704644 [0,1,0,1,0,0|2,0,0]=4 6520 B10R1.470 CC(=O)C1(CCN(C1)C)C 1458a_100011814562_200000210301 [0,1,0,1,0,0|2,0,0]=4 6521 B10R1.470 CN1CCC(C1)(C)C(=O)[13CH3] 1458a_100011814562_200025704644 [0,1,0,1,0,0|2,0,0]=4 6522 B10R1.268 CC(=O)CS(=O)CC1CC1 1458a_100011387478_200000210301 [0,1,0,1,0,0|2,0,0]=4 6523 B10R1.268 CC(=O)OC(C)SC1CC1 62a_100009818208_100000211595 [0,1,0,1,0,0|1,0,0]=3 6524 B10R1.268 CC(C)CC(C)OC1CC1 34a_100000211805_100000211595 [0,1,0,1,0,0|1,0,1]=4 6525 B10R1.268 [13CH3]C(=O)CS(=O)CC1CC1 1458a_100011387478_200025704644 [0,1,0,1,0,0|2,0,0]=4 6526 B10R1.371 CC(=O)CC1CC(C1)(F)F 1458a_100000070787_100009886855 [0,1,0,1,0,0|2,0,0]=4 6527 B10R1.371 CC(=O)CC1CC(C1)(F)F 1458a_100010381176_200000210301 [0,1,0,1,0,0|2,0,0]=4 6528 B10R1.371 CC(=O)NC1CC(C1)(F)F 11a_100000756238_100015343762 [0,1,0,1,0,0|2,0,0]=4 6529 B10R1.371 CC(=O)NC1CC(C1)(F)F 1626a_100000756238_100015343762 [0,1,0,1,0,0|2,0,0]=4 6530 B10R1.371 CC(=O)NC1CC(C1)(F)F 240690a_100000756238_100015343762 [0,1,0,1,0,0|2,0,0]=4 6531 B10R1.371 CC(=O)NC1CC(C1)(F)F 527a_100000756238_100103153847 [0,1,0,1,0,0|2,0,0]=4 6532 B10R1.371 CC(=O)N[C@H]1C[C@@](C1)(C)O 11a_100121572536_100015343762 [0,1,0,1,0,0|1,0,0]=3 6533 B10R1.371 CC(=O)N[C@H]1C[C@@](C1)(C)O 1626a_100121572536_100015343762 [0,1,0,1,0,0|1,0,0]=3 6534 B10R1.371 CC(=O)N[C@H]1C[C@@](C1)(C)O 240690a_100121572536_100015343762 [0,1,0,1,0,0|1,0,0]=3 6535 B10R1.371 CC(=O)N[C@H]1C[C@@](C1)(C)O 527a_100121572536_100103153847 [0,1,0,1,0,0|1,0,0]=3 6536 B10R1.371 [13CH3]C(=O)CC1CC(C1)(F)F 1458a_100010381176_200025704644 [0,1,0,1,0,0|2,0,0]=4 6537 B10R1.55 C[C@@H]1CCN(C1)S(=O)(=O)C 40a_100016987628_100000738038 [0,1,0,1,0,0|2,0,0]=4 6538 B10R1.72 CC1CC1COC(C)(C)C 34a_100000744939_100000210625 [0,1,0,1,0,0|1,0,1]=4 6539 B10R1.112 CC(C)(C)SC1CC(=O)C1 62a_100009894365_100000211941 [0,1,0,1,0,0|2,0,0]=4 6540 B10R1.112 CN1CC(C1)OS(=O)(=O)C 269982a_100102886914_200000210301 [0,1,0,1,0,0|2,0,0]=4 6541 B10R1.112 CS(=O)(=O)OC1CN(C1)[13CH3] 269982a_100102886914_200025704644 [0,1,0,1,0,0|2,0,0]=4 6542 B10R1.210 CC(C)(C)OCCC1CC1 34a_100000754188_100000210625 [0,1,0,1,0,0|1,0,1]=4 6543 B10R1.210 CC(C)(C)OCCC1CC1 34a_100015890283_100000694398 [0,1,0,1,0,0|1,0,1]=4 6544 B10R1.210 CC(C)(C)OCCC1CC1 7a_100015890283_100000764125 [0,1,0,1,0,0|1,0,1]=4 6545 B10R1.210 CS(=O)(=O)NCCC1CC1 40a_100000764129_100000738038 [0,1,0,1,0,0|2,0,0]=4 6546 B10R2.357 CC(=O)N1CC2CC2C1 11a_100000741873_100015343762 [0,0,0,2,0,0|1,0,0]=3 6547 B10R2.357 CC(=O)N1CC2CC2C1 1626a_100000741873_100015343762 [0,0,0,2,0,0|1,0,0]=3 6548 B10R2.357 CC(=O)N1CC2CC2C1 240690a_100000741873_100015343762 [0,0,0,2,0,0|1,0,0]=3 6549 B10R2.357 CC(=O)N1CC2CC2C1 527a_100000741873_100103153847 [0,0,0,2,0,0|1,0,0]=3 6550 B10R2.75 CC1CC1COC2CC2 34a_100000744939_100000211595 [0,0,0,2,0,0|1,0,1]=4 6551 B10R2.267 O=C1CC(C1)SC2CC2 62a_100009894365_100000211595 [0,0,0,2,0,0|2,0,0]=4 6552 B10R2.365 CC(=O)NC12CC(C1)C2 11a_100016993715_100015343762 [0,0,0,2,0,0|1,0,0]=3 6553 B10R2.365 CC(=O)NC12CC(C1)C2 1626a_100016993715_100015343762 [0,0,0,2,0,0|1,0,0]=3 6554 B10R2.365 CC(=O)NC12CC(C1)C2 240690a_100016993715_100015343762 [0,0,0,2,0,0|1,0,0]=3 6555 B10R2.365 CC(=O)NC12CC(C1)C2 527a_100016993715_100103153847 [0,0,0,2,0,0|1,0,0]=3 6556 B10R2.410 C(CC1CC1)OC2CC2 34a_100000754188_100000211595 [0,0,0,2,0,0|1,0,1]=4 6557 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,0,0,2,0|0,0,2]=4 6558 B6R0.2 C=C(C)CN(C)C 2230a_100000225649_200000210301 [0,0,0,0,2,0|2,0,0]=4 6559 B6R0.2 C=C(C)CN(C)C 2230a_100102631434_100000748629 [0,0,0,0,2,0|2,0,0]=4 6560 B6R0.2 C=C(C)CN(C)C 269982a_100000225649_200000210301 [0,0,0,0,2,0|2,0,0]=4 6561 B6R0.2 C=C(C)CN(C)C 269982a_100102631434_100000748629 [0,0,0,0,2,0|2,0,0]=4 6562 B6R0.2 C=C(C)CN(C)[13CH3] 2230a_100000225649_200025704644 [0,0,0,0,2,0|2,0,0]=4 6563 B6R0.2 C=C(C)CN(C)[13CH3] 269982a_100000225649_200025704644 [0,0,0,0,2,0|2,0,0]=4 6564 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,0,0,2,0|0,0,2]=4 6565 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,0,0,2,0|0,0,2]=4 6566 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,2,0|0,0,0]=2 6567 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,2,0|0,0,0]=2 6568 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,0,0,2,0|1,0,0]=3 6569 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,0,0,0,2,0|2,0,0]=4 6570 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,0,0,2,0|1,0,0]=3 6571 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,0,0,2,0|1,0,0]=3 6572 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,0,0,2,0|1,0,0]=3 6573 