0 B8R0.28 C=C(C)C=NNC(C)C 4a_100000741168_100000210575 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.28 C=C(C)CNCC(C)C 2230a_100000210953_100000748629 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.28 C=C(C)CNCC(C)C 34a_100000210953_100000748629 [0,0,0,0,0,0|2,0,2]=4 9 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.28 C=C(C)COCC(C)Br 34a_100012180447_100000748629 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.28 C=C(C)COCC(C)C 34a_100000210245_100000210624 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.28 C=C(C)COCC(C)C 34a_100000210257_100000748629 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.28 C=C(C)COCC(C)F 34a_100015925927_100000748629 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [0,0,0,0,0,0|1,0,2]=3 16 B8R0.28 C=C(C)COC[C@@H](C)Cl 34a_100016084084_100000748629 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.28 C=C(C)CSCC(C)C 62a_100000210624_100000211660 [0,0,0,0,0,0|2,0,2]=4 20 B8R0.28 C=C(C)CSCC(C)C 62a_100000748629_100000210760 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [0,0,0,0,0,0|1,0,2]=3 22 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [0,0,0,0,0,0|1,0,2]=3 23 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [0,0,0,0,0,0|1,0,2]=3 24 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [0,0,0,0,0,0|1,0,2]=3 25 B8R0.28 C=C(F)CNCC(C)O 2230a_100000210904_100009893438 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.28 C=C(F)CNCC(C)O 34a_100000210904_100009893438 [0,0,0,0,0,0|2,0,2]=4 27 B8R0.28 C=C(F)COCC(C)O 34a_200010262243_100011218427 [0,0,0,0,0,0|2,0,2]=4 28 B8R0.28 C=C(F)COC[C@@H](C)O 34a_200010262243_100009817552 [0,0,0,0,0,0|2,0,2]=4 29 B8R0.28 C=C(F)CSCC(C)O 62a_100000042424_100011218427 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.28 C=C(F)CSCC(C)O 62a_100011218427_100000042424 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.28 C=C(F)CSC[C@@H](C)O 62a_100000042424_100009817552 [0,0,0,0,0,0|2,0,2]=4 32 B8R0.28 C=C(F)CSC[C@@H](C)O 62a_100009817552_100000042424 [0,0,0,0,0,0|2,0,2]=4 33 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [0,0,0,0,0,0|2,0,0]=2 34 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [0,0,0,0,0,0|2,0,0]=2 35 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [0,0,0,0,0,0|2,0,0]=2 36 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [0,0,0,0,0,0|2,0,0]=2 37 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [0,0,0,0,0,0|2,0,0]=2 38 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [0,0,0,0,0,0|2,0,0]=2 39 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [0,0,0,0,0,0|2,0,0]=2 40 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [0,0,0,0,0,0|2,0,0]=2 41 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [0,0,0,0,0,0|2,0,0]=2 42 B8R0.28 CC(=O)C/C=C/C(C)C 1458a_100016292215_200000210301 [0,0,0,0,0,0|0,0,4]=4 43 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,0,0,0,0,0|0,0,2]=2 45 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [0,0,0,0,0,0|2,0,2]=4 46 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,0,0|1,0,3]=4 47 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,0,0,0,0,0|2,0,1]=3 48 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,0,0,0,0,0|2,0,1]=3 49 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,0,0,0,0,0|1,0,1]=2 50 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,0,0,0,0,0|1,0,3]=4 51 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,0,0,0,0,0|1,0,3]=4 52 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,0,0,0,0|2,0,2]=4 53 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,0,0,0,0|2,0,2]=4 54 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,0,0,0,0,0|2,0,2]=4 55 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,0,0,0,0,0|1,0,3]=4 56 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,0,0,0,0,0|1,0,3]=4 57 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,0,0,0,0,0|1,0,3]=4 58 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,0,0,0,0|2,0,2]=4 59 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,0,0,0,0,0|1,0,3]=4 60 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,0,0,0,0,0|1,0,3]=4 61 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,0,0,0,0,0|1,0,3]=4 62 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,0,0,0,0,0|3,0,1]=4 64 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,0,0,0,0,0|2,0,1]=3 65 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,0,0,0,0,0|2,0,1]=3 66 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,0,0,0,0,0|1,0,2]=3 67 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,0,0,0,0,0|1,0,2]=3 68 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,0,0,0,0,0|1,0,2]=3 69 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,0,0,0,0|2,0,2]=4 70 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,0,0,0,0,0|3,0,0]=3 71 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,0,0,0,0,0|3,0,0]=3 72 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,0,0,0,0,0|3,0,0]=3 73 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,0,0,0,0,0|3,0,0]=3 74 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,0,0,0,0,0|2,0,0]=2 75 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,0,0,0,0,0|2,0,0]=2 76 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,0,0,0,0,0|4,0,0]=4 77 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,0,0,0,0,0|4,0,0]=4 78 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,0,0,0,0,0|4,0,0]=4 79 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,0,0,0,0,0|4,0,0]=4 80 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,0,0,0,0,0|4,0,0]=4 81 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,0,0,0,0,0|3,0,0]=3 82 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,0,0,0,0,0|4,0,0]=4 83 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,0,0,0,0,0|4,0,0]=4 84 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,0,0,0,0,0|4,0,0]=4 85 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,0,0,0,0,0|4,0,0]=4 86 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,0,0,0,0,0|4,0,0]=4 87 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,0,0,0,0|2,0,2]=4 88 B8R0.28 CC(Br)CCOC(C)C 34a_100009893172_100000210206 [0,0,0,0,0,0|2,0,1]=3 89 B8R0.28 CC(Br)COC[C@@H](C)O 34a_100012180447_100009817552 [0,0,0,0,0,0|2,0,2]=4 90 B8R0.28 CC(C)/C=C/CC(=O)[13CH3] 1458a_100016292215_200025704644 [0,0,0,0,0,0|0,0,4]=4 91 B8R0.28 CC(C)C=NNC(C)C 4a_100000741168_100000210432 [0,0,0,0,0,0|3,0,1]=4 92 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,0,0,0,0,0|2,0,1]=3 93 B8R0.28 CC(C)CCCN(C)C 2230a_100102631434_100011214892 [0,0,0,0,0,0|2,0,1]=3 94 B8R0.28 CC(C)CCCN(C)C 269982a_100102631434_100011214892 [0,0,0,0,0,0|2,0,1]=3 95 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [0,0,0,0,0,0|2,0,1]=3 96 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [0,0,0,0,0,0|2,0,1]=3 97 B8R0.28 CC(C)CCOC(C)C 34a_100000210254_100000210206 [0,0,0,0,0,0|2,0,1]=3 98 B8R0.28 CC(C)CCOC(C)C 34a_100000212225_100000210312 [0,0,0,0,0,0|2,0,1]=3 99 B8R0.28 CC(C)CCOC(C)C 7a_100000210254_100000210206 [0,0,0,0,0,0|2,0,1]=3 100 B8R0.28 CC(C)CCSC(C)C 62a_100000210206_100000210312 [0,0,0,0,0,0|2,0,1]=3 101 B8R0.28 CC(C)CCSC(C)C 62a_100000210312_100000210206 [0,0,0,0,0,0|2,0,1]=3 102 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [0,0,0,0,0,0|2,0,2]=4 103 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [0,0,0,0,0,0|2,0,2]=4 104 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [0,0,0,0,0,0|2,0,2]=4 105 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [0,0,0,0,0,0|1,0,2]=3 106 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [0,0,0,0,0,0|1,0,2]=3 107 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [0,0,0,0,0,0|1,0,2]=3 108 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [0,0,0,0,0,0|1,0,2]=3 109 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [0,0,0,0,0,0|1,0,2]=3 110 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [0,0,0,0,0,0|1,0,2]=3 111 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [0,0,0,0,0,0|1,0,2]=3 112 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,0,0,0,0,0|3,0,1]=4 113 B8R0.28 CC(C)COCC(C)Br 34a_100012180447_100000210624 [0,0,0,0,0,0|2,0,2]=4 114 B8R0.28 CC(C)COCC(C)C 34a_100000210257_100000210624 [0,0,0,0,0,0|2,0,2]=4 115 B8R0.28 CC(C)COCC(C)F 34a_100015925927_100000210624 [0,0,0,0,0,0|2,0,2]=4 116 B8R0.28 CC(C)COCC(C)O 34a_100000210257_100011218427 [0,0,0,0,0,0|1,0,2]=3 117 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [0,0,0,0,0,0|2,0,2]=4 118 B8R0.28 CC(C)COC[C@@H](C)N 34a_100000737577_100000210624 [0,0,0,0,0,0|2,0,2]=4 119 B8R0.28 CC(C)COC[C@@H](C)O 34a_100000210257_100009817552 [0,0,0,0,0,0|1,0,2]=3 120 B8R0.28 CC(C)CSCC(C)C 62a_100000210624_100000210760 [0,0,0,0,0,0|2,0,2]=4 121 B8R0.28 CC(C)CSCC(C)O 62a_100000210624_100011218427 [0,0,0,0,0,0|1,0,2]=3 122 B8R0.28 CC(C)CSCC(C)O 62a_100011218427_100000210760 [0,0,0,0,0,0|1,0,2]=3 123 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100000210624_100009817552 [0,0,0,0,0,0|1,0,2]=3 124 B8R0.28 CC(C)CSC[C@@H](C)O 62a_100009817552_100000210760 [0,0,0,0,0,0|1,0,2]=3 125 B8R0.28 CC(C)NCOC(C)C 2230a_100138425928_100000709892 [0,0,0,0,0,0|3,0,1]=4 126 B8R0.28 CC(C)NCOC(C)C 34a_100138425928_100000709892 [0,0,0,0,0,0|3,0,1]=4 127 B8R0.28 CC(C)OCCC(F)F 34a_100103093639_100000210206 [0,0,0,0,0,0|3,0,1]=4 128 B8R0.28 CC(C)OCCN(C)C 2230a_100102631434_100000211751 [0,0,0,0,0,0|3,0,1]=4 129 B8R0.28 CC(C)OCCN(C)C 269982a_100102631434_100000211751 [0,0,0,0,0,0|3,0,1]=4 130 B8R0.28 CC(C)OCC[C@@H](C)N 34a_100000706166_100000210206 [0,0,0,0,0,0|2,0,1]=3 131 B8R0.28 CC(C)OCOC(C)C 34a_100000212225_100000709892 [0,0,0,0,0,0|3,0,1]=4 132 B8R0.28 CC(C)OCSC(C)C 62a_100000210206_100000709892 [0,0,0,0,0,0|3,0,1]=4 133 B8R0.28 CC(C)OCSC(C)C 62a_100000709892_100000210206 [0,0,0,0,0,0|3,0,1]=4 134 B8R0.28 CC(C)SCCN(C)C 2230a_100102631434_100000730970 [0,0,0,0,0,0|3,0,1]=4 135 B8R0.28 CC(C)SCCN(C)C 269982a_100102631434_100000730970 [0,0,0,0,0,0|3,0,1]=4 136 B8R0.28 CC(C)SCCN(C)C 62a_100000210206_100000755713 [0,0,0,0,0,0|3,0,1]=4 137 B8R0.28 CC(F)COC[C@@H](C)O 34a_100015925927_100009817552 [0,0,0,0,0,0|2,0,2]=4 138 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [0,0,0,0,0,0|1,0,1]=2 139 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [0,0,0,0,0,0|1,0,1]=2 140 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [0,0,0,0,0,0|1,0,1]=2 141 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [0,0,0,0,0,0|1,0,1]=2 142 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [0,0,0,0,0,0|1,0,1]=2 143 B8R0.28 CC(O)CCOC(C)C 34a_100000212225_100012276601 [0,0,0,0,0,0|1,0,1]=2 144 B8R0.28 CC(O)CCSC(C)C 