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [0,0,0,0,2,0|1,0,0]=3 6574 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [0,0,0,0,2,0|1,0,0]=3 6575 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [0,0,0,0,2,0|1,0,0]=3 6576 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [0,0,0,0,2,0|1,0,0]=3 6577 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,2,0|0,0,0]=2 6578 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,0,0,0,2,0|2,0,0]=4 6579 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,0,0,0,2,0|2,0,0]=4 6580 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,0,0,0,2,0|2,0,0]=4 6581 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,0,0,0,2,0|2,0,0]=4 6582 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,0,0,0,2,0|2,0,0]=4 6583 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,0,0,0,2,0|2,0,0]=4 6584 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,0,0,0,2,0|2,0,0]=4 6585 B6R0.2 CC(C)OC(C)C 34a_100000212225_100000210206 [0,0,0,0,2,0|1,0,1]=4 6586 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,0,0,0,2,0|2,0,0]=4 6587 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,0,0,0,2,0|2,0,0]=4 6588 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,0,0,0,2,0|2,0,0]=4 6589 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,0,0,0,2,0|2,0,0]=4 6590 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,0,0,2,0|1,0,0]=3 6591 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,0,0,0,2,0|2,0,0]=4 6592 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,0,0,0,2,0|2,0,0]=4 6593 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,0,0,0,2,0|2,0,0]=4 6594 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,0,0,2,0|1,0,0]=3 6595 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,0,0,2,0|1,0,0]=3 6596 B10R0.97 C=C(Br)CCOCCC(C)C 34a_100009813270_100000210312 [0,0,0,0,0,2|1,0,1]=4 6597 B10R0.97 C=C(C)CCOCCC(=O)C 34a_100000759926_100000730704 [0,0,0,0,0,2|0,0,2]=4 6598 B10R0.97 C=C(C)CCOCCC(=O)C 7a_100000759926_100000730704 [0,0,0,0,0,2|0,0,2]=4 6599 B10R0.97 C=C(C)CCOCCC(C)Br 34a_100009893172_100000730704 [0,0,0,0,0,2|2,0,0]=4 6600 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [0,0,0,0,0,2|1,0,0]=3 6601 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [0,0,0,0,0,2|1,0,0]=3 6602 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [0,0,0,0,0,2|1,0,0]=3 6603 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [0,0,0,0,0,2|2,0,0]=4 6604 B10R0.97 C=C(C)CCOCC[C@@H](C)N 34a_100000706166_100000730704 [0,0,0,0,0,2|2,0,0]=4 6605 B10R0.97 C=C(C)CCOCOC(=O)C 34a_100000764851_100009813279 [0,0,0,0,0,2|0,0,2]=4 6606 B10R0.97 C=C(C)CCOCOC(C)C 34a_100000764851_100000709892 [0,0,0,0,0,2|2,0,0]=4 6607 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000210312_100000730704 [0,0,0,0,0,2|1,1,0]=4 6608 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000730704_100000210312 [0,0,0,0,0,2|1,1,0]=4 6609 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000076356_100000730704 [0,0,0,0,0,2|0,0,2]=4 6610 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000730704_100000076356 [0,0,0,0,0,2|0,0,2]=4 6611 B10R0.97 C=C(C)CCSCOC(C)C 62a_100000709892_100000730704 [0,0,0,0,0,2|2,0,0]=4 6612 B10R0.97 C=C(C)CCSCOC(C)C 62a_100000730704_100000709892 [0,0,0,0,0,2|2,0,0]=4 6613 B10R0.97 C=C(C)CNCCCC(C)C 2230a_200000737386_100000748629 [0,0,0,0,0,2|2,0,0]=4 6614 B10R0.97 C=C(C)CNCCCC(C)C 34a_200000737386_100000748629 [0,0,0,0,0,2|2,0,0]=4 6615 B10R0.97 C=C(C)CNCCOC(C)C 2230a_100000701111_100000748629 [0,0,0,0,0,2|2,0,0]=4 6616 B10R0.97 C=C(C)CNCCOC(C)C 34a_100000701111_100000748629 [0,0,0,0,0,2|2,0,0]=4 6617 B10R0.97 C=C(C)CNCCSC(C)C 2230a_100000731138_100000748629 [0,0,0,0,0,2|2,0,0]=4 6618 B10R0.97 C=C(C)CNCCSC(C)C 34a_100000731138_100000748629 [0,0,0,0,0,2|2,0,0]=4 6619 B10R0.97 C=C(C)COCCC=C(C)C 34a_100000210245_100011217483 [0,0,0,0,0,2|1,0,1]=4 6620 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210245_100011214892 [0,0,0,0,0,2|1,0,0]=3 6621 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210774_100000748629 [0,0,0,0,0,2|1,0,0]=3 6622 B10R0.97 C=C(C)COCCCC(C)C 7a_100000210774_100000748629 [0,0,0,0,0,2|1,0,0]=3 6623 B10R0.97 C=C(C)COCCCC(C)O 34a_100000210245_200000718107 [0,0,0,0,0,2|2,0,0]=4 6624 B10R0.97 C=C(C)COCCNC(C)C 34a_100000224655_100000748629 [0,0,0,0,0,2|1,0,0]=3 6625 B10R0.97 C=C(C)COCCOC(=O)C 34a_100000210245_100009814007 [0,0,0,0,0,2|0,0,2]=4 6626 B10R0.97 C=C(C)COCCOC(C)C 34a_100000210245_100000211751 [0,0,0,0,0,2|1,0,0]=3 6627 B10R0.97 C=C(C)COCCOC(C)C 34a_100000211219_100000748629 [0,0,0,0,0,2|1,0,0]=3 6628 B10R0.97 C=C(C)COCCOC(C)C 7a_100000211219_100000748629 [0,0,0,0,0,2|1,0,0]=3 6629 B10R0.97 C=C(C)COCCSC(C)C 34a_100000210245_100000730970 [0,0,0,0,0,2|1,0,0]=3 6630 B10R0.97 C=C(C)COCCSC(C)C 34a_200011212901_100000748629 [0,0,0,0,0,2|1,0,0]=3 6631 B10R0.97 C=C(C)COCCSC(C)C 7a_200011212901_100000748629 [0,0,0,0,0,2|1,0,0]=3 6632 B10R0.97 C=C(C)CSCCCC(C)C 62a_100000748629_100011214892 [0,0,0,0,0,2|1,1,0]=4 6633 B10R0.97 C=C(C)CSCCCC(C)C 62a_100011214892_100000211660 [0,0,0,0,0,2|1,1,0]=4 6634 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100000748629_100009814007 [0,0,0,0,0,2|0,0,2]=4 6635 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100009814007_100000211660 [0,0,0,0,0,2|0,0,2]=4 6636 B10R0.97 C=C(C)CSCCOC(C)C 62a_100000211751_100000211660 [0,0,0,0,0,2|1,1,0]=4 6637 B10R0.97 C=C(C)CSCCOC(C)C 62a_100000748629_100000211751 [0,0,0,0,0,2|1,1,0]=4 6638 B10R0.97 C=C(C)CSCCSC(C)C 62a_100000730970_100000211660 [0,0,0,0,0,2|1,1,0]=4 6639 B10R0.97 C=C(C)CSCCSC(C)C 62a_100000748629_100000730970 [0,0,0,0,0,2|1,1,0]=4 6640 B10R0.97 C=C(F)COCCCC(C)C 34a_100000210774_100009893438 [0,0,0,0,0,2|1,0,1]=4 6641 B10R0.97 C=C(F)COCCCC(C)C 34a_200010262243_100011214892 [0,0,0,0,0,2|1,0,1]=4 6642 B10R0.97 C=C(F)COCCCC(C)C 7a_100000210774_100000042424 [0,0,0,0,0,2|1,0,1]=4 6643 B10R0.97 C=C(F)COCCNC(C)C 34a_100000224655_100009893438 [0,0,0,0,0,2|1,0,1]=4 6644 B10R0.97 C=C(F)COCCOC(C)C 34a_100000211219_100009893438 [0,0,0,0,0,2|1,0,1]=4 6645 B10R0.97 C=C(F)COCCOC(C)C 34a_200010262243_100000211751 [0,0,0,0,0,2|1,0,1]=4 6646 B10R0.97 C=C(F)COCCOC(C)C 7a_100000211219_100000042424 [0,0,0,0,0,2|1,0,1]=4 6647 B10R0.97 C=C(F)COCCSC(C)C 34a_200010262243_100000730970 [0,0,0,0,0,2|1,0,1]=4 6648 B10R0.97 C=C(F)COCCSC(C)C 34a_200011212901_100009893438 [0,0,0,0,0,2|1,0,1]=4 6649 B10R0.97 C=C(F)COCCSC(C)C 7a_200011212901_100000042424 [0,0,0,0,0,2|1,0,1]=4 6650 B10R0.97 CC(=CCCNCC(C)C)C 2230a_100000210953_100011217483 [0,0,0,0,0,2|2,0,0]=4 6651 B10R0.97 CC(=CCCNCC(C)C)C 34a_100000210953_100011217483 [0,0,0,0,0,2|2,0,0]=4 6652 B10R0.97 CC(=CCCOCC(C)C)C 34a_100000210257_100011217483 [0,0,0,0,0,2|2,0,0]=4 6653 B10R0.97 CC(=CCCSCC(C)C)C 62a_100000210624_100011217483 [0,0,0,0,0,2|2,0,0]=4 6654 B10R0.97 CC(=CCCSCC(C)C)C 62a_100011217483_100000210760 [0,0,0,0,0,2|2,0,0]=4 6655 B10R0.97 CC(=CCNCCC(C)C)C 34a_100000718196_100000210312 [0,0,0,0,0,2|2,0,0]=4 6656 B10R0.97 CC(=CCNCOC(C)C)C 34a_100000718196_100000709892 [0,0,0,0,0,2|2,0,0]=4 6657 B10R0.97 CC(=CCOCCC(C)Br)C 34a_100009893172_100000761012 [0,0,0,0,0,2|2,0,0]=4 6658 B10R0.97 CC(=CCOCCC(C)C)C 34a_100000210254_100000761012 [0,0,0,0,0,2|1,0,0]=3 6659 B10R0.97 CC(=CCOCCC(C)C)C 34a_100000753907_100000210312 [0,0,0,0,0,2|1,0,0]=3 6660 B10R0.97 CC(=CCOCCC(C)C)C 7a_100000210254_100000761012 [0,0,0,0,0,2|1,0,0]=3 6661 B10R0.97 CC(=CCOCCC(C)O)C 34a_100000753907_100012276601 [0,0,0,0,0,2|2,0,0]=4 6662 B10R0.97 CC(=CCOCC[C@@H](C)N)C 34a_100000706166_100000761012 [0,0,0,0,0,2|2,0,0]=4 6663 B10R0.97 CC(=CCOCOC(C)C)C 34a_100000753907_100000709892 [0,0,0,0,0,2|2,0,0]=4 6664 B10R0.97 CC(=CCSCCC(C)C)C 62a_100000210312_100000761012 [0,0,0,0,0,2|1,1,0]=4 6665 B10R0.97 CC(=CCSCCC(C)C)C 62a_100000761012_100000210312 [0,0,0,0,0,2|1,1,0]=4 6666 B10R0.97 CC(=CCSCOC(C)C)C 62a_100000709892_100000761012 [0,0,0,0,0,2|2,0,0]=4 6667 B10R0.97 CC(=CCSCOC(C)C)C 62a_100000761012_100000709892 [0,0,0,0,0,2|2,0,0]=4 6668 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,0,0,0,0,2|1,0,0]=3 6669 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,0,0,0,0,2|1,0,0]=3 6670 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,0,0,0,0,2|1,0,0]=3 6671 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,0,0,0,0,2|1,0,1]=4 6672 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,0,0,0,0,2|1,0,0]=3 6673 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,0,0,0,0,2|1,0,0]=3 6674 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,0,0,0,0,2|1,0,0]=3 6675 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,0,0,0,0,2|1,0,0]=3 6676 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,0,0,0,0,2|2,0,0]=4 6677 B10R0.97 CC(=O)CCCOCC(=O)C 34a_100000211253_100000685027 [0,0,0,0,0,2|1,0,1]=4 6678 B10R0.97 CC(=O)CCCOCC(C)Br 34a_100012180447_100000685027 [0,0,0,0,0,2|2,0,0]=4 6679 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,0,0,0,0,2|1,0,0]=3 6680 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,0,0,0,0,2|1,0,0]=3 6681 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,0,0,0,0,2|1,0,0]=3 6682 B10R0.97 CC(=O)CCCOCC(C)F 34a_100015925927_100000685027 [0,0,0,0,0,2|2,0,0]=4 6683 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,0,0,0,0,2|2,0,0]=4 6684 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,0,0,0,0,2|2,0,0]=4 6685 B10R0.97 CC(=O)CCCOC[C@@H](C)Cl 34a_100016084084_100000685027 [0,0,0,0,0,2|2,0,0]=4 6686 B10R0.97 CC(=O)CCCOC[C@@H](C)N 34a_100000737577_100000685027 [0,0,0,0,0,2|2,0,0]=4 6687 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,0,0,0,0,2|2,0,0]=4 6688 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,0,0,0,0,2|2,0,0]=4 6689 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,0,0,0,0,2|1,0,0]=3 6690 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,0,0,0,0,2|1,0,0]=3 6691 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,0,0,0,0,2|2,0,0]=4 6692 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,0,0,0,0,2|2,0,0]=4 6693 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,0,0,0,0,2|2,0,0]=4 6694 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,0,0,0,0,2|2,0,0]=4 6695 B10R0.97 CC(=O)CCOCC=C(C)C 34a_100000759926_100000761012 [0,0,0,0,0,2|0,0,2]=4 6696 B10R0.97 CC(=O)CCOCC=C(C)C 7a_100000759926_100000761012 [0,0,0,0,0,2|0,0,2]=4 6697 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [0,0,0,0,0,2|1,0,1]=4 6698 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,0,0,0,0,2|0,0,0]=2 6699 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,0,0,0,0,2|0,0,0]=2 6700 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,0,0,0,0,2|0,0,0]=2 6701 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,0,0,0,0,2|1,0,0]=3 6702 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,0,0,0,0,2|1,0,0]=3 6703 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [0,0,0,0,0,2|1,0,0]=3 6704 B10R0.97 CC(=O)CCOCOC(=O)C 34a_100000759926_100009813279 [0,0,0,0,0,2|1,0,1]=4 6705 B10R0.97 CC(=O)CCOCOC(C)C 34a_100000759926_100000709892 [0,0,0,0,0,2|1,0,0]=3 6706 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000053229_100000761012 [0,0,0,0,0,2|1,0,1]=4 6707 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000761012_100000053229 [0,0,0,0,0,2|1,0,1]=4 6708 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,0,0,0,0,2|0,1,0]=3 6709 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,0,0,0,0,2|0,1,0]=3 6710 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,0,0,0,0,2|1,1,0]=4 6711 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,0,0,0,0,2|1,1,0]=4 6712 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [0,0,0,0,0,2|1,1,0]=4 6713 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [0,0,0,0,0,2|1,0,1]=4 6714 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [0,0,0,0,0,2|1,0,1]=4 6715 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000053229_100000709892 [0,0,0,0,0,2|1,0,0]=3 6716 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000709892_100000053229 [0,0,0,0,0,2|1,0,0]=3 6717 B10R0.97 CC(=O)COCCC=C(C)C 34a_100000211253_100011217483 [0,0,0,0,0,2|0,0,1]=3 6718 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,0,0,0,0,2|0,0,0]=2 6719 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,0,0,0,0,2|1,0,0]=3 6720 B10R0.97 CC(=O)COCCOC(=O)C 34a_100000211253_100009814007 [0,0,0,0,0,2|1,0,1]=4 6721 B10R0.97 CC(=O)COCCOC(C)C 34a_100000211253_100000211751 [0,0,0,0,0,2|0,0,0]=2 6722 B10R0.97 CC(=O)COCCSC(C)C 34a_100000211253_100000730970 [0,0,0,0,0,2|0,0,0]=2 6723 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [0,0,0,0,0,2|2,0,0]=4 6724 B10R0.97 CC(=O)NCCCNC(C)C 34a_100000736810_100000210206 [0,0,0,0,0,2|1,0,0]=3 6725 B10R0.97 CC(=O)NCCCOC(C)C 11a_100000737246_100015343762 [0,0,0,0,0,2|1,0,0]=3 6726 B10R0.97 CC(=O)NCCCOC(C)C 1626a_100000737246_100015343762 [0,0,0,0,0,2|1,0,0]=3 6727 B10R0.97 CC(=O)NCCCOC(C)C 240690a_100000737246_100015343762 [0,0,0,0,0,2|1,0,0]=3 6728 B10R0.97 CC(=O)NCCCOC(C)C 34a_100000752032_100000210206 [0,0,0,0,0,2|1,0,0]=3 6729 B10R0.97 CC(=O)NCCCOC(C)C 527a_100000737246_100103153847 [0,0,0,0,0,2|1,0,0]=3 6730 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000209853_100000210760 [0,0,0,0,0,2|1,0,0]=3 6731 B10R0.97 CC(=O)NCCNCC(C)C 2230a_100000210953_100000189650 [0,0,0,0,0,2|1,0,0]=3 6732 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [0,0,0,0,0,2|2,0,0]=4 6733 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [0,0,0,0,0,2|2,0,0]=4 6734 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [0,0,0,0,0,2|2,0,0]=4 6735 B10R0.97 CC(=O)NCCOCC(C)C 34a_100000158858_100000210624 [0,0,0,0,0,2|1,0,0]=3 6736 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [0,0,0,0,0,2|2,0,0]=4 6737 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [0,0,0,0,0,2|2,0,0]=4 6738 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000189650_100000210760 [0,0,0,0,0,2|1,0,0]=3 6739 B10R0.97 CC(=O)NCCSCC(C)C 