62a_100000210206_100012276601 [0,0,0,0,0,0|1,0,1]=2 145 B8R0.28 CC(O)CCSC(C)C 62a_100012276601_100000210206 [0,0,0,0,0,0|1,0,1]=2 146 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,0,0,0,0,0|3,0,1]=4 147 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,0,0,0,0,0|3,0,1]=4 148 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,0,0,0,0,0|3,0,1]=4 149 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,0,0,0,0,0|3,0,1]=4 150 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,0,0,0,0,0|3,0,1]=4 151 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [0,0,0,0,0,0|2,0,2]=4 152 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [0,0,0,0,0,0|2,0,2]=4 153 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [0,0,0,0,0,0|2,0,2]=4 154 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [0,0,0,0,0,0|2,0,2]=4 155 B8R0.28 CC(O)COCC(C)Br 34a_100012180447_100011218427 [0,0,0,0,0,0|2,0,2]=4 156 B8R0.28 CC(O)COCC(C)F 34a_100015925927_100011218427 [0,0,0,0,0,0|2,0,2]=4 157 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [0,0,0,0,0,0|2,0,2]=4 158 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [0,0,0,0,0,0|2,0,2]=4 159 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,0,0,0,0,0|3,0,1]=4 160 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,0,0,0,0,0|3,0,1]=4 161 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,0,0,0,0,0|3,0,1]=4 162 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,0,0,0,0,0|3,0,1]=4 163 B8R0.28 CC(O)CSCC(C)O 62a_100011218427_100011218427 [0,0,0,0,0,0|2,0,2]=4 164 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100009817552_100011218427 [0,0,0,0,0,0|2,0,2]=4 165 B8R0.28 CC(O)CSC[C@@H](C)O 62a_100011218427_100009817552 [0,0,0,0,0,0|2,0,2]=4 166 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [0,0,0,0,0,0|3,0,1]=4 167 B8R0.28 CN(C)CCC=C(F)F 2230a_100102631434_200009816681 [0,0,0,0,0,0|4,0,0]=4 168 B8R0.28 CN(C)CCC=C(F)F 269982a_100102631434_200009816681 [0,0,0,0,0,0|4,0,0]=4 169 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,0,0,0,0,0|2,0,2]=4 170 B8R0.28 CN(C)CCCN(C)C 269982a_100000225831_200000210301 [0,0,0,0,0,0|3,0,1]=4 171 B8R0.28 CN(C)CCCN(C)C 269982a_100102631434_100000757444 [0,0,0,0,0,0|3,0,1]=4 172 B8R0.28 CN(C)CCCN(C)[13CH3] 269982a_100000225831_200025704644 [0,0,0,0,0,0|3,0,1]=4 173 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,0,0,0,0,0|2,0,2]=4 174 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [0,0,0,0,0,0|2,0,2]=4 175 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,0,0,0,0,0|3,0,1]=4 176 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,0,0,0,0,0|3,0,1]=4 177 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [0,0,0,0,0,0|2,0,2]=4 178 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,0,0,0,0,0|3,0,1]=4 179 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,0,0,0,0,0|3,0,1]=4 180 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,0,0,0,0,0|3,0,1]=4 181 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,0,0,0,0,0|3,0,1]=4 182 B8R0.28 C[C@@H](O)CSC[C@@H](C)O 62a_100009817552_100009817552 [0,0,0,0,0,0|2,0,2]=4 183 B7R0.4 C/C=C/CNC(C)C 34a_100138425928_100102629194 [1,0,0,0,0,0|2,0,0]=3 184 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [1,0,0,0,0,0|2,0,0]=3 185 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [1,0,0,0,0,0|2,0,0]=3 186 B7R0.4 C/C=C/CSC(C)C 62a_100000210206_100102629194 [1,0,0,0,0,0|2,0,0]=3 187 B7R0.4 C/C=C/CSC(C)C 62a_100102629194_100000210206 [1,0,0,0,0,0|2,0,0]=3 188 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [1,0,0,0,0,0|2,0,1]=4 189 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|1,0,2]=4 190 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|1,0,2]=4 191 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|1,0,2]=4 192 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|1,0,2]=4 193 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|1,0,2]=4 194 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [1,0,0,0,0,0|1,0,2]=4 195 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [1,0,0,0,0,0|1,0,2]=4 196 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|1,0,2]=4 197 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|1,0,2]=4 198 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [1,0,0,0,0,0|1,0,2]=4 199 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|1,0,2]=4 200 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|1,0,2]=4 201 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,0,0,0,0,0|1,0,2]=4 202 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,0,0,0,0,0|1,0,2]=4 203 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [1,0,0,0,0,0|1,0,2]=4 204 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [1,0,0,0,0,0|1,0,2]=4 205 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [1,0,0,0,0,0|1,0,2]=4 206 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [1,0,0,0,0,0|1,0,2]=4 207 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [1,0,0,0,0,0|1,0,2]=4 208 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [1,0,0,0,0,0|1,0,2]=4 209 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [1,0,0,0,0,0|1,0,2]=4 210 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [1,0,0,0,0,0|1,0,2]=4 211 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [1,0,0,0,0,0|1,0,2]=4 212 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [1,0,0,0,0,0|1,0,2]=4 213 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,0,0,0,0,0|1,0,0]=2 214 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,0,0,0,0,0|1,0,0]=2 215 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [1,0,0,0,0,0|2,0,0]=3 216 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [1,0,0,0,0,0|2,0,0]=3 217 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [1,0,0,0,0,0|2,0,0]=3 218 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [1,0,0,0,0,0|2,0,0]=3 219 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|2,0,1]=4 220 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|1,0,1]=3 221 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|1,0,1]=3 222 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|2,0,1]=4 223 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|2,0,1]=4 224 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|2,0,1]=4 225 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|2,0,1]=4 226 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|2,0,1]=4 227 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|2,0,1]=4 228 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 229 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 230 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 231 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|3,0,0]=4 232 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|2,0,0]=3 233 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|2,0,0]=3 234 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|3,0,0]=4 235 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|3,0,0]=4 236 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|3,0,0]=4 237 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|3,0,0]=4 238 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,0,0,0,0,0|3,0,0]=4 239 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|3,0,0]=4 240 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|3,0,0]=4 241 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [1,0,0,0,0,0|1,0,2]=4 242 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [1,0,0,0,0,0|1,0,2]=4 243 B7R0.4 CC(C)CCCO[13CH3] 34a_100000210774_200025704644 [1,0,0,0,0,0|1,0,2]=4 244 B7R0.4 CC(C)CCCO[13CH3] 7a_100000210774_200025704644 [1,0,0,0,0,0|1,0,2]=4 245 B7R0.4 CC(C)CCCS[13CH3] 62a_100011214892_200025704644 [1,0,0,0,0,0|1,0,2]=4 246 B7R0.4 CC(C)CCCS[13CH3] 62a_200025704644_100011214892 [1,0,0,0,0,0|1,0,2]=4 247 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [1,0,0,0,0,0|1,0,2]=4 248 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [1,0,0,0,0,0|1,0,2]=4 249 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [1,0,0,0,0,0|1,0,2]=4 250 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [1,0,0,0,0,0|1,0,2]=4 251 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [1,0,0,0,0,0|1,0,2]=4 252 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [1,0,0,0,0,0|1,0,2]=4 253 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [1,0,0,0,0,0|1,0,2]=4 254 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [1,0,0,0,0,0|1,0,2]=4 255 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [1,0,0,0,0,0|2,0,1]=4 256 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [1,0,0,0,0,0|2,0,1]=4 257 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [1,0,0,0,0,0|2,0,1]=4 258 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [1,0,0,0,0,0|2,0,1]=4 259 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [1,0,0,0,0,0|1,0,1]=3 260 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [1,0,0,0,0,0|1,0,1]=3 261 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [1,0,0,0,0,0|2,0,1]=4 262 B7R0.4 CC(C)OCCCBr 34a_100011217188_100000210206 [1,0,0,0,0,0|2,0,1]=4 263 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [1,0,0,0,0,0|2,0,1]=4 264 B7R0.4 CC(C)OCCCF 34a_100000212225_100011934791 [1,0,0,0,0,0|2,0,1]=4 265 B7R0.4 CC(C)OCCCF 34a_100000759539_100000210206 [1,0,0,0,0,0|2,0,1]=4 266 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [1,0,0,0,0,0|2,0,1]=4 267 B7R0.4 CC(C)OCCCO 34a_100000212225_100000230001 [1,0,0,0,0,0|1,0,1]=3 268 B7R0.4 CC(C)OCCN[13CH3] 2230a_100000701111_200025704644 [1,0,0,0,0,0|2,0,1]=4 269 B7R0.4 CC(C)OCCN[13CH3] 34a_100000701111_200025704644 [1,0,0,0,0,0|2,0,1]=4 270 B7R0.4 CC(C)OCCO[13CH3] 34a_100000211219_200025704644 [1,0,0,0,0,0|2,0,1]=4 271 B7R0.4 CC(C)OCCO[13CH3] 7a_100000211219_200025704644 [1,0,0,0,0,0|2,0,1]=4 272 B7R0.4 CC(C)OCCS[13CH3] 62a_100000211751_200025704644 [1,0,0,0,0,0|2,0,1]=4 273 B7R0.4 CC(C)OCCS[13CH3] 62a_200025704644_100000211751 [1,0,0,0,0,0|2,0,1]=4 274 B7R0.4 CC(C)SCCCF 62a_100000210206_100011934791 [1,0,0,0,0,0|2,0,1]=4 275 B7R0.4 CC(C)SCCCF 62a_100011934791_100000210206 [1,0,0,0,0,0|2,0,1]=4 276 B7R0.4 CC(C)SCCCO 62a_100000210206_100011215043 [1,0,0,0,0,0|1,0,1]=3 277 B7R0.4 CC(C)SCCCO 62a_100011215043_100000210206 [1,0,0,0,0,0|1,0,1]=3 278 B7R0.4 CC(C)SCCN[13CH3] 2230a_100000731138_200025704644 [1,0,0,0,0,0|2,0,1]=4 279 B7R0.4 CC(C)SCCN[13CH3] 34a_100000731138_200025704644 [1,0,0,0,0,0|2,0,1]=4 280 B7R0.4 CC(C)SCCO[13CH3] 34a_200011212901_200025704644 [1,0,0,0,0,0|2,0,1]=4 281 B7R0.4 CC(C)SCCO[13CH3] 7a_200011212901_200025704644 [1,0,0,0,0,0|2,0,1]=4 282 B7R0.4 CC(C)SCCS[13CH3] 62a_100000730970_200025704644 [1,0,0,0,0,0|2,0,1]=4 283 B7R0.4 CC(C)SCCS[13CH3] 