62a_100000210624_100000189650 [0,0,0,0,0,2|1,0,0]=3 6740 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [0,0,0,0,0,2|2,0,0]=4 6741 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [0,0,0,0,0,2|2,0,0]=4 6742 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [0,0,0,0,0,2|2,0,0]=4 6743 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [0,0,0,0,0,2|2,0,0]=4 6744 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,0,0,0,0,2|1,0,0]=3 6745 B10R0.97 CC(=O)OCCCNC(C)C 34a_100138425928_100000042594 [0,0,0,0,0,2|0,0,0]=2 6746 B10R0.97 CC(=O)OCCCOC(C)C 34a_100000212225_100000042594 [0,0,0,0,0,2|0,0,0]=2 6747 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000042594_100000210206 [0,0,0,0,0,2|0,0,0]=2 6748 B10R0.97 CC(=O)OCCCSC(C)C 62a_100000210206_100000042594 [0,0,0,0,0,2|0,0,0]=2 6749 B10R0.97 CC(=O)OCCNCC(C)C 34a_100000210953_100009814007 [0,0,0,0,0,2|0,0,0]=2 6750 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,0,0,0,0,2|1,0,0]=3 6751 B10R0.97 CC(=O)OCCNCC(F)F 34a_100000765723_100009814007 [0,0,0,0,0,2|2,0,0]=4 6752 B10R0.97 CC(=O)OCCOCC(C)Br 34a_100012180447_100009814007 [0,0,0,0,0,2|1,0,0]=3 6753 B10R0.97 CC(=O)OCCOCC(C)C 34a_100000210257_100009814007 [0,0,0,0,0,2|0,0,0]=2 6754 B10R0.97 CC(=O)OCCOCC(C)F 34a_100015925927_100009814007 [0,0,0,0,0,2|1,0,0]=3 6755 B10R0.97 CC(=O)OCCOCC(F)F 34a_100000743014_100009814007 [0,0,0,0,0,2|2,0,0]=4 6756 B10R0.97 CC(=O)OCCOCN(C)C 269982a_100102631434_100000076355 [0,0,0,0,0,2|1,0,0]=3 6757 B10R0.97 CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100009814007 [0,0,0,0,0,2|1,0,0]=3 6758 B10R0.97 CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100009814007 [0,0,0,0,0,2|1,0,0]=3 6759 B10R0.97 CC(=O)OCCSCC(C)C 62a_100000210624_100009814007 [0,0,0,0,0,2|0,0,0]=2 6760 B10R0.97 CC(=O)OCCSCC(C)C 62a_100009814007_100000210760 [0,0,0,0,0,2|0,0,0]=2 6761 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,0,0,0,0,2|1,0,0]=3 6762 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,0,0,0,0,2|1,0,0]=3 6763 B10R0.97 CC(=O)OCCSCC(F)F 62a_100009814007_100011934356 [0,0,0,0,0,2|2,0,0]=4 6764 B10R0.97 CC(=O)OCCSCC(F)F 62a_100011934356_100009814007 [0,0,0,0,0,2|2,0,0]=4 6765 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,0,0,0,0,2|1,0,0]=3 6766 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,0,0,0,0,2|1,0,0]=3 6767 B10R0.97 CC(=O)OCNCC=C(C)C 34a_100000718196_100009813279 [0,0,0,0,0,2|0,0,1]=3 6768 B10R0.97 CC(=O)OCOCC=C(C)C 34a_100000753907_100009813279 [0,0,0,0,0,2|0,0,1]=3 6769 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [0,0,0,0,0,2|1,0,0]=3 6770 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [0,0,0,0,0,2|0,0,0]=2 6771 B10R0.97 CC(=O)OCOCCC(F)F 34a_100103093639_100009813279 [0,0,0,0,0,2|2,0,0]=4 6772 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [0,0,0,0,0,2|1,0,0]=3 6773 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000076356_100000761012 [0,0,0,0,0,2|0,0,1]=3 6774 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000761012_100000076356 [0,0,0,0,0,2|0,0,1]=3 6775 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [0,0,0,0,0,2|0,0,0]=2 6776 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [0,0,0,0,0,2|0,0,0]=2 6777 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,0,0,0,0,2|1,0,0]=3 6778 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,0,0,0,0,2|1,0,0]=3 6779 B10R0.97 CC(=O)OCSCCN(C)C 62a_100000076356_100000755713 [0,0,0,0,0,2|1,0,0]=3 6780 B10R0.97 CC(=O)OCSCOC(=O)C 62a_100000076356_100000076356 [0,0,0,0,0,2|1,0,1]=4 6781 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000076356_100000709892 [0,0,0,0,0,2|0,0,0]=2 6782 B10R0.97 CC(=O)OCSCOC(C)C 62a_100000709892_100000076356 [0,0,0,0,0,2|0,0,0]=2 6783 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [0,0,0,0,0,2|1,1,0]=4 6784 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [0,0,0,0,0,2|1,1,0]=4 6785 B10R0.97 CC(=O)SCCCNC(C)C 2230a_100138425928_100000038929 [0,0,0,0,0,2|0,1,0]=3 6786 B10R0.97 CC(=O)SCCCNC(C)C 34a_100138425928_100000038929 [0,0,0,0,0,2|0,1,0]=3 6787 B10R0.97 CC(=O)SCCCOC(C)C 34a_100000212225_100000038929 [0,0,0,0,0,2|0,1,0]=3 6788 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000038929_100000210206 [0,0,0,0,0,2|0,1,0]=3 6789 B10R0.97 CC(=O)SCCCSC(C)C 62a_100000210206_100000038929 [0,0,0,0,0,2|0,1,0]=3 6790 B10R0.97 CC(=S)OCCCNC(C)C 2230a_100138425928_200135323944 [0,0,0,0,0,2|0,1,0]=3 6791 B10R0.97 CC(=S)OCCCNC(C)C 34a_100138425928_200135323944 [0,0,0,0,0,2|0,1,0]=3 6792 B10R0.97 CC(=S)OCCCOC(C)C 34a_100000212225_200135323944 [0,0,0,0,0,2|0,1,0]=3 6793 B10R0.97 CC(=S)OCCCSC(C)C 62a_100000210206_200135323944 [0,0,0,0,0,2|0,1,0]=3 6794 B10R0.97 CC(=S)OCCCSC(C)C 62a_200135323944_100000210206 [0,0,0,0,0,2|0,1,0]=3 6795 B10R0.97 CC(Br)CCOCCC(=O)N 34a_100009893172_100000731001 [0,0,0,0,0,2|2,0,0]=4 6796 B10R0.97 CC(Br)COCCOC(=O)N 34a_100012180447_200011214921 [0,0,0,0,0,2|2,0,0]=4 6797 B10R0.97 CC(Br)COCCOC(C)C 34a_100012180447_100000211751 [0,0,0,0,0,2|1,0,1]=4 6798 B10R0.97 CC(Br)COCCSC(C)C 34a_100012180447_100000730970 [0,0,0,0,0,2|1,0,1]=4 6799 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,0,0,0,0,2|1,0,0]=3 6800 B10R0.97 CC(C)CCCCOC(C)C 34a_100000212225_100011216152 [0,0,0,0,0,2|1,0,1]=4 6801 B10R0.97 CC(C)CCCCOC(C)C 34a_100011214890_100000210206 [0,0,0,0,0,2|1,0,1]=4 6802 B10R0.97 CC(C)CCCCOC(C)C 7a_100011214890_100000210206 [0,0,0,0,0,2|1,0,1]=4 6803 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [0,0,0,0,0,2|2,0,0]=4 6804 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [0,0,0,0,0,2|2,0,0]=4 6805 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [0,0,0,0,0,2|2,0,0]=4 6806 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,0,0,0,0,2|2,0,0]=4 6807 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [0,0,0,0,0,2|2,0,0]=4 6808 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [0,0,0,0,0,2|1,0,0]=3 6809 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [0,0,0,0,0,2|1,0,0]=3 6810 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [0,0,0,0,0,2|1,0,0]=3 6811 B10R0.97 CC(C)CCCOCC(C)Br 34a_100012180447_100011214892 [0,0,0,0,0,2|1,0,1]=4 6812 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210257_100011214892 [0,0,0,0,0,2|1,0,1]=4 6813 B10R0.97 CC(C)CCCOCC(C)C 34a_100000210774_100000210624 [0,0,0,0,0,2|1,0,1]=4 6814 B10R0.97 CC(C)CCCOCC(C)C 7a_100000210774_100000210760 [0,0,0,0,0,2|1,0,1]=4 6815 B10R0.97 CC(C)CCCOCC(C)F 34a_100015925927_100011214892 [0,0,0,0,0,2|1,0,1]=4 6816 B10R0.97 CC(C)CCCOCC(C)O 34a_100000210774_100011218427 [0,0,0,0,0,2|0,0,2]=4 6817 B10R0.97 CC(C)CCCOCC(C)O 7a_100000210774_100011218427 [0,0,0,0,0,2|0,0,2]=4 6818 B10R0.97 CC(C)CCCOC[C@@H](C)Cl 34a_100016084084_100011214892 [0,0,0,0,0,2|1,0,1]=4 6819 B10R0.97 CC(C)CCCOC[C@@H](C)N 34a_100000737577_100011214892 [0,0,0,0,0,2|1,0,1]=4 6820 B10R0.97 CC(C)CCCOC[C@@H](C)O 34a_100000210774_100009817552 [0,0,0,0,0,2|0,0,2]=4 6821 B10R0.97 CC(C)CCCOC[C@@H](C)O 7a_100000210774_100009817552 [0,0,0,0,0,2|0,0,2]=4 6822 B10R0.97 CC(C)CCCOC[N+](=O)[O-] 34a_100000210774_100000761209 [0,0,0,0,0,2|2,0,0]=4 6823 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [0,0,0,0,0,2|1,1,0]=4 6824 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [0,0,0,0,0,2|1,1,0]=4 6825 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [0,0,0,0,0,2|1,1,0]=4 6826 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [0,0,0,0,0,2|1,1,0]=4 6827 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [0,0,0,0,0,2|2,0,0]=4 6828 B10R0.97 CC(C)CCNOCC(=O)O 269956a_100000106656_100000210312 [0,0,0,0,0,2|1,0,0]=3 6829 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [0,0,0,0,0,2|1,0,0]=3 6830 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [0,0,0,0,0,2|1,0,0]=3 6831 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [0,0,0,0,0,2|1,0,0]=3 6832 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [0,0,0,0,0,2|1,0,0]=3 6833 B10R0.97 CC(C)CCOCCC(C)Br 34a_100009893172_100000210312 [0,0,0,0,0,2|1,0,1]=4 6834 B10R0.97 CC(C)CCOCCC(C)C 34a_100000210254_100000210312 [0,0,0,0,0,2|1,0,1]=4 6835 B10R0.97 CC(C)CCOCCC(C)C 7a_100000210254_100000210626 [0,0,0,0,0,2|1,0,1]=4 6836 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [0,0,0,0,0,2|0,0,2]=4 6837 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [0,0,0,0,0,2|0,0,2]=4 6838 B10R0.97 CC(C)CCOCCN(C)C 7a_100000210254_100000755713 [0,0,0,0,0,2|2,0,0]=4 6839 B10R0.97 CC(C)CCOCC[C@@H](C)N 34a_100000706166_100000210312 [0,0,0,0,0,2|1,0,1]=4 6840 B10R0.97 CC(C)CCOCOC(C)C 34a_100000210254_100000709892 [0,0,0,0,0,2|1,0,1]=4 6841 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [0,0,0,0,0,2|1,1,0]=4 6842 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [0,0,0,0,0,2|1,1,0]=4 6843 B10R0.97 CC(C)CCSCOC(C)C 62a_100000210312_100000709892 [0,0,0,0,0,2|1,0,1]=4 6844 B10R0.97 CC(C)CCSCOC(C)C 62a_100000709892_100000210312 [0,0,0,0,0,2|1,0,1]=4 6845 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [0,0,0,0,0,2|2,0,0]=4 6846 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [0,0,0,0,0,2|2,0,0]=4 6847 B10R0.97 CC(C)CNCCCS(=O)C 2230a_200000753449_100000210760 [0,0,0,0,0,2|2,0,0]=4 6848 B10R0.97 CC(C)CNCCCS(=O)C 270004a_200000753449_100000210432 [0,0,0,0,0,2|2,0,0]=4 6849 B10R0.97 CC(C)CNCCNC(=O)N 