62a_200025704644_100000730970 [1,0,0,0,0,0|2,0,1]=4 284 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [1,0,0,0,0,0|1,0,1]=3 285 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [1,0,0,0,0,0|1,0,1]=3 286 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [1,0,0,0,0,0|2,0,1]=4 287 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [1,0,0,0,0,0|2,0,1]=4 288 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [1,0,0,0,0,0|2,0,1]=4 289 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [1,0,0,0,0,0|2,0,1]=4 290 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [1,0,0,0,0,0|2,0,1]=4 291 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [1,0,0,0,0,0|2,0,1]=4 292 B7R0.4 CC=CCNC(C)C 2230a_100138425928_100000070051 [1,0,0,0,0,0|2,0,0]=3 293 B7R0.4 CC=CCNC(C)C 34a_100138425928_100000070051 [1,0,0,0,0,0|2,0,0]=3 294 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [1,0,0,0,0,0|2,0,0]=3 295 B7R0.4 CC=CCSC(C)C 62a_100000070051_100000210206 [1,0,0,0,0,0|2,0,0]=3 296 B7R0.4 CC=CCSC(C)C 62a_100000210206_100000070051 [1,0,0,0,0,0|2,0,0]=3 297 B7R0.4 CC=NNCC(C)O 4a_200000730056_200000210099 [1,0,0,0,0,0|2,0,0]=3 298 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|1,0,2]=4 299 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|1,0,2]=4 300 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|1,0,1]=3 301 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|1,0,1]=3 302 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|1,0,1]=3 303 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|1,0,1]=3 304 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|1,0,1]=3 305 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|1,0,1]=3 306 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|1,0,1]=3 307 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|1,0,1]=3 308 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|1,0,1]=3 309 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|1,0,1]=3 310 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|1,0,1]=3 311 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 312 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 313 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|2,0,0]=3 314 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|2,0,0]=3 315 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,0,0,0,0,0|1,0,1]=3 316 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,0,0,0,0,0|1,0,1]=3 317 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,0,0,0,0,0|1,0,1]=3 318 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,0,0,0,0,0|1,0,1]=3 319 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,0,0,0,0|1,0,1]=3 320 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,0,0,0,0|1,0,1]=3 321 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,0,0,0,0|1,0,1]=3 322 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,0,0,0,0,0|1,0,1]=3 323 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,0,0,0,0,0|1,0,1]=3 324 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [1,0,0,0,0,0|1,0,2]=4 325 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [1,0,0,0,0,0|1,0,2]=4 326 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [1,0,0,0,0,0|1,0,2]=4 327 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [1,0,0,0,0,0|1,0,2]=4 328 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [1,0,0,0,0,0|1,0,2]=4 329 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|3,0,0]=4 330 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|2,0,1]=4 331 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|2,0,1]=4 332 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|2,0,1]=4 333 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [1,0,0,0,0,0|1,0,2]=4 334 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [1,0,0,0,0,0|1,0,2]=4 335 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [1,0,0,0,0,0|1,0,2]=4 336 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [1,0,0,0,0,0|1,0,2]=4 337 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|2,0,1]=4 338 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|2,0,1]=4 339 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [1,0,0,0,0,0|1,0,2]=4 340 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [1,0,0,0,0,0|1,0,2]=4 341 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [1,0,0,0,0,0|1,0,2]=4 342 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [1,0,0,0,0,0|1,0,2]=4 343 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [1,0,0,0,0,0|1,0,2]=4 344 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [1,0,0,0,0,0|1,0,2]=4 345 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,0,0,0,0,0|1,0,0]=2 346 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,0,0,0,0,0|1,0,0]=2 347 B7R0.4 CCNCCC(C)C 2230a_100015525214_100000210312 [1,0,0,0,0,0|1,0,2]=4 348 B7R0.4 CCNCCC(C)C 269862a_100015525214_100000185833 [1,0,0,0,0,0|1,0,2]=4 349 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [1,0,0,0,0,0|1,0,1]=3 350 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [1,0,0,0,0,0|1,0,1]=3 351 B7R0.4 CCNCOC(C)C 2230a_100015525214_100000709892 [1,0,0,0,0,0|2,0,1]=4 352 B7R0.4 CCNN=CC(C)C 4a_100000756455_100000210432 [1,0,0,0,0,0|2,0,1]=4 353 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,0,0,0,0|2,0,1]=4 354 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,0,0,0,0|2,0,1]=4 355 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,0,0,0,0,0|1,0,0]=2 356 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,0,0,0,0,0|1,0,0]=2 357 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|2,0,1]=4 358 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|2,0,1]=4 359 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|2,0,1]=4 360 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|2,0,1]=4 361 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|2,0,1]=4 362 B7R0.4 CCOCCC(C)Br 34a_100009893172_100000210202 [1,0,0,0,0,0|2,0,1]=4 363 B7R0.4 CCOCCC(C)C 34a_100000210254_100000210202 [1,0,0,0,0,0|1,0,2]=4 364 B7R0.4 CCOCCC(C)C 34a_100121572206_100000210312 [1,0,0,0,0,0|1,0,2]=4 365 B7R0.4 CCOCCC(C)C 7a_100000210254_100000210202 [1,0,0,0,0,0|1,0,2]=4 366 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [1,0,0,0,0,0|1,0,1]=3 367 B7R0.4 CCOCCN(C)C 2230a_100102631434_100011215890 [1,0,0,0,0,0|2,0,1]=4 368 B7R0.4 CCOCCN(C)C 269982a_100102631434_100011215890 [1,0,0,0,0,0|2,0,1]=4 369 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [1,0,0,0,0,0|2,0,1]=4 370 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|3,0,0]=4 371 B7R0.4 CCOCOC(C)C 34a_100121572206_100000709892 [1,0,0,0,0,0|2,0,1]=4 372 B7R0.4 CCOCSC(C)C 62a_100000210206_100000739092 [1,0,0,0,0,0|2,0,1]=4 373 B7R0.4 CCOCSC(C)C 62a_100000739092_100000210206 [1,0,0,0,0,0|2,0,1]=4 374 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,0,0,0,0,0|1,0,0]=2 375 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,0,0,0,0,0|1,0,0]=2 376 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|2,0,1]=4 377 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|2,0,1]=4 378 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|2,0,1]=4 379 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|2,0,1]=4 380 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|2,0,1]=4 381 B7R0.4 CCSCCC(C)C 62a_100000210202_100000210312 [1,0,0,0,0,0|1,0,2]=4 382 B7R0.4 CCSCCC(C)C 62a_100000210312_100000210202 [1,0,0,0,0,0|1,0,2]=4 383 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [1,0,0,0,0,0|1,0,1]=3 384 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [1,0,0,0,0,0|1,0,1]=3 385 B7R0.4 CCSCCN(C)C 2230a_100102631434_100000757381 [1,0,0,0,0,0|2,0,1]=4 386 B7R0.4 CCSCCN(C)C 269982a_100102631434_100000757381 [1,0,0,0,0,0|2,0,1]=4 387 B7R0.4 CCSCCN(C)C 62a_100000210202_100000755713 [1,0,0,0,0,0|2,0,1]=4 388 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|3,0,0]=4 389 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|3,0,0]=4 390 B7R0.4 CCSCOC(C)C 62a_100000210202_100000709892 [1,0,0,0,0,0|2,0,1]=4 391 B7R0.4 CCSCOC(C)C 62a_100000709892_100000210202 [1,0,0,0,0,0|2,0,1]=4 392 B7R0.4 CN(C)CCCCF 2230a_100102631434_100000729493 [1,0,0,0,0,0|2,0,1]=4 393 B7R0.4 CN(C)CCCCF 269982a_100102631434_100000729493 [1,0,0,0,0,0|2,0,1]=4 394 B7R0.4 CN(C)CCCCO 2230a_100000717598_200000210301 [1,0,0,0,0,0|1,0,1]=3 395 B7R0.4 CN(C)CCCCO 2230a_100102631434_100000210776 [1,0,0,0,0,0|1,0,1]=3 396 B7R0.4 CN(C)CCCCO 269982a_100000717598_200000210301 [1,0,0,0,0,0|1,0,1]=3 397 B7R0.4 CN(C)CCCCO 269982a_100102631434_100000210776 [1,0,0,0,0,0|1,0,1]=3 398 B7R0.4 CN(C)CCCS[13CH3] 62a_200025704644_100000757444 [1,0,0,0,0,0|2,0,1]=4 399 B7R0.4 CN([13CH3])CCCCO 2230a_100000717598_200025704644 [1,0,0,0,0,0|1,0,1]=3 400 B7R0.4 CN([13CH3])CCCCO 269982a_100000717598_200025704644 [1,0,0,0,0,0|1,0,1]=3 401 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,0,0,0,0,0|1,0,0]=2 402 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,0,0,0,0,0|1,0,0]=2 403 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,0,0,0,0,0|1,0,0]=2 404 B7R0.4 CNCCC=C(F)F 2230a_106832991635_200009816681 [1,0,0,0,0,0|3,0,0]=4 405 B7R0.4 CNCCC=C(F)F 34a_100102657272_200009816681 [1,0,0,0,0,0|3,0,0]=4 406 B7R0.4 CNCCC=C(F)F 7a_106832991635_200009816681 [1,0,0,0,0,0|3,0,0]=4 407 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|2,0,1]=4 408 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|2,0,1]=4 409 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [1,0,0,0,0,0|1,0,2]=4 410 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [1,0,0,0,0,0|1,0,2]=4 411 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [1,0,0,0,0,0|1,0,2]=4 412 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [1,0,0,0,0,0|1,0,2]=4 413 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [1,0,0,0,0,0|1,0,2]=4 414 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [1,0,0,0,0,0|1,0,1]=3 415 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [1,0,0,0,0,0|1,0,1]=3 416 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [1,0,0,0,0,0|1,0,1]=3 417 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [1,0,0,0,0,0|2,0,1]=4 418 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|3,0,0]=4 419 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|3,0,0]=4 420 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|3,0,0]=4 421 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|3,0,0]=4 422 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|3,0,0]=4 423 B7R0.4 CNCCOC(C)C 2230a_100000701111_200000210301 [1,0,0,0,0,0|2,0,1]=4 424 B7R0.4 CNCCOC(C)C 2230a_106832991635_100000211751 [1,0,0,0,0,0|2,0,1]=4 425 B7R0.4 CNCCOC(C)C 34a_100000701111_200000210301 [1,0,0,0,0,0|2,0,1]=4 426 