2230a_100000210953_200000034859 [0,0,0,0,0,2|2,0,0]=4 6850 B10R0.97 CC(C)CNCCNC(=O)N 34a_100020590234_100000210624 [0,0,0,0,0,2|2,0,0]=4 6851 B10R0.97 CC(C)CNCCOC(=O)N 34a_100000210953_200011214921 [0,0,0,0,0,2|1,0,0]=3 6852 B10R0.97 CC(C)CNCCOC(C)C 2230a_100000210953_100000211751 [0,0,0,0,0,2|1,0,1]=4 6853 B10R0.97 CC(C)CNCCOC(C)C 2230a_100000701111_100000210760 [0,0,0,0,0,2|1,0,1]=4 6854 B10R0.97 CC(C)CNCCOC(C)C 270004a_100000701111_100000210432 [0,0,0,0,0,2|1,0,1]=4 6855 B10R0.97 CC(C)CNCCOC(C)C 34a_100000210953_100000211751 [0,0,0,0,0,2|1,0,1]=4 6856 B10R0.97 CC(C)CNCCOC(C)C 34a_100000701111_100000210624 [0,0,0,0,0,2|1,0,1]=4 6857 B10R0.97 CC(C)CNCCOC(C)C 34a_100015185251_100000210206 [0,0,0,0,0,2|1,0,1]=4 6858 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [0,0,0,0,0,2|2,0,0]=4 6859 B10R0.97 CC(C)COCCNC(=O)N 34a_100000181757_100000210624 [0,0,0,0,0,2|2,0,0]=4 6860 B10R0.97 CC(C)COCCNC(C)C 34a_100000224655_100000210624 [0,0,0,0,0,2|1,0,1]=4 6861 B10R0.97 CC(C)COCCOC(=O)N 34a_100000210257_200011214921 [0,0,0,0,0,2|1,0,0]=3 6862 B10R0.97 CC(C)COCCOC(=O)N 7a_100000766696_100000210760 [0,0,0,0,0,2|1,0,0]=3 6863 B10R0.97 CC(C)COCCOC(C)C 34a_100000210257_100000211751 [0,0,0,0,0,2|1,0,1]=4 6864 B10R0.97 CC(C)COCCOC(C)C 34a_100000211219_100000210624 [0,0,0,0,0,2|1,0,1]=4 6865 B10R0.97 CC(C)COCCOC(C)C 34a_100000703358_100000210206 [0,0,0,0,0,2|1,0,1]=4 6866 B10R0.97 CC(C)COCCOC(C)C 7a_100000211219_100000210760 [0,0,0,0,0,2|1,0,1]=4 6867 B10R0.97 CC(C)COCCOC(C)C 7a_100000703358_100000210206 [0,0,0,0,0,2|1,0,1]=4 6868 B10R0.97 CC(C)COCCSC(C)C 34a_100000210257_100000730970 [0,0,0,0,0,2|1,0,1]=4 6869 B10R0.97 CC(C)COCCSC(C)C 34a_200011212901_100000210624 [0,0,0,0,0,2|1,0,1]=4 6870 B10R0.97 CC(C)COCCSC(C)C 7a_200011212901_100000210760 [0,0,0,0,0,2|1,0,1]=4 6871 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [0,0,0,0,0,2|2,0,0]=4 6872 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [0,0,0,0,0,2|2,0,0]=4 6873 B10R0.97 CC(C)CSCCNC(=O)N 62a_100000210624_200000034859 [0,0,0,0,0,2|2,0,0]=4 6874 B10R0.97 CC(C)CSCCNC(=O)N 62a_200000034859_100000210760 [0,0,0,0,0,2|2,0,0]=4 6875 B10R0.97 CC(C)CSCCOC(=O)N 62a_100000210624_200011214921 [0,0,0,0,0,2|1,0,0]=3 6876 B10R0.97 CC(C)CSCCOC(=O)N 62a_200011214921_100000210760 [0,0,0,0,0,2|1,0,0]=3 6877 B10R0.97 CC(C)CSCCOC(C)C 34a_200000230437_100000210206 [0,0,0,0,0,2|1,0,1]=4 6878 B10R0.97 CC(C)CSCCOC(C)C 62a_100000210624_100000211751 [0,0,0,0,0,2|1,0,1]=4 6879 B10R0.97 CC(C)CSCCOC(C)C 62a_100000211751_100000210760 [0,0,0,0,0,2|1,0,1]=4 6880 B10R0.97 CC(C)CSCCOC(C)C 7a_200000230437_100000210206 [0,0,0,0,0,2|1,0,1]=4 6881 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [0,0,0,0,0,2|2,0,0]=4 6882 B10R0.97 CC(C)NCCCOC(C)C 2230a_100000737246_100000210206 [0,0,0,0,0,2|1,0,1]=4 6883 B10R0.97 CC(C)NCCCOC(C)C 34a_100000182298_100000210206 [0,0,0,0,0,2|1,0,1]=4 6884 B10R0.97 CC(C)NCCCOC(C)C 34a_100000737246_100000210206 [0,0,0,0,0,2|1,0,1]=4 6885 B10R0.97 CC(C)NCCOCC(=O)N 2230a_100138425928_100000076697 [0,0,0,0,0,2|1,0,0]=3 6886 B10R0.97 CC(C)NCCOCC(=O)N 34a_100000224655_100000187820 [0,0,0,0,0,2|1,0,0]=3 6887 B10R0.97 CC(C)NCCOCC(=O)N 34a_100138425928_100000076697 [0,0,0,0,0,2|1,0,0]=3 6888 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [0,0,0,0,0,2|1,0,0]=3 6889 B10R0.97 CC(C)NCCOCC(=O)[O-] 34a_100000224655_100020667443 [0,0,0,0,0,2|1,0,0]=3 6890 B10R0.97 CC(C)NCCOC[C@@H](C)O 34a_100000224655_100009817552 [0,0,0,0,0,2|0,0,2]=4 6891 B10R0.97 CC(C)NCCOC[N+](=O)[O-] 34a_100000224655_100000761209 [0,0,0,0,0,2|2,0,0]=4 6892 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [0,0,0,0,0,2|2,0,0]=4 6893 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [0,0,0,0,0,2|2,0,0]=4 6894 B10R0.97 CC(C)OCCNCC(=O)N 2230a_100000701111_100000747473 [0,0,0,0,0,2|2,0,0]=4 6895 B10R0.97 CC(C)OCCNCC(=O)N 2230a_100000711301_100000211751 [0,0,0,0,0,2|2,0,0]=4 6896 B10R0.97 CC(C)OCCNCC(=O)N 34a_100000701111_100000187820 [0,0,0,0,0,2|2,0,0]=4 6897 B10R0.97 CC(C)OCCNCC(=O)O 269956a_100016091260_100000211751 [0,0,0,0,0,2|2,0,0]=4 6898 B10R0.97 CC(C)OCCNCC(=O)[O-] 34a_100000701111_100020667443 [0,0,0,0,0,2|2,0,0]=4 6899 B10R0.97 CC(C)OCCOCC(=O)N 34a_100000211219_100000187820 [0,0,0,0,0,2|1,0,0]=3 6900 B10R0.97 CC(C)OCCOCC(=O)N 34a_100000212225_100000076697 [0,0,0,0,0,2|1,0,0]=3 6901 B10R0.97 CC(C)OCCOCC(=O)N 7a_100000211219_100000187820 [0,0,0,0,0,2|1,0,0]=3 6902 B10R0.97 CC(C)OCCOCC(=O)[O-] 34a_100000211219_100020667443 [0,0,0,0,0,2|1,0,0]=3 6903 B10R0.97 CC(C)OCCOC[C@@H](C)Cl 34a_100016084084_100000211751 [0,0,0,0,0,2|1,0,1]=4 6904 B10R0.97 CC(C)OCCOC[C@@H](C)N 34a_100000737577_100000211751 [0,0,0,0,0,2|1,0,1]=4 6905 B10R0.97 CC(C)OCCOC[C@@H](C)O 34a_100000211219_100009817552 [0,0,0,0,0,2|0,0,2]=4 6906 B10R0.97 CC(C)OCCOC[C@@H](C)O 7a_100000211219_100009817552 [0,0,0,0,0,2|0,0,2]=4 6907 B10R0.97 CC(C)OCCOC[N+](=O)[O-] 34a_100000211219_100000761209 [0,0,0,0,0,2|2,0,0]=4 6908 B10R0.97 CC(C)OCCSCC(=O)N 62a_100000211751_100000747473 [0,0,0,0,0,2|1,1,0]=4 6909 B10R0.97 CC(C)OCCSCC(=O)N 62a_100000747473_100000211751 [0,0,0,0,0,2|1,1,0]=4 6910 B10R0.97 CC(C)OCCSCC(=O)[O-] 62a_100000211751_100020667443 [0,0,0,0,0,2|1,1,0]=4 6911 B10R0.97 CC(C)OCCSCC(=O)[O-] 62a_100020667443_100000211751 [0,0,0,0,0,2|1,1,0]=4 6912 B10R0.97 CC(C)OCNOCC(=O)O 269956a_100000106656_100000709892 [0,0,0,0,0,2|2,0,0]=4 6913 B10R0.97 CC(C)OCOCCC(=O)N 34a_100000757172_100000709892 [0,0,0,0,0,2|2,0,0]=4 6914 B10R0.97 CC(C)OCSCCC(=O)N 62a_100000709892_100000744528 [0,0,0,0,0,2|2,0,0]=4 6915 B10R0.97 CC(C)OCSCCC(=O)N 62a_100000744528_100000709892 [0,0,0,0,0,2|2,0,0]=4 6916 B10R0.97 CC(C)OCSCOC(C)C 62a_100000709892_100000709892 [0,0,0,0,0,2|1,0,1]=4 6917 B10R0.97 CC(C)SCCNCC(=O)N 2230a_100000711301_100000730970 [0,0,0,0,0,2|2,0,0]=4 6918 B10R0.97 CC(C)SCCNCC(=O)N 2230a_100000731138_100000747473 [0,0,0,0,0,2|2,0,0]=4 6919 B10R0.97 CC(C)SCCNCC(=O)N 34a_100000731138_100000187820 [0,0,0,0,0,2|2,0,0]=4 6920 B10R0.97 CC(C)SCCNCC(=O)O 269956a_100016091260_100000730970 [0,0,0,0,0,2|2,0,0]=4 6921 B10R0.97 CC(C)SCCNCC(=O)[O-] 34a_100000731138_100020667443 [0,0,0,0,0,2|2,0,0]=4 6922 B10R0.97 CC(C)SCCOCC(=O)N 34a_200011212901_100000187820 [0,0,0,0,0,2|1,0,0]=3 6923 B10R0.97 CC(C)SCCOCC(=O)N 62a_100000076697_100000210206 [0,0,0,0,0,2|1,0,0]=3 6924 B10R0.97 CC(C)SCCOCC(=O)N 62a_100000210206_100000076697 [0,0,0,0,0,2|1,0,0]=3 6925 B10R0.97 CC(C)SCCOCC(=O)N 7a_200011212901_100000187820 [0,0,0,0,0,2|1,0,0]=3 6926 B10R0.97 CC(C)SCCOCC(=O)[O-] 34a_200011212901_100020667443 [0,0,0,0,0,2|1,0,0]=3 6927 B10R0.97 CC(C)SCCOC[C@@H](C)Cl 34a_100016084084_100000730970 [0,0,0,0,0,2|1,0,1]=4 6928 B10R0.97 CC(C)SCCOC[C@@H](C)N 34a_100000737577_100000730970 [0,0,0,0,0,2|1,0,1]=4 6929 B10R0.97 CC(C)SCCOC[C@@H](C)O 34a_200011212901_100009817552 [0,0,0,0,0,2|0,0,2]=4 6930 B10R0.97 CC(C)SCCOC[C@@H](C)O 7a_200011212901_100009817552 [0,0,0,0,0,2|0,0,2]=4 6931 B10R0.97 CC(C)SCCOC[N+](=O)[O-] 34a_200011212901_100000761209 [0,0,0,0,0,2|2,0,0]=4 6932 B10R0.97 CC(C)SCCSCC(=O)N 62a_100000730970_100000747473 [0,0,0,0,0,2|1,1,0]=4 6933 B10R0.97 CC(C)SCCSCC(=O)N 62a_100000747473_100000730970 [0,0,0,0,0,2|1,1,0]=4 6934 B10R0.97 CC(C)SCCSCC(=O)[O-] 62a_100000730970_100020667443 [0,0,0,0,0,2|1,1,0]=4 6935 B10R0.97 CC(C)SCCSCC(=O)[O-] 62a_100020667443_100000730970 [0,0,0,0,0,2|1,1,0]=4 6936 B10R0.97 CC(F)COCCOC(=O)N 34a_100015925927_200011214921 [0,0,0,0,0,2|2,0,0]=4 6937 B10R0.97 CC(F)COCCOC(C)C 34a_100015925927_100000211751 [0,0,0,0,0,2|1,0,1]=4 6938 B10R0.97 CC(F)COCCSC(C)C 34a_100015925927_100000730970 [0,0,0,0,0,2|1,0,1]=4 6939 B10R0.97 CC(O)CCNOCC(=O)O 269956a_100000106656_100012276601 [0,0,0,0,0,2|2,0,0]=4 6940 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [0,0,0,0,0,2|2,0,0]=4 6941 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [0,0,0,0,0,2|2,0,0]=4 6942 B10R0.97 CC(O)CNCCOC(=O)N 34a_100000210904_200011214921 [0,0,0,0,0,2|2,0,0]=4 6943 B10R0.97 CC(O)COCCNC(C)C 34a_100000224655_100011218427 [0,0,0,0,0,2|0,0,2]=4 6944 B10R0.97 CC(O)COCCOC(=O)N 7a_100000766696_100011218427 [0,0,0,0,0,2|2,0,0]=4 6945 B10R0.97 CC(O)COCCOC(C)C 34a_100000211219_100011218427 [0,0,0,0,0,2|0,0,2]=4 6946 B10R0.97 CC(O)COCCOC(C)C 7a_100000211219_100011218427 [0,0,0,0,0,2|0,0,2]=4 6947 B10R0.97 CC(O)COCCSC(C)C 34a_200011212901_100011218427 [0,0,0,0,0,2|0,0,2]=4 6948 B10R0.97 CC(O)COCCSC(C)C 7a_200011212901_100011218427 [0,0,0,0,0,2|0,0,2]=4 6949 B10R0.97 CC(O)CSCCOC(=O)N 62a_100011218427_200011214921 [0,0,0,0,0,2|2,0,0]=4 6950 B10R0.97 CC(O)CSCCOC(=O)N 62a_200011214921_100011218427 [0,0,0,0,0,2|2,0,0]=4 6951 B10R0.97 CN(C)CCNOCC(=O)O 269956a_100000106656_100000755713 [0,0,0,0,0,2|2,0,0]=4 6952 B10R0.97 CN(C)CCOCCC(=O)N 7a_100000757172_100000755713 [0,0,0,0,0,2|2,0,0]=4 6953 B10R0.97 C[C@@H](Cl)COCCOC(=O)N 34a_100016084084_200011214921 [0,0,0,0,0,2|2,0,0]=4 6954 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [0,0,0,0,0,2|2,0,0]=4 6955 B10R0.97 C[C@@H](N)COCCOC(=O)N 34a_100000737577_200011214921 [0,0,0,0,0,2|2,0,0]=4 6956 B10R0.97 C[C@@H](O)COCCOC(=O)N 7a_100000766696_100009817552 [0,0,0,0,0,2|2,0,0]=4 6957 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_100009817552_200011214921 [0,0,0,0,0,2|2,0,0]=4 6958 B10R0.97 C[C@@H](O)CSCCOC(=O)N 62a_200011214921_100009817552 [0,0,0,0,0,2|2,0,0]=4