B7R0.4 CNCCOC(C)C 34a_100102657272_100000211751 [1,0,0,0,0,0|2,0,1]=4 427 B7R0.4 CNCCOC(C)C 7a_106832991635_100000211751 [1,0,0,0,0,0|2,0,1]=4 428 B7R0.4 CNCCSC(C)C 2230a_100000731138_200000210301 [1,0,0,0,0,0|2,0,1]=4 429 B7R0.4 CNCCSC(C)C 2230a_106832991635_100000730970 [1,0,0,0,0,0|2,0,1]=4 430 B7R0.4 CNCCSC(C)C 34a_100000731138_200000210301 [1,0,0,0,0,0|2,0,1]=4 431 B7R0.4 CNCCSC(C)C 34a_100102657272_100000730970 [1,0,0,0,0,0|2,0,1]=4 432 B7R0.4 CNCCSC(C)C 7a_106832991635_100000730970 [1,0,0,0,0,0|2,0,1]=4 433 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,0,0,0,0|2,0,1]=4 434 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,0,0,0,0|2,0,1]=4 435 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,0,0,0,0,0|1,0,0]=2 436 B7R0.4 COCCC=C(F)F 34a_100138415774_200009816681 [1,0,0,0,0,0|3,0,0]=4 437 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|2,0,1]=4 438 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|2,0,1]=4 439 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|2,0,1]=4 440 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|2,0,1]=4 441 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|2,0,1]=4 442 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|2,0,1]=4 443 B7R0.4 COCCCC(C)C 34a_100000210774_200000210301 [1,0,0,0,0,0|1,0,2]=4 444 B7R0.4 COCCCC(C)C 34a_100138415774_100011214892 [1,0,0,0,0,0|1,0,2]=4 445 B7R0.4 COCCCC(C)C 7a_100000210774_200000210301 [1,0,0,0,0,0|1,0,2]=4 446 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [1,0,0,0,0,0|1,0,1]=3 447 B7R0.4 COCCCN(C)C 2230a_100000224831_200000210301 [1,0,0,0,0,0|2,0,1]=4 448 B7R0.4 COCCCN(C)C 2230a_100102631434_100000740836 [1,0,0,0,0,0|2,0,1]=4 449 B7R0.4 COCCCN(C)C 269982a_100000224831_200000210301 [1,0,0,0,0,0|2,0,1]=4 450 B7R0.4 COCCCN(C)C 269982a_100102631434_100000740836 [1,0,0,0,0,0|2,0,1]=4 451 B7R0.4 COCCCN(C)[13CH3] 2230a_100000224831_200025704644 [1,0,0,0,0,0|2,0,1]=4 452 B7R0.4 COCCCN(C)[13CH3] 269982a_100000224831_200025704644 [1,0,0,0,0,0|2,0,1]=4 453 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|3,0,0]=4 454 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|3,0,0]=4 455 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|3,0,0]=4 456 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|3,0,0]=4 457 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [1,0,0,0,0,0|2,0,1]=4 458 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [1,0,0,0,0,0|2,0,1]=4 459 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [1,0,0,0,0,0|2,0,1]=4 460 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [1,0,0,0,0,0|2,0,1]=4 461 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|3,0,0]=4 462 B7R0.4 COCCOC(C)C 34a_100000210237_100000210206 [1,0,0,0,0,0|2,0,1]=4 463 B7R0.4 COCCOC(C)C 34a_100000211219_200000210301 [1,0,0,0,0,0|2,0,1]=4 464 B7R0.4 COCCOC(C)C 34a_100000212225_100011201679 [1,0,0,0,0,0|2,0,1]=4 465 B7R0.4 COCCOC(C)C 34a_100138415774_100000211751 [1,0,0,0,0,0|2,0,1]=4 466 B7R0.4 COCCOC(C)C 7a_100000211219_200000210301 [1,0,0,0,0,0|2,0,1]=4 467 B7R0.4 COCCSC(C)C 34a_100138415774_100000730970 [1,0,0,0,0,0|2,0,1]=4 468 B7R0.4 COCCSC(C)C 34a_200011212901_200000210301 [1,0,0,0,0,0|2,0,1]=4 469 B7R0.4 COCCSC(C)C 62a_100000210206_100000233755 [1,0,0,0,0,0|2,0,1]=4 470 B7R0.4 COCCSC(C)C 62a_100000233755_100000210206 [1,0,0,0,0,0|2,0,1]=4 471 B7R0.4 COCCSC(C)C 7a_200011212901_200000210301 [1,0,0,0,0,0|2,0,1]=4 472 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [1,0,0,0,0,0|2,0,1]=4 473 B7R0.4 COCSCC(C)O 62a_100000766300_100011218427 [1,0,0,0,0,0|2,0,1]=4 474 B7R0.4 COCSCC(C)O 62a_100011218427_100000766300 [1,0,0,0,0,0|2,0,1]=4 475 B7R0.4 COCSC[C@@H](C)O 62a_100000766300_100009817552 [1,0,0,0,0,0|2,0,1]=4 476 B7R0.4 COCSC[C@@H](C)O 62a_100009817552_100000766300 [1,0,0,0,0,0|2,0,1]=4 477 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,0,0,0,0,0|1,0,0]=2 478 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,0,0,0,0,0|1,0,0]=2 479 B7R0.4 CSCCC=C(F)F 62a_200000210301_200009816681 [1,0,0,0,0,0|3,0,0]=4 480 B7R0.4 CSCCC=C(F)F 62a_200009816681_200000210301 [1,0,0,0,0,0|3,0,0]=4 481 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|2,0,1]=4 482 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|2,0,1]=4 483 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|2,0,1]=4 484 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|2,0,1]=4 485 B7R0.4 CSCCCC(C)C 62a_100011214892_200000210301 [1,0,0,0,0,0|1,0,2]=4 486 B7R0.4 CSCCCC(C)C 62a_200000210301_100011214892 [1,0,0,0,0,0|1,0,2]=4 487 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [1,0,0,0,0,0|1,0,1]=3 488 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [1,0,0,0,0,0|1,0,1]=3 489 B7R0.4 CSCCCN(C)C 62a_200000210301_100000757444 [1,0,0,0,0,0|2,0,1]=4 490 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 491 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 492 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|3,0,0]=4 493 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|3,0,0]=4 494 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|3,0,0]=4 495 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|3,0,0]=4 496 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [1,0,0,0,0,0|2,0,1]=4 497 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [1,0,0,0,0,0|2,0,1]=4 498 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [1,0,0,0,0,0|2,0,1]=4 499 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|3,0,0]=4 500 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|3,0,0]=4 501 B7R0.4 CSCCOC(C)C 34a_100000212225_100000212216 [1,0,0,0,0,0|2,0,1]=4 502 B7R0.4 CSCCOC(C)C 34a_100000230434_100000210206 [1,0,0,0,0,0|2,0,1]=4 503 B7R0.4 CSCCOC(C)C 62a_100000211751_200000210301 [1,0,0,0,0,0|2,0,1]=4 504 B7R0.4 CSCCOC(C)C 62a_200000210301_100000211751 [1,0,0,0,0,0|2,0,1]=4 505 B7R0.4 CSCCOC(C)C 7a_100000230434_100000210206 [1,0,0,0,0,0|2,0,1]=4 506 B7R0.4 CSCCSC(C)C 62a_100000210206_100000751147 [1,0,0,0,0,0|2,0,1]=4 507 B7R0.4 CSCCSC(C)C 62a_100000212216_100000210206 [1,0,0,0,0,0|2,0,1]=4 508 B7R0.4 CSCCSC(C)C 62a_100000730970_200000210301 [1,0,0,0,0,0|2,0,1]=4 509 B7R0.4 CSCCSC(C)C 62a_200000210301_100000730970 [1,0,0,0,0,0|2,0,1]=4 510 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [1,0,0,0,0,0|2,0,1]=4 511 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [1,0,0,0,0,0|2,0,1]=4 512 B7R0.4 CSCSCC(C)O 62a_100011218213_100011218427 [1,0,0,0,0,0|2,0,1]=4 513 B7R0.4 CSCSCC(C)O 62a_100011218427_100011218213 [1,0,0,0,0,0|2,0,1]=4 514 B7R0.4 CSCSC[C@@H](C)O 62a_100009817552_100011218213 [1,0,0,0,0,0|2,0,1]=4 515 B7R0.4 CSCSC[C@@H](C)O 62a_100011218213_100009817552 [1,0,0,0,0,0|2,0,1]=4 516 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [1,0,0,0,0,0|2,0,1]=4 517 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [1,0,0,0,0,0|2,0,1]=4 518 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|1,0,1]=3 519 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|2,0,1]=4 520 B7R0.4 [13CH3]SCCC=C(F)F 62a_200009816681_200025704644 [1,0,0,0,0,0|3,0,0]=4 521 B7R0.4 [13CH3]SCCC=C(F)F 62a_200025704644_200009816681 [1,0,0,0,0,0|3,0,0]=4 522 B9R0.1 C#C/C(=C\COC(C)C)/C 34a_100016990848_100000210206 [0,1,0,0,0,0|2,0,1]=4 523 B9R0.1 C#CC(=NNCC(C)O)C 4a_200000730056_100000690481 [0,1,0,0,0,0|2,0,1]=4 524 B9R0.1 C#CC(=O)CCC=C(C)C 1458a_100000211873_100011217483 [0,1,0,0,0,0|0,0,3]=4 525 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [0,1,0,0,0,0|1,0,2]=4 526 B9R0.1 C#CC(C)NCC=C(C)C 2230a_100000707721_100000761012 [0,1,0,0,0,0|2,0,0]=3 527 B9R0.1 C#CC(C)NCC=C(C)C 34a_100000707721_100000761012 [0,1,0,0,0,0|2,0,0]=3 528 B9R0.1 C#CC(C)NCC=C(C)C 34a_100000718196_200000035995 [0,1,0,0,0,0|2,0,0]=3 529 B9R0.1 C#CC(C)NCCC(C)O 2230a_100000707721_100012276601 [0,1,0,0,0,0|1,0,2]=4 530 B9R0.1 C#CC(C)NCCC(C)O 34a_100000707721_100012276601 [0,1,0,0,0,0|1,0,2]=4 531 B9R0.1 C#CC(C)OCC=C(C)C 34a_100000753907_200000035995 [0,1,0,0,0,0|2,0,0]=3 532 B9R0.1 C#CC(C)SCC=C(C)C 62a_200000035995_100000761012 [0,1,0,0,0,0|2,0,0]=3 533 B9R0.1 C#CC(C)SCCC(C)O 62a_200000035995_100012276601 [0,1,0,0,0,0|1,0,2]=4 534 B9R0.1 C#C[C@@H](C)OCC=C(C)C 34a_100009815206_100000761012 [0,1,0,0,0,0|2,0,0]=3 535 B9R0.1 C#C[C@@H](C)OCC=C(C)C 7a_100009815206_100000761012 [0,1,0,0,0,0|2,0,0]=3 536 B9R0.1 C#C[C@@H](C)OCCC(C)O 34a_100009815206_100012276601 [0,1,0,0,0,0|1,0,2]=4 537 B9R0.1 C#C[C@@H](C)OCCC(C)O 7a_100009815206_100012276601 [0,1,0,0,0,0|1,0,2]=4 538 B9R0.1 C/C=C(\C)/C=NNC(C)C 4a_100000741168_100020587592 [0,1,0,0,0,0|3,0,0]=4 539 B9R0.1 C=C(C)CCN[C@H](C)CO 2230a_100000737577_100000730704 [0,1,0,0,0,0|1,0,2]=4 540 B9R0.1 C=C(C)CCOC(C)CO 34a_100000764851_100012180447 [0,1,0,0,0,0|1,0,2]=4 541 B9R0.1 C=C(C)CCSC(C)CO 62a_100012180447_100000730704 [0,1,0,0,0,0|1,0,2]=4 542 B9R0.1 C=C(C)CCSC(C)OC 62a_100000730704_100009879195 [0,1,0,0,0,0|1,0,2]=4 543 B9R0.1 C=C(C)CCSC(C)OC 62a_100009879195_100000730704 [0,1,0,0,0,0|1,0,2]=4 544 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100000730704_100016084084 [0,1,0,0,0,0|1,0,2]=4 545 B9R0.1 C=C(C)CCS[C@H](C)CO 62a_100016084084_100000730704 [0,1,0,0,0,0|1,0,2]=4 546 B9R0.1 C=C(C)CNCC(C)CO 34a_100000744482_100000748629 [0,1,0,0,0,0|1,0,2]=4 547 B9R0.1 C=C(C)CNCC(O)CC 2230a_100011218483_100000748629 [0,1,0,0,0,0|1,0,2]=4 548 B9R0.1 C=C(C)CNC[C@@H](C)OC 2230a_100020591295_100000748629 [0,1,0,0,0,0|1,0,2]=4 549 B9R0.1 C=C(C)CNC[C@H](O)CO 2230a_100020644852_100000748629 [0,1,0,0,0,0|1,0,2]=4 550 B9R0.1 C=C(C)COCC(C)OC 34a_100000690652_100000748629 [0,1,0,0,0,0|1,0,2]=4 551 B9R0.1 C=C(C)COCC(O)CC 34a_100000210245_100011218378 [0,1,0,0,0,0|1,0,2]=4 552 B9R0.1 C=C(C)COCC(O)CO 34a_100000210245_100011219619 [0,1,0,0,0,0|1,0,2]=4 553 B9R0.1 C=C(C)COC[C@@H](C)CO 34a_100000210245_100000059175 [0,1,0,0,0,0|1,0,2]=4 554 B9R0.1 C=C(C)COC[C@@H](O)CF 34a_100000210245_100015614560 [0,1,0,0,0,0|1,0,2]=4 555 B9R0.1 C=C(C)COC[C@@H](O)CO 34a_100000210245_100009815848 [0,1,0,0,0,0|1,0,2]=4 556 B9R0.1 C=C(C)CSCC(O)CC 62a_100000748629_100011218378 [0,1,0,0,0,0|1,0,2]=4 557 B9R0.1 C=C(C)CSCC(O)CC 62a_100011218378_100000211660 [0,1,0,0,0,0|1,0,2]=4 558 B9R0.1 C=C(C)CSCC(O)CO 62a_100000748629_100011219619 [0,1,0,0,0,0|1,0,2]=4 559 B9R0.1 C=C(C)CSCC(O)CO 62a_100011219619_100000211660 [0,1,0,0,0,0|1,0,2]=4 560 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000059175_100000211660 [0,1,0,0,0,0|1,0,2]=4 561 B9R0.1 C=C(C)CSC[C@@H](C)CO 62a_100000748629_100000059175 [0,1,0,0,0,0|1,0,2]=4 562 B9R0.1 C=C(C)CSC[C@@H](O)CF 62a_100000748629_100015614560 [0,1,0,0,0,0|1,0,2]=4 563 B9R0.1 C=C(C)CSC[C@@H](O)CF 62a_100015614560_100000211660 [0,1,0,0,0,0|1,0,2]=4 564 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100000748629_100009815848 [0,1,0,0,0,0|1,0,2]=4 565 B9R0.1 C=C(C)CSC[C@@H](O)CO 62a_100009815848_100000211660 [0,1,0,0,0,0|1,0,2]=4 566 B9R0.1 C=CC(=NNCC(C)O)C 4a_200000730056_200015361842 [0,1,0,0,0,0|2,0,1]=4 567 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [0,1,0,0,0,0|0,0,3]=4 568 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [0,1,0,0,0,0|1,0,2]=4 569 B9R0.1 C=CC(=O)NCCC(C)O 240690a_200000755665_200121576911 [0,1,0,0,0,0|2,0,1]=4 570 B9R0.1 C=CC(C)OCC=C(C)C 34a_100000695699_100000761012 [0,1,0,0,0,0|2,0,0]=3 571 B9R0.1 C=CC(C)OCCC(C)O 34a_100000695699_100012276601 [0,1,0,0,0,0|1,0,2]=4 572 B9R0.1 C=CC(C)SCC=C(C)C 62a_100011215867_100000761012 [0,1,0,0,0,0|2,0,0]=3 573 B9R0.1 C=CC(C)SCCC(C)O 62a_100011215867_100012276601 [0,1,0,0,0,0|1,0,2]=4 574 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,1,0,0,0,0|0,0,2]=3 575 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [0,1,0,0,0,0|0,0,0]=1 576 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [0,1,0,0,0,0|0,0,0]=1 577 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [0,1,0,0,0,0|1,0,2]=4 578 B9R0.1 CC(=CCNC(C)C#N)C 2230a_100000737613_100000761012 [0,1,0,0,0,0|2,0,0]=3 579 B9R0.1 CC(=CCNC(C)CO)C 34a_100000718196_100012180447 [0,1,0,0,0,0|1,0,0]=2 580 B9R0.1 CC(=CCN[C@H](C)CO)C 2230a_100000737577_100000761012 [0,1,0,0,0,0|1,0,0]=2 581 B9R0.1 CC(=CCOC(C)C#N)C 34a_100011218135_100000761012 [0,1,0,0,0,0|2,0,0]=3 582 B9R0.1 CC(=CCOC(C)CF)C 34a_100016041109_100000761012 [0,1,0,0,0,0|2,0,0]=3 583 B9R0.1 CC(=CCOC(C)CF)C 7a_100016041109_100000761012 [0,1,0,0,0,0|2,0,0]=3 584 B9R0.1 CC(=CCOC(C)CN)C 34a_100000210904_100000761012 [0,1,0,0,0,0|2,0,0]=3 585 B9R0.1 CC(=CCOC(C)CO)C 34a_100000753907_100012180447 [0,1,0,0,0,0|1,0,0]=2 586 B9R0.1 CC(=CCSC(C)C#N)C 62a_100000703298_100000761012 [0,1,0,0,0,0|2,0,0]=3 587 B9R0.1 CC(=CCSC(C)C#N)C 62a_100000761012_100000703298 [0,1,0,0,0,0|2,0,0]=3 588 B9R0.1 CC(=CCSC(C)CO)C 62a_100012180447_100000761012 [0,1,0,0,0,0|1,0,0]=2 589 B9R0.1 CC(=CCSC(F)C#N)C 62a_100000761012_200000117898 [0,1,0,0,0,0|2,0,1]=4 590 B9R0.1 CC(=CCSC(F)C#N)C 62a_200000117898_100000761012 [0,1,0,0,0,0|2,0,1]=4 591 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100000761012_100016084084 [0,1,0,0,0,0|1,0,0]=2 592 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100016084084_100000761012 [0,1,0,0,0,0|1,0,0]=2 593 B9R0.1 CC(=NNCC(C)O)CF 4a_200000730056_100000039719 [0,1,0,0,0,0|2,0,0]=3 594 B9R0.1 CC(=NNCC(C)O)CO 4a_200000730056_100000211253 [0,1,0,0,0,0|2,0,0]=3 595 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,1,0,0,0,0|2,0,1]=4 596 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,1,0,0,0,0|2,0,1]=4 597 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,1,0,0,0,0|2,0,1]=4 598 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,1,0,0,0,0|2,0,1]=4 599 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,1,0,0,0,0|2,0,1]=4 600 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,1,0,0,0,0|2,0,1]=4 601 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,1,0,0,0,0|2,0,1]=4 602 B9R0.1 CC(=O)COC[C@@H](O)CF 34a_100000211253_100015614560 [0,1,0,0,0,0|2,0,1]=4 603 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,1,0,0,0,0|2,0,1]=4 604 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,1,0,0,0,0|2,0,0]=3 605 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,1,0,0,0,0|2,0,0]=3 606 B9R0.1 CC(=O)OCSC(C)CO 62a_100012180447_100000076356 [0,1,0,0,0,0|3,0,0]=4 607 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100000076356_100016084084 [0,1,0,0,0,0|3,0,0]=4 608 B9R0.1 CC(=O)OCS[C@H](C)CO 62a_100016084084_100000076356 [0,1,0,0,0,0|3,0,0]=4 609 B9R0.1 CC(Br)CCOC(C)CO 34a_100009893172_100012180447 [0,1,0,0,0,0|2,0,1]=4 610 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [0,1,0,0,0,0|2,0,1]=4 611 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,0,0,0,0|2,0,1]=4 612 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [0,1,0,0,0,0|1,0,2]=4 613 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [0,1,0,0,0,0|0,0,2]=3 614 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [0,1,0,0,0,0|0,0,2]=3 615 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,1,0,0,0,0|3,0,0]=4 616 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,1,0,0,0,0|3,0,0]=4 617 B9R0.1 CC(C)CCN[C@H](C)CF 269862a_100102880703_100000185833 [0,1,0,0,0,0|2,0,1]=4 618 B9R0.1 CC(C)CCN[C@H](C)CO 2230a_100000737577_100000210312 [0,1,0,0,0,0|1,0,2]=4 619 B9R0.1 CC(C)CCN[C@H](C)CO 269862a_100000737577_100000185833 [0,1,0,0,0,0|1,0,2]=4 620 B9R0.1 CC(C)CCOC(C)CF 34a_100016041109_100000210312 [0,1,0,0,0,0|2,0,1]=4 621 B9R0.1 CC(C)CCOC(C)CF 7a_100016041109_100000210626 [0,1,0,0,0,0|2,0,1]=4 622 B9R0.1 CC(C)CCOC(C)CN 34a_100000210904_100000210312 [0,1,0,0,0,0|2,0,1]=4 623 B9R0.1 CC(C)CCOC(C)CO 34a_100000210254_100012180447 [0,1,0,0,0,0|1,0,2]=4 624 B9R0.1 CC(C)CCOC(C)CO 7a_100000210254_100012180447 [0,1,0,0,0,0|1,0,2]=4 625 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [0,1,0,0,0,0|1,0,2]=4 626 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [0,1,0,0,0,0|1,0,2]=4 627 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [0,1,0,0,0,0|1,0,2]=4 628 B9R0.1 CC(C)CNCC(C)CO 34a_100000744482_100000210624 [0,1,0,0,0,0|1,0,2]=4 629 B9R0.1 CC(C)CNCC(O)CO 2230a_100000210953_100011219619 [0,1,0,0,0,0|1,0,2]=4 630 B9R0.1 CC(C)CNCC(O)CO 34a_100000210953_100011219619 [0,1,0,0,0,0|1,0,2]=4 631 B9R0.1 CC(C)CNC[C@@H](C)CO 2230a_100000210953_100000059175 [0,1,0,0,0,0|1,0,2]=4 632 B9R0.1 CC(C)CNC[C@@H](C)CO 34a_100000210953_100000059175 [0,1,0,0,0,0|1,0,2]=4 633 B9R0.1 CC(C)CNC[C@@H](O)CF 2230a_100000210953_100015614560 [0,1,0,0,0,0|1,0,2]=4 634 B9R0.1 CC(C)CNC[C@@H](O)CF 34a_100000210953_100015614560 [0,1,0,0,0,0|1,0,2]=4 635 B9R0.1 CC(C)CNC[C@@H](O)CO 2230a_100000210953_100009815848 [0,1,0,0,0,0|1,0,2]=4 636 B9R0.1 CC(C)CNC[C@@H](O)CO 34a_100000210953_100009815848 [0,1,0,0,0,0|1,0,2]=4 637 B9R0.1 CC(C)CNC[C@H](O)CO 2230a_100020644852_100000210760 [0,1,0,0,0,0|1,0,2]=4 638 B9R0.1 CC(C)COCC(O)CO 34a_100000210257_100011219619 [0,1,0,0,0,0|1,0,2]=4 639 B9R0.1 CC(C)COC[C@@H](C)CO 34a_100000210257_100000059175 [0,1,0,0,0,0|1,0,2]=4 640 B9R0.1 CC(C)COC[C@@H](O)CF 34a_100000210257_100015614560 [0,1,0,0,0,0|1,0,2]=4 641 B9R0.1 CC(C)COC[C@@H](O)CO 34a_100000210257_100009815848 [0,1,0,0,0,0|1,0,2]=4 642 B9R0.1 CC(C)CSCC(O)CO 62a_100000210624_100011219619 [0,1,0,0,0,0|1,0,2]=4 643 B9R0.1 CC(C)CSCC(O)CO 62a_100011219619_100000210760 [0,1,0,0,0,0|1,0,2]=4 644 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000059175_100000210760 [0,1,0,0,0,0|1,0,2]=4 645 B9R0.1 CC(C)CSC[C@@H](C)CO 62a_100000210624_100000059175 [0,1,0,0,0,0|1,0,2]=4 646 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100000210624_100015614560 [0,1,0,0,0,0|1,0,2]=4 647 B9R0.1 CC(C)CSC[C@@H](O)CF 62a_100015614560_100000210760 [0,1,0,0,0,0|1,0,2]=4 648 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100000210624_100009815848 [0,1,0,0,0,0|1,0,2]=4 649 B9R0.1 CC(C)CSC[C@@H](O)CO 62a_100009815848_100000210760 [0,1,0,0,0,0|1,0,2]=4 650 B9R0.1 CC(C)OCN[C@H](C)CO 2230a_100000737577_100000709892 [0,1,0,0,0,0|2,0,1]=4 651 B9R0.1 CC(C)OCSC(C)CO 62a_100012180447_100000709892 [0,1,0,0,0,0|2,0,1]=4 652 B9R0.1 CC(C)OCS[C@H](C)CO 62a_100000709892_100016084084 [0,1,0,0,0,0|2,0,1]=4 653 B9R0.1 CC(C)OCS[C@H](C)CO 62a_100016084084_100000709892 [0,1,0,0,0,0|2,0,1]=4 654 B9R0.1 CC(CCCC(=O)[O-])O[13CH3] 7a_100000761597_200025704644 [0,1,0,0,0,0|2,0,1]=4 655 B9R0.1 CC(CN)COC[C@@H](C)O 34a_100000744482_100009817552 [0,1,0,0,0,0|1,0,2]=4 656 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [0,1,0,0,0,0|1,0,1]=3 657 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [0,1,0,0,0,0|1,0,1]=3 658 B9R0.1 CC(CO)CNC[C@@H](C)O 34a_100000744482_100009817552 [0,1,0,0,0,0|1,0,2]=4 659 B9R0.1 CC(CO)OCC[C@@H](C)N 34a_100000706166_100012180447 [0,1,0,0,0,0|2,0,1]=4 660 B9R0.1 CC(CO)SCCN(C)C 62a_100012180447_100000755713 [0,1,0,0,0,0|2,0,1]=4 661 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,1,0,0,0,0|1,0,1]=3 662 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,1,0,0,0,0|2,0,0]=3 663 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,1,0,0,0,0|2,0,0]=3 664 B9R0.1 CC(O)CCNC(C)C#N 2230a_100000737613_100012276601 [0,1,0,0,0,0|1,0,2]=4 665 B9R0.1 CC(O)CCNC(C)C#N 2230a_200000755665_100000184139 [0,1,0,0,0,0|1,0,2]=4 666 B9R0.1 CC(O)CCNC(C)CO 2230a_200000755665_100012180447 [0,1,0,0,0,0|1,0,1]=3 667 B9R0.1 CC(O)CCN[C@H](C)CO 2230a_100000737577_100012276601 [0,1,0,0,0,0|1,0,1]=3 668 B9R0.1 CC(O)CCOC(C)C#N 34a_100011218135_100012276601 [0,1,0,0,0,0|1,0,2]=4 669 B9R0.1 CC(O)CCOC(C)CF 34a_100016041109_100012276601 [0,1,0,0,0,0|1,0,1]=3 670 B9R0.1 CC(O)CCOC(C)CF 7a_100016041109_100012276601 [0,1,0,0,0,0|1,0,1]=3 671 B9R0.1 CC(O)CCOC(C)CN 34a_100000210904_100012276601 [0,1,0,0,0,0|1,0,1]=3 672 B9R0.1 CC(O)CCSC(C)C#N 62a_100000703298_100012276601 [0,1,0,0,0,0|1,0,2]=4 673 B9R0.1 CC(O)CCSC(C)C#N 62a_100012276601_100000703298 [0,1,0,0,0,0|1,0,2]=4 674 B9R0.1 CC(O)CCSC(C)CO 62a_100012180447_100012276601 [0,1,0,0,0,0|1,0,1]=3 675 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100012276601_100016084084 [0,1,0,0,0,0|1,0,1]=3 676 B9R0.1 CC(O)CCS[C@H](C)CO 62a_100016084084_100012276601 [0,1,0,0,0,0|1,0,1]=3 677 B9R0.1 CC(O)CNCC(C)CO 34a_100000744482_100011218427 [0,1,0,0,0,0|1,0,2]=4 678 B9R0.1 CC(O)CNC[C@@H](C)CO 2230a_100000210904_100000059175 [0,1,0,0,0,0|1,0,2]=4 679 B9R0.1 CC(O)CNC[C@@H](C)CO 34a_100000210904_100000059175 [0,1,0,0,0,0|1,0,2]=4 680 B9R0.1 CC(O)CNNC(=O)CO 22a_200000730056_100000210174 [0,1,0,0,0,0|3,0,0]=4 681 B9R0.1 CC(O)COCC(C)CN 34a_100000744482_100011218427 [0,1,0,0,0,0|1,0,2]=4 682 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100000059175_100011218427 [0,1,0,0,0,0|1,0,2]=4 683 B9R0.1 CC(O)CSC[C@@H](C)CO 62a_100011218427_100000059175 [0,1,0,0,0,0|1,0,2]=4 684 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,1,0,0,0,0|0,0,2]=3 685 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [0,1,0,0,0,0|2,0,1]=4 686 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [0,1,0,0,0,0|2,0,1]=4 687 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,0,0,0,0|1,0,1]=3 688 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,1,0,0,0,0|2,0,1]=4 689 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,1,0,0,0,0|2,0,1]=4 690 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,1,0,0,0,0|2,0,1]=4 691 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,1,0,0,0,0|2,0,1]=4 692 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,1,0,0,0,0|2,0,1]=4 693 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,1,0,0,0,0|2,0,1]=4 694 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [0,1,0,0,0,0|1,0,2]=4 695 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [0,1,0,0,0,0|1,0,2]=4 696 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [0,1,0,0,0,0|1,0,2]=4 697 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [0,1,0,0,0,0|3,0,0]=4 698 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [0,1,0,0,0,0|3,0,0]=4 699 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [0,1,0,0,0,0|3,0,0]=4 700 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [0,1,0,0,0,0|3,0,0]=4 701 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,1,0,0,0,0|2,0,0]=3 702 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,1,0,0,0,0|2,0,0]=3 703 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [0,1,0,0,0,0|3,0,0]=4 704 B9R0.1 CCC(C)CCNC(=O)C 11a_100020591266_100015343762 [0,1,0,0,0,0|3,0,0]=4 705 B9R0.1 CCC(C)CCNC(=O)C 1626a_100020591266_100015343762 [0,1,0,0,0,0|3,0,0]=4 706 B9R0.1 CCC(C)CCNC(=O)C 240690a_100020591266_100015343762 [0,1,0,0,0,0|3,0,0]=4 707 B9R0.1 CCC(C)CCNC(=O)C 527a_100020591266_100103153847 [0,1,0,0,0,0|3,0,0]=4 708 B9R0.1 CCC(C)CCNC(C)C 2230a_100020591266_100000210206 [0,1,0,0,0,0|2,0,1]=4 709 B9R0.1 CCC(C)CCOC(C)C 7a_100011215188_100000210206 [0,1,0,0,0,0|2,0,1]=4 710 B9R0.1 CCC(C)CNCC(C)O 2230a_100000210904_100000748023 [0,1,0,0,0,0|1,0,2]=4 711 B9R0.1 CCC(C)CNCC(C)O 2230a_100020588543_100011218427 [0,1,0,0,0,0|1,0,2]=4 712 B9R0.1 CCC(C)CNCC(C)O 270004a_100000210904_100000243153 [0,1,0,0,0,0|1,0,2]=4 713 B9R0.1 CCC(C)CNCC(C)O 34a_100000210904_100000748023 [0,1,0,0,0,0|1,0,2]=4 714 B9R0.1 CCC(C)CNC[C@@H](C)O 2230a_100020588543_100009817552 [0,1,0,0,0,0|1,0,2]=4 715 B9R0.1 CCC(C)CSCC(C)O 62a_100000748023_100011218427 [0,1,0,0,0,0|1,0,2]=4 716 B9R0.1 CCC(C)CSCC(C)O 62a_100011218427_100000748023 [0,1,0,0,0,0|1,0,2]=4 717 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100000748023_100009817552 [0,1,0,0,0,0|1,0,2]=4 718 B9R0.1 CCC(C)CSC[C@@H](C)O 62a_100009817552_100000748023 [0,1,0,0,0,0|1,0,2]=4 719 B9R0.1 CCC(C)NCC=C(C)C 2230a_100000209981_100000761012 [0,1,0,0,0,0|2,0,0]=3 720 B9R0.1 CCC(C)NCC=C(C)C 34a_100000718196_100011215416 [0,1,0,0,0,0|2,0,0]=3 721 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [0,1,0,0,0,0|2,0,1]=4 722 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [0,1,0,0,0,0|2,0,1]=4 723 B9R0.1 CCC(C)NCCC(C)O 2230a_100000209981_100012276601 [0,1,0,0,0,0|1,0,1]=3 724 B9R0.1 CCC(C)NCCC(C)O 2230a_200000755665_100000758301 [0,1,0,0,0,0|1,0,1]=3 725 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [0,1,0,0,0,0|2,0,0]=3 726 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [0,1,0,0,0,0|2,0,0]=3 727 B9R0.1 CCC(C)OCCC(C)Br 34a_100009893172_100011215416 [0,1,0,0,0,0|2,0,1]=4 728 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [0,1,0,0,0,0|2,0,1]=4 729 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [0,1,0,0,0,0|2,0,1]=4 730 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [0,1,0,0,0,0|2,0,1]=4 731 B9R0.1 CCC(C)OCCC(C)O 7a_100000210228_100012276601 [0,1,0,0,0,0|1,0,1]=3 732 B9R0.1 CCC(C)OCC[C@@H](C)N 34a_100000706166_100011215416 [0,1,0,0,0,0|2,0,1]=4 733 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [0,1,0,0,0,0|2,0,0]=3 734 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [0,1,0,0,0,0|2,0,0]=3 735 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [0,1,0,0,0,0|2,0,1]=4 736 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [0,1,0,0,0,0|2,0,1]=4 737 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [0,1,0,0,0,0|1,0,1]=3 738 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [0,1,0,0,0,0|1,0,1]=3 739 B9R0.1 CCC(O)CNCC(C)C 2230a_100000210953_100011218378 [0,1,0,0,0,0|1,0,2]=4 740 B9R0.1 CCC(O)CNCC(C)C 2230a_100011218483_100000210760 [0,1,0,0,0,0|1,0,2]=4 741 B9R0.1 CCC(O)CNCC(C)C 270004a_100011218483_100000210432 [0,1,0,0,0,0|1,0,2]=4 742 B9R0.1 CCC(O)CNCC(C)C 34a_100000210953_100011218378 [0,1,0,0,0,0|1,0,2]=4 743 B9R0.1 CCC(O)CNNC(=O)C 22a_100015206393_100000070787 [0,1,0,0,0,0|3,0,0]=4 744 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,1,0,0,0,0|2,0,1]=4 745 B9R0.1 CCC(O)COCC(C)C 34a_100000210257_100011218378 [0,1,0,0,0,0|1,0,2]=4 746 B9R0.1 CCC(O)CSCC(C)C 62a_100000210624_100011218378 [0,1,0,0,0,0|1,0,2]=4 747 B9R0.1 CCC(O)CSCC(C)C 62a_100011218378_100000210760 [0,1,0,0,0,0|1,0,2]=4 748 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [0,1,0,0,0,0|2,0,0]=3 749 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [0,1,0,0,0,0|2,0,0]=3 750 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [0,1,0,0,0,0|2,0,1]=4 751 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [0,1,0,0,0,0|2,0,1]=4 752 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [0,1,0,0,0,0|1,0,1]=3 753 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [0,1,0,0,0,0|1,0,1]=3 754 B9R0.1 CC[C@H](C)CNCC(C)O 2230a_100000210904_100009816398 [0,1,0,0,0,0|1,0,2]=4 755 B9R0.1 CC[C@H](C)CNCC(C)O 34a_100000210904_100009816398 [0,1,0,0,0,0|1,0,2]=4 756 B9R0.1 CC[C@H](C)COCC(C)O 7a_100009816381_100011218427 [0,1,0,0,0,0|1,0,2]=4 757 B9R0.1 CC[C@H](C)COC[C@@H](C)O 7a_100009816381_100009817552 [0,1,0,0,0,0|1,0,2]=4 758 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100009816398_100011218427 [0,1,0,0,0,0|1,0,2]=4 759 B9R0.1 CC[C@H](C)CSCC(C)O 62a_100011218427_100009816398 [0,1,0,0,0,0|1,0,2]=4 760 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009816398_100009817552 [0,1,0,0,0,0|1,0,2]=4 761 B9R0.1 CC[C@H](C)CSC[C@@H](C)O 62a_100009817552_100009816398 [0,1,0,0,0,0|1,0,2]=4 762 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [0,1,0,0,0,0|2,0,1]=4 763 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [0,1,0,0,0,0|2,0,1]=4 764 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [0,1,0,0,0,0|2,0,1]=4 765 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [0,1,0,0,0,0|2,0,1]=4 766 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,1,0,0,0,0|1,0,1]=3 767 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,1,0,0,0,0|1,0,1]=3 768 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,1,0,0,0,0|2,0,1]=4 769 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,1,0,0,0,0|2,0,1]=4 770 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,1,0,0,0,0|2,0,1]=4 771 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,1,0,0,0,0|2,0,1]=4 772 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,1,0,0,0,0|2,0,1]=4 773 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,1,0,0,0,0|2,0,1]=4 774 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,1,0,0,0,0|2,0,1]=4 775 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,1,0,0,0,0|2,0,1]=4 776 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,1,0,0,0,0|2,0,1]=4 777 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,1,0,0,0,0|2,0,1]=4 778 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100000718196_106832991635 [0,1,0,0,0,0|1,0,2]=4 779 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100102657272_100000718196 [0,1,0,0,0,0|1,0,2]=4 780 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100000718196_100102657272 [0,1,0,0,0,0|1,0,2]=4 781 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100102657272_100000718196 [0,1,0,0,0,0|1,0,2]=4 782 B9R0.1 CNC(=O)NCC=C(C)C 512a_100000718196_100102657272 [0,1,0,0,0,0|1,0,2]=4 783 B9R0.1 CNC(=O)NCC=C(C)C 512a_106832991638_100000718196 [0,1,0,0,0,0|1,0,2]=4 784 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [0,1,0,0,0,0|3,0,0]=4 785 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [0,1,0,0,0,0|3,0,0]=4 786 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [0,1,0,0,0,0|3,0,0]=4 787 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [0,1,0,0,0,0|3,0,0]=4 788 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [0,1,0,0,0,0|3,0,0]=4 789 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [0,1,0,0,0,0|3,0,0]=4 790 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,1,0,0,0,0|2,0,0]=3 791 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,1,0,0,0,0|2,0,0]=3 792 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,1,0,0,0,0|2,0,0]=3 793 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,1,0,0,0,0|2,0,0]=3 794 B9R0.1 CNC(=O)NNCC(C)O 512a_106832991638_200000730056 [0,1,0,0,0,0|3,0,0]=4 795 B9R0.1 CNC(=O)NNCC(C)O 512a_200000730056_100102657272 [0,1,0,0,0,0|3,0,0]=4 796 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [0,1,0,0,0,0|1,0,0]=2 797 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [0,1,0,0,0,0|1,0,2]=4 798 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [0,1,0,0,0,0|1,0,2]=4 799 B9R0.1 CNC(C)CCOC(C)C 270004a_106832991635_200011219172 [0,1,0,0,0,0|2,0,1]=4 800 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,1,0,0,0,0|2,0,1]=4 801 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,1,0,0,0,0|2,0,1]=4 802 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,1,0,0,0,0|2,0,1]=4 803 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,1,0,0,0,0|2,0,1]=4 804 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,1,0,0,0,0|2,0,1]=4 805 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,1,0,0,0,0|2,0,1]=4 806 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [0,1,0,0,0,0|0,0,0]=1 807 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [0,1,0,0,0,0|0,0,0]=1 808 B9R0.1 COC(C)CCCC(=O)[O-] 7a_100000761597_200000210301 [0,1,0,0,0,0|2,0,1]=4 809 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [0,1,0,0,0,0|0,0,2]=3 810 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [0,1,0,0,0,0|0,0,2]=3 811 B9R0.1 COC(C)CCOC(C)C 7a_100000764861_100000210206 [0,1,0,0,0,0|1,0,1]=3 812 B9R0.1 COC(C)COCC(C)C 34a_100000690652_100000210624 [0,1,0,0,0,0|1,0,2]=4 813 B9R0.1 COC(C)COCC(C)O 34a_100000690652_100011218427 [0,1,0,0,0,0|1,0,2]=4 814 B9R0.1 COC(C)COC[C@@H](C)O 34a_100000690652_100009817552 [0,1,0,0,0,0|1,0,2]=4 815 B9R0.1 COC(C)SCC=C(C)C 62a_100000761012_100009879195 [0,1,0,0,0,0|1,0,0]=2 816 B9R0.1 COC(C)SCC=C(C)C 62a_100009879195_100000761012 [0,1,0,0,0,0|1,0,0]=2 817 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,1,0,0,0,0|2,0,1]=4 818 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,1,0,0,0,0|2,0,1]=4 819 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [0,1,0,0,0,0|1,0,2]=4 820 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [0,1,0,0,0,0|1,0,2]=4 821 B9R0.1 COC(C)SCCC(C)O 62a_100009879195_100012276601 [0,1,0,0,0,0|1,0,1]=3 822 B9R0.1 COC(C)SCCC(C)O 62a_100012276601_100009879195 [0,1,0,0,0,0|1,0,1]=3 823 B9R0.1 COC(C)SCCN(C)C 62a_100009879195_100000755713 [0,1,0,0,0,0|2,0,1]=4 824 B9R0.1 COC(C)SCOC(=O)C 62a_100000076356_100009879195 [0,1,0,0,0,0|3,0,0]=4 825 B9R0.1 COC(C)SCOC(=O)C 62a_100009879195_100000076356 [0,1,0,0,0,0|3,0,0]=4 826 B9R0.1 COC(C)SCOC(C)C 62a_100000709892_100009879195 [0,1,0,0,0,0|2,0,1]=4 827 B9R0.1 COC(C)SCOC(C)C 62a_100009879195_100000709892 [0,1,0,0,0,0|2,0,1]=4 828 B9R0.1 CO[C@H](C)CNCC(C)C 2230a_100020591295_100000210760 [0,1,0,0,0,0|1,0,2]=4 829 B9R0.1 CO[C@H](C)CNCC(C)C 270004a_100020591295_100000210432 [0,1,0,0,0,0|1,0,2]=4 830 B9R0.1 CO[C@H](C)CNCC(C)O 2230a_100020591295_100011218427 [0,1,0,0,0,0|1,0,2]=4 831 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 2230a_100020591295_100009817552 [0,1,0,0,0,0|1,0,2]=4 832 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100000059175_100009817552 [0,1,0,0,0,0|1,0,2]=4 833 B9R0.1 C[C@@H](CO)CSC[C@@H](C)O 62a_100009817552_100000059175 [0,1,0,0,0,0|1,0,2]=4 834 B9R0.1 C[C@H](CO)SCCN(C)C 62a_100016084084_100000755713 [0,1,0,0,0,0|2,0,1]=4 835 B9R0.7 C=C(Br)C(=O)NCC(C)O 11a_100000210904_100009813364 [0,1,0,0,0,0|2,0,1]=4 836 B9R0.7 C=C(C)C(=O)CC=C(C)C 1458a_100000185857_100000761012 [0,1,0,0,0,0|1,0,2]=4 837 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,1,0,0,0,0|1,0,1]=3 838 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,1,0,0,0,0|0,0,1]=2 839 B9R0.7 C=C(C)C(=O)NCC(C)C 11a_100000210953_100000185857 [0,1,0,0,0,0|2,0,1]=4 840 B9R0.7 C=C(C)C(=O)NCC(C)C 1626a_100000210953_100000185857 [0,1,0,0,0,0|2,0,1]=4 841 B9R0.7 C=C(C)C(=O)NCC(C)O 11a_100000210904_100000185857 [0,1,0,0,0,0|1,0,1]=3 842 B9R0.7 C=C(C)C(C)NCC(C)O 269862a_100000210904_100011216138 [0,1,0,0,0,0|1,0,2]=4 843 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [0,1,0,0,0,0|1,0,2]=4 844 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,1,0,0,0,0|1,0,2]=4 845 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,1,0,0,0,0|1,0,2]=4 846 B9R0.7 C=C(C)CCC(=O)N(C)C 11a_100102631434_200000688413 [0,1,0,0,0,0|2,0,1]=4 847 B9R0.7 C=C(C)CCC(=O)N(C)C 1626a_100102631434_200000688413 [0,1,0,0,0,0|2,0,1]=4 848 B9R0.7 C=C(C)CCC(=O)N(C)C 240690a_100102631434_200000688413 [0,1,0,0,0,0|2,0,1]=4 849 B9R0.7 C=C(C)CCC(=O)N(C)C 527a_100102631434_200000688413 [0,1,0,0,0,0|2,0,1]=4 850 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [0,1,0,0,0,0|0,0,3]=4 851 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [0,1,0,0,0,0|0,0,3]=4 852 B9R0.7 C=C(Cl)C(=O)NCC(C)O 11a_100000210904_100000039160 [0,1,0,0,0,0|2,0,1]=4 853 B9R0.7 C=C(F)C(=O)NCC(C)O 11a_100000210904_100000036797 [0,1,0,0,0,0|2,0,1]=4 854 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100000210198_100000761012 [0,1,0,0,0,0|1,0,1]=3 855 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100011220947_100000210206 [0,1,0,0,0,0|1,0,1]=3 856 B9R0.7 CC(=CCC(=O)C(C)F)C 1458a_100000062450_100000761012 [0,1,0,0,0,0|1,0,1]=3 857 B9R0.7 CC(=CCC(=O)C(O)O)C 1458a_100000233687_100000761012 [0,1,0,0,0,0|1,0,1]=3 858 B9R0.7 CC(=CCC(=O)N(C)C)C 11a_100102631434_100011220947 [0,1,0,0,0,0|2,0,1]=4 859 B9R0.7 CC(=CCC(=O)N(C)C)C 1626a_100102631434_100011220947 [0,1,0,0,0,0|2,0,1]=4 860 B9R0.7 CC(=CCC(=O)N(C)C)C 240690a_100102631434_100011220947 [0,1,0,0,0,0|2,0,1]=4 861 B9R0.7 CC(=CCC(=O)N(C)C)C 527a_100102631434_100011220947 [0,1,0,0,0,0|2,0,1]=4 862 B9R0.7 CC(=CCC(=O)[C@@H](C)O)C 1458a_100000717761_100000761012 [0,1,0,0,0,0|0,0,1]=2 863 B9R0.7 CC(=CCC(=O)[C@H](C)O)C 1458a_217856618621_100000761012 [0,1,0,0,0,0|0,0,1]=2 864 B9R0.7 CC(=CCN(C)C(C)C)C 269982a_200000211004_100000761012 [0,1,0,0,0,0|2,0,0]=3 865 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,1,0,0,0,0|3,0,0]=4 866 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,1,0,0,0,0|3,0,0]=4 867 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,1,0,0,0,0|3,0,0]=4 868 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,1,0,0,0,0|3,0,0]=4 869 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,1,0,0,0,0|3,0,0]=4 870 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,1,0,0,0,0|2,0,1]=4 871 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,1,0,0,0,0|2,0,1]=4 872 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,1,0,0,0,0|2,0,1]=4 873 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,1,0,0,0,0|2,0,1]=4 874 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,1,0,0,0,0|2,0,1]=4 875 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,1,0,0,0,0|2,0,1]=4 876 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,1,0,0,0,0|2,0,1]=4 877 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,1,0,0,0,0|2,0,1]=4 878 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,1,0,0,0,0|1,0,2]=4 879 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,1,0,0,0,0|3,0,0]=4 880 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,1,0,0,0,0|3,0,0]=4 881 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,1,0,0,0,0|3,0,0]=4 882 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,1,0,0,0,0|3,0,0]=4 883 B9R0.7 CC(=O)NCC(O)C(C)C 11a_100000759067_100015343762 [0,1,0,0,0,0|3,0,0]=4 884 B9R0.7 CC(=O)NCC(O)C(C)C 240690a_100000759067_100015343762 [0,1,0,0,0,0|3,0,0]=4 885 B9R0.7 CC(=O)NCC(O)C(C)C 527a_100000759067_100103153847 [0,1,0,0,0,0|3,0,0]=4 886 B9R0.7 CC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000210206 [0,1,0,0,0,0|2,0,1]=4 887 B9R0.7 CC(C)C(C)NC[C@@H](C)O 2230a_100000211541_100009817552 [0,1,0,0,0,0|1,0,2]=4 888 B9R0.7 CC(C)C(C)OC[C@@H](C)O 7a_100000748068_100009817552 [0,1,0,0,0,0|1,0,2]=4 889 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [0,1,0,0,0,0|1,0,1]=3 890 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [0,1,0,0,0,0|1,0,1]=3 891 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [0,1,0,0,0,0|2,0,1]=4 892 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [0,1,0,0,0,0|2,0,0]=3 893 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [0,1,0,0,0,0|2,0,0]=3 894 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [0,1,0,0,0,0|2,0,0]=3 895 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [0,1,0,0,0,0|2,0,0]=3 896 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,1,0,0,0,0|0,0,3]=4 897 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,1,0,0,0,0|0,0,3]=4 898 B9R0.7 CC(C)CCC(C)N(C)C 2230a_100102631434_100011261404 [0,1,0,0,0,0|2,0,1]=4 899 B9R0.7 CC(C)CCC(C)N(C)C 269982a_100102631434_100011261404 [0,1,0,0,0,0|2,0,1]=4 900 B9R0.7 CC(C)CCC(C)N(C)C 270004a_100102631434_100000210476 [0,1,0,0,0,0|2,0,1]=4 901 B9R0.7 CC(C)CCN(C)C(C)C 2230a_100000742789_100000210206 [0,1,0,0,0,0|2,0,1]=4 902 B9R0.7 CC(C)CCN(C)C(C)C 269982a_100000742789_100000210206 [0,1,0,0,0,0|2,0,1]=4 903 B9R0.7 CC(C)CCN(C)C(C)C 269982a_200000211004_100000210312 [0,1,0,0,0,0|2,0,1]=4 904 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,1,0,0,0,0|3,0,0]=4 905 B9R0.7 CC(C)CNC(=O)C(C)C 11a_100000210953_100000210198 [0,1,0,0,0,0|2,0,1]=4 906 B9R0.7 CC(C)CNC(=O)C(C)C 1626a_100000210953_100000210198 [0,1,0,0,0,0|2,0,1]=4 907 B9R0.7 CC(C)CNC(=O)C(C)C 240690a_100000210953_100000210198 [0,1,0,0,0,0|2,0,1]=4 908 B9R0.7 CC(C)CNC(=O)C(C)C 527a_100000210953_100000210198 [0,1,0,0,0,0|2,0,1]=4 909 B9R0.7 CC(C)CNC(=O)N(C)C 2708a_100000210953_100102631434 [0,1,0,0,0,0|3,0,0]=4 910 B9R0.7 CC(C)NCC(=O)C(C)C 2230a_100138425928_100000753385 [0,1,0,0,0,0|2,0,1]=4 911 B9R0.7 CC(C)NCC(=O)C(C)C 34a_100138425928_100000753385 [0,1,0,0,0,0|2,0,1]=4 912 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100015183351_100000210206 [0,1,0,0,0,0|3,0,0]=4 913 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100138425928_100000185267 [0,1,0,0,0,0|3,0,0]=4 914 B9R0.7 CC(C)NCC(=O)N(C)C 34a_100138425928_100000692301 [0,1,0,0,0,0|3,0,0]=4 915 B9R0.7 CC(C)NCC(O)C(C)C 2230a_100000759067_100000210206 [0,1,0,0,0,0|2,0,1]=4 916 B9R0.7 CC(C)NCC(O)C(C)C 34a_100000759067_100000210206 [0,1,0,0,0,0|2,0,1]=4 917 B9R0.7 CC(C)OCC(=O)C(C)C 1458a_100000745533_100000210206 [0,1,0,0,0,0|2,0,1]=4 918 B9R0.7 CC(C)OCC(=O)C(C)C 34a_100000212225_100000753385 [0,1,0,0,0,0|2,0,1]=4 919 B9R0.7 CC(C)OCC(=O)N(C)C 11a_100102631434_100000745533 [0,1,0,0,0,0|3,0,0]=4 920 B9R0.7 CC(C)OCC(=O)N(C)C 1626a_100102631434_100000745533 [0,1,0,0,0,0|3,0,0]=4 921 B9R0.7 CC(C)OCC(=O)N(C)C 240690a_100102631434_100000745533 [0,1,0,0,0,0|3,0,0]=4 922 B9R0.7 CC(C)OCC(=O)N(C)C 34a_100000212225_100000692301 [0,1,0,0,0,0|3,0,0]=4 923 B9R0.7 CC(C)OCC(=O)N(C)C 527a_100102631434_100000745533 [0,1,0,0,0,0|3,0,0]=4 924 B9R0.7 CC(C)OC[C@H](N)C(C)C 34a_100011830312_100000210206 [0,1,0,0,0,0|2,0,1]=4 925 B9R0.7 CC(C)SCC(=O)C(C)C 1458a_100000241585_100000210206 [0,1,0,0,0,0|2,0,1]=4 926 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000210206_100000753385 [0,1,0,0,0,0|2,0,1]=4 927 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000753385_100000210206 [0,1,0,0,0,0|2,0,1]=4 928 B9R0.7 CC(C)SCC(=O)N(C)C 11a_100102631434_100000241585 [0,1,0,0,0,0|3,0,0]=4 929 B9R0.7 CC(C)SCC(=O)N(C)C 1626a_100102631434_100000241585 [0,1,0,0,0,0|3,0,0]=4 930 B9R0.7 CC(C)SCC(=O)N(C)C 240690a_100102631434_100000241585 [0,1,0,0,0,0|3,0,0]=4 931 B9R0.7 CC(C)SCC(=O)N(C)C 527a_100102631434_100000241585 [0,1,0,0,0,0|3,0,0]=4 932 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000210206_100000692301 [0,1,0,0,0,0|3,0,0]=4 933 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000692301_100000210206 [0,1,0,0,0,0|3,0,0]=4 934 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [0,1,0,0,0,0|0,0,1]=2 935 B9R0.7 CC(O)CCC(=O)C(C)F 1458a_100000062450_100012276601 [0,1,0,0,0,0|1,0,1]=3 936 B9R0.7 CC(O)CCC(=O)C(O)O 1458a_100000233687_100012276601 [0,1,0,0,0,0|2,0,1]=4 937 B9R0.7 CC(O)CCC(=O)N(C)C 1626a_100102631434_100000718519 [0,1,0,0,0,0|1,0,0]=2 938 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,1,0,0,0,0|1,0,1]=3 939 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,1,0,0,0,0|1,0,1]=3 940 B9R0.7 CC(O)CCN(C)C(C)C 269982a_200000211004_100012276601 [0,1,0,0,0,0|1,0,1]=3 941 B9R0.7 CC(O)CNC(=O)C(=O)N 240690a_100000210904_100011215815 [0,1,0,0,0,0|3,0,0]=4 942 B9R0.7 CC(O)CNC(=O)C(C)C 11a_100000210904_100000210198 [0,1,0,0,0,0|1,0,1]=3 943 B9R0.7 CC(O)CNC(=O)C(C)C 240690a_100000210904_100000210198 [0,1,0,0,0,0|1,0,1]=3 944 B9R0.7 CC(O)CNC(=O)C(C)C 527a_100000210904_100000210198 [0,1,0,0,0,0|1,0,1]=3 945 B9R0.7 CC(O)CNC(=O)C(C)F 11a_100000210904_100000062450 [0,1,0,0,0,0|2,0,1]=4 946 B9R0.7 CC(O)CNC(=O)C(C)F 240690a_100000210904_100000062450 [0,1,0,0,0,0|2,0,1]=4 947 B9R0.7 CC(O)CNC(=O)C(C)F 527a_100000210904_100000062450 [0,1,0,0,0,0|2,0,1]=4 948 B9R0.7 CC(O)CNC(=O)[C@@H](C)O 240690a_100000210904_100000717761 [0,1,0,0,0,0|2,0,1]=4 949 B9R0.7 CC(O)CNC(=O)[C@H](C)O 240690a_100000210904_217856618621 [0,1,0,0,0,0|2,0,1]=4 950 B9R0.7 CC(O)CNC(C)C(C)C 2230a_100000211541_100011218427 [0,1,0,0,0,0|1,0,2]=4 951 B9R0.7 CC(O)COC(C)C(C)C 7a_100000748068_100011218427 [0,1,0,0,0,0|1,0,2]=4 952 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,1,0,0,0,0|1,0,2]=4 953 B9R0.7 CN(C)C(=O)CC[S+](C)C 11a_100102631434_100009452791 [0,1,0,0,0,0|3,0,0]=4 954 B9R0.7 CN(C)C(=O)CC[S+](C)C 1626a_100102631434_100009452791 [0,1,0,0,0,0|3,0,0]=4 955 B9R0.7 CN(C)C(=O)CC[S+](C)C 240690a_100102631434_100009452791 [0,1,0,0,0,0|3,0,0]=4 956 B9R0.7 CN(C)CCC(=O)N(C)C 11a_100102631434_100000689311 [0,1,0,0,0,0|3,0,0]=4 957 B9R0.7 CN(C)CCC(=O)N(C)C 2230a_100102631434_100000737620 [0,1,0,0,0,0|3,0,0]=4 958 B9R0.7 CN(C)CCC(=O)N(C)C 240690a_100102631434_100000689311 [0,1,0,0,0,0|3,0,0]=4 959 B9R0.7 CN(C)CCC(=O)N(C)C 269982a_100102631434_100000737620 [0,1,0,0,0,0|3,0,0]=4 960 B9R0.7 CN(C)CCC(=O)N(C)C 527a_100102631434_100000689311 [0,1,0,0,0,0|3,0,0]=4 961 B9R0.53 C=C(C)CC(=O)C=C(C)C 1458a_100000211388_100000748629 [0,1,0,0,0,0|1,0,2]=4 962 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [0,1,0,0,0,0|0,0,3]=4 963 B9R0.53 C=C(C)CN(C)CC(C)O 2230a_100000225649_100011218427 [0,1,0,0,0,0|1,0,2]=4 964 B9R0.53 C=C(C)CN(C)CC(C)O 2230a_100000227577_100000748629 [0,1,0,0,0,0|1,0,2]=4 965 B9R0.53 C=C(C)CN(C)CC(C)O 269982a_100000225649_100011218427 [0,1,0,0,0,0|1,0,2]=4 966 B9R0.53 C=C(C)CN(C)CC(C)O 269982a_100000227577_100000748629 [0,1,0,0,0,0|1,0,2]=4 967 B9R0.53 C=C(C)CN(C)C[C@@H](C)O 2230a_100000225649_100009817552 [0,1,0,0,0,0|1,0,2]=4 968 B9R0.53 C=C(C)CN(C)C[C@@H](C)O 269982a_100000225649_100009817552 [0,1,0,0,0,0|1,0,2]=4 969 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,1,0,0,0,0|1,0,1]=3 970 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,1,0,0,0,0|2,0,1]=4 971 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,1,0,0,0,0|2,0,1]=4 972 B9R0.53 CC(=CC(=O)CC(C)O)C 1458a_100000211388_100011218427 [0,1,0,0,0,0|0,0,1]=2 973 B9R0.53 CC(=CC(=O)CC(C)O)Cl 1458a_200042562850_100011218427 [0,1,0,0,0,0|1,0,1]=3 974 B9R0.53 CC(=CC(=O)CC(C)O)I 1458a_100025716642_100011218427 [0,1,0,0,0,0|1,0,1]=3 975 B9R0.53 CC(=CC(=O)CC(F)F)C 1458a_100000211388_100011934356 [0,1,0,0,0,0|2,0,1]=4 976 B9R0.53 CC(=CC(=O)NC(C)C)C 11a_100138425928_100000211388 [0,1,0,0,0,0|2,0,1]=4 977 B9R0.53 CC(=CC(=O)NC(C)C)C 1626a_100138425928_100000211388 [0,1,0,0,0,0|2,0,1]=4 978 B9R0.53 CC(=CC(=O)NC(C)C)C 240690a_100138425928_100000211388 [0,1,0,0,0,0|2,0,1]=4 979 B9R0.53 CC(=CC(C)OC(C)C)C 34a_100000717055_100000210206 [0,1,0,0,0,0|2,0,0]=3 980 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [0,1,0,0,0,0|3,0,0]=4 981 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [0,1,0,0,0,0|3,0,0]=4 982 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [0,1,0,0,0,0|3,0,0]=4 983 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [0,1,0,0,0,0|3,0,0]=4 984 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,1,0,0,0,0|0,0,3]=4 985 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,1,0,0,0,0|0,0,3]=4 986 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100000692259_100000210206 [0,1,0,0,0,0|2,0,1]=4 987 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100138425928_100000731052 [0,1,0,0,0,0|2,0,1]=4 988 B9R0.53 CC(C)CC(C)NC(C)C 34a_100138425928_100000731052 [0,1,0,0,0,0|2,0,1]=4 989 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [0,1,0,0,0,0|2,0,1]=4 990 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [0,1,0,0,0,0|2,0,1]=4 991 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [0,1,0,0,0,0|2,0,1]=4 992 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000210206_100000731052 [0,1,0,0,0,0|2,0,1]=4 993 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000731052_100000210206 [0,1,0,0,0,0|2,0,1]=4 994 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000227577_100000210760 [0,1,0,0,0,0|1,0,2]=4 995 B9R0.53 CC(C)CN(C)CC(C)O 2230a_100000747067_100011218427 [0,1,0,0,0,0|1,0,2]=4 996 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000227577_100000210624 [0,1,0,0,0,0|1,0,2]=4 997 B9R0.53 CC(C)CN(C)CC(C)O 269982a_100000747067_100011218427 [0,1,0,0,0,0|1,0,2]=4 998 B9R0.53 CC(C)CN(C)CC(C)O 270004a_100000227577_100000210432 [0,1,0,0,0,0|1,0,2]=4 999 B9R0.53 CC(C)CN(C)C[C@@H](C)O 2230a_100000747067_100009817552 [0,1,0,0,0,0|1,0,2]=4 1000 B9R0.53 CC(C)CN(C)C[C@@H](C)O 269982a_100000747067_100009817552 [0,1,0,0,0,0|1,0,2]=4 1001 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [0,1,0,0,0,0|1,0,2]=4 1002 B9R0.53 CC(O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100011218427 [0,1,0,0,0,0|2,0,1]=4 1003 B9R0.53 CC(O)CC(=O)CN(C)C 1458a_100000750896_100011218427 [0,1,0,0,0,0|1,0,2]=4 1004 B9R0.53 CC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218427 [0,1,0,0,0,0|1,0,2]=4 1005 B9R0.56 C=C(C)CNCC(C)(C)O 2230a_100000751335_100000748629 [0,1,0,0,0,0|1,0,2]=4 1006 B9R0.56 C=C(C)COCC(C)(C)O 34a_100000210245_100000764493 [0,1,0,0,0,0|1,0,2]=4 1007 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000748629_100000764493 [0,1,0,0,0,0|1,0,2]=4 1008 B9R0.56 C=C(C)CSCC(C)(C)O 62a_100000764493_100000211660 [0,1,0,0,0,0|1,0,2]=4 1009 B9R0.56 CC(=CCNC(C)(C)C)C 2230a_100000715429_100000761012 [0,1,0,0,0,0|2,0,0]=3 1010 B9R0.56 CC(=CCNC(C)(C)C)C 34a_100000718196_100000210625 [0,1,0,0,0,0|2,0,0]=3 1011 B9R0.56 CC(=CCNC(F)(F)F)C 34a_100000718196_200103152311 [0,1,0,0,0,0|3,0,0]=4 1012 B9R0.56 CC(=CCNS(=O)(=O)C)C 40a_100000718196_100000738038 [0,1,0,0,0,0|2,0,1]=4 1013 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100000753907_100000210625 [0,1,0,0,0,0|2,0,0]=3 1014 B9R0.56 CC(=CCOC(C)(C)C)C 34a_100015890283_100000761012 [0,1,0,0,0,0|2,0,0]=3 1015 B9R0.56 CC(=CCOC(C)(C)C)C 7a_100015890283_100000761012 [0,1,0,0,0,0|2,0,0]=3 1016 B9R0.56 CC(=CCOC(F)(F)F)C 34a_100000753907_200103152311 [0,1,0,0,0,0|3,0,0]=4 1017 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000211941_100000761012 [0,1,0,0,0,0|2,0,0]=3 1018 B9R0.56 CC(=CCSC(C)(C)C)C 62a_100000761012_100000211941 [0,1,0,0,0,0|2,0,0]=3 1019 B9R0.56 CC(=CCSC(F)(F)F)C 62a_100000761012_200103152311 [0,1,0,0,0,0|3,0,0]=4 1020 B9R0.56 CC(=CCSC(F)(F)F)C 62a_200000243211_100000761012 [0,1,0,0,0,0|3,0,0]=4 1021 B9R0.56 CC(=O)COCC(C)(C)O 34a_100000211253_100000764493 [0,1,0,0,0,0|2,0,1]=4 1022 B9R0.56 CC(=O)NCCC(C)(C)C 11a_100000738805_100015343762 [0,1,0,0,0,0|3,0,0]=4 1023 B9R0.56 CC(=O)NCCC(C)(C)C 1626a_100000738805_100015343762 [0,1,0,0,0,0|3,0,0]=4 1024 B9R0.56 CC(=O)NCCC(C)(C)C 240690a_100000738805_100015343762 [0,1,0,0,0,0|3,0,0]=4 1025 B9R0.56 CC(=O)NCCC(C)(C)C 527a_100000738805_100103153847 [0,1,0,0,0,0|3,0,0]=4 1026 B9R0.56 CC(=O)NCCC(C)(C)F 11a_100016253952_100015343762 [0,1,0,0,0,0|3,0,0]=4 1027 B9R0.56 CC(=O)NCCC(C)(C)F 1626a_100016253952_100015343762 [0,1,0,0,0,0|3,0,0]=4 1028 B9R0.56 CC(=O)NCCC(C)(C)F 240690a_100016253952_100015343762 [0,1,0,0,0,0|3,0,0]=4 1029 B9R0.56 CC(=O)NCCC(C)(C)F 527a_100016253952_100103153847 [0,1,0,0,0,0|3,0,0]=4 1030 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [0,1,0,0,0,0|2,0,0]=3 1031 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [0,1,0,0,0,0|2,0,0]=3 1032 B9R0.56 CC(Br)CCOC(C)(C)C 34a_100009893172_100000210625 [0,1,0,0,0,0|2,0,1]=4 1033 B9R0.56 CC(C)CCNC(C)(C)C 2230a_100000715429_100000210312 [0,1,0,0,0,0|2,0,1]=4 1034 B9R0.56 CC(C)CCOC(C)(C)C 34a_100000210254_100000210625 [0,1,0,0,0,0|2,0,1]=4 1035 B9R0.56 CC(C)CCOC(C)(C)C 34a_100015890283_100000210312 [0,1,0,0,0,0|2,0,1]=4 1036 B9R0.56 CC(C)CCOC(C)(C)C 7a_100015890283_100000210626 [0,1,0,0,0,0|2,0,1]=4 1037 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000210312_100000211941 [0,1,0,0,0,0|2,0,1]=4 1038 B9R0.56 CC(C)CCSC(C)(C)C 62a_100000211941_100000210312 [0,1,0,0,0,0|2,0,1]=4 1039 B9R0.56 CC(C)CNCC(C)(C)O 2230a_100000751335_100000210760 [0,1,0,0,0,0|1,0,2]=4 1040 B9R0.56 CC(C)CNCC(C)(C)O 270004a_100000751335_100000210432 [0,1,0,0,0,0|1,0,2]=4 1041 B9R0.56 CC(C)CNCC(C)(C)O 34a_100000210953_100000764493 [0,1,0,0,0,0|1,0,2]=4 1042 B9R0.56 CC(C)COCC(C)(C)O 34a_100000210257_100000764493 [0,1,0,0,0,0|1,0,2]=4 1043 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000210624_100000764493 [0,1,0,0,0,0|1,0,2]=4 1044 B9R0.56 CC(C)CSCC(C)(C)O 62a_100000764493_100000210760 [0,1,0,0,0,0|1,0,2]=4 1045 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100000738805_100000210206 [0,1,0,0,0,0|2,0,1]=4 1046 B9R0.56 CC(C)NCCC(C)(C)C 2230a_100138425928_100000755188 [0,1,0,0,0,0|2,0,1]=4 1047 B9R0.56 CC(C)NCCC(C)(C)C 34a_100138425928_100000755188 [0,1,0,0,0,0|2,0,1]=4 1048 B9R0.56 CC(C)NCCC(C)(C)F 2230a_100016253952_100000210206 [0,1,0,0,0,0|2,0,1]=4 1049 B9R0.56 CC(C)NCCC(C)(C)O 2230a_100138425928_100000702414 [0,1,0,0,0,0|1,0,1]=3 1050 B9R0.56 CC(C)NCCC(C)(C)O 34a_100138425928_100000702414 [0,1,0,0,0,0|1,0,1]=3 1051 B9R0.56 CC(C)OCCC(C)(C)C 34a_100000212225_100000755188 [0,1,0,0,0,0|2,0,1]=4 1052 B9R0.56 CC(C)OCCC(C)(C)C 7a_100000765024_100000210206 [0,1,0,0,0,0|2,0,1]=4 1053 B9R0.56 CC(C)OCCC(C)(C)O 34a_100000212225_100000702414 [0,1,0,0,0,0|1,0,1]=3 1054 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000210206_100000755188 [0,1,0,0,0,0|2,0,1]=4 1055 B9R0.56 CC(C)SCCC(C)(C)C 62a_100000755188_100000210206 [0,1,0,0,0,0|2,0,1]=4 1056 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000210206_100000702414 [0,1,0,0,0,0|1,0,1]=3 1057 B9R0.56 CC(C)SCCC(C)(C)O 62a_100000702414_100000210206 [0,1,0,0,0,0|1,0,1]=3 1058 B9R0.56 CC(O)CCNC(C)(C)C 2230a_100000715429_100012276601 [0,1,0,0,0,0|1,0,1]=3 1059 B9R0.56 CC(O)CCNS(=O)(=O)C 40a_200000755665_100000738038 [0,1,0,0,0,0|3,0,0]=4 1060 B9R0.56 CC(O)CCOC(C)(C)C 34a_100015890283_100012276601 [0,1,0,0,0,0|1,0,1]=3 1061 B9R0.56 CC(O)CCOC(C)(C)C 7a_100015890283_100012276601 [0,1,0,0,0,0|1,0,1]=3 1062 B9R0.56 CC(O)CCSC(C)(C)C 62a_100000211941_100012276601 [0,1,0,0,0,0|1,0,1]=3 1063 B9R0.56 CC(O)CCSC(C)(C)C 62a_100012276601_100000211941 [0,1,0,0,0,0|1,0,1]=3 1064 B9R0.56 CC(O)CNCC(C)(C)C 2230a_100000743828_100011218427 [0,1,0,0,0,0|1,0,2]=4 1065 B9R0.56 CC(O)CNCC(C)(C)C 270004a_100000210904_100011204126 [0,1,0,0,0,0|1,0,2]=4 1066 B9R0.56 CC(O)CNCC(C)(C)C 34a_100000210904_100011219605 [0,1,0,0,0,0|1,0,2]=4 1067 B9R0.56 CC(O)CNCC(C)(C)F 2230a_100020643315_100011218427 [0,1,0,0,0,0|1,0,2]=4 1068 B9R0.56 CC(O)CNCC(C)(C)F 34a_100000210904_100011997219 [0,1,0,0,0,0|1,0,2]=4 1069 B9R0.56 CC(O)CNCC(C)(C)O 2230a_100000751335_100011218427 [0,1,0,0,0,0|1,0,2]=4 1070 B9R0.56 CC(O)CNCC(C)(C)O 34a_100000210904_100000764493 [0,1,0,0,0,0|1,0,2]=4 1071 B9R0.56 CC(O)CNC[Si](C)(C)C 2230a_100000210904_100000037933 [0,1,0,0,0,0|1,1,1]=4 1072 B9R0.56 CC(O)COCC(C)(C)F 34a_100000716592_100011218427 [0,1,0,0,0,0|1,0,2]=4 1073 B9R0.56 CC(O)CSCC(C)(C)C 62a_100011218427_100011219605 [0,1,0,0,0,0|1,0,2]=4 1074 B9R0.56 CC(O)CSCC(C)(C)C 62a_100011219605_100011218427 [0,1,0,0,0,0|1,0,2]=4 1075 B9R0.56 CC(O)CSCC(C)(C)F 62a_100011218427_100011997219 [0,1,0,0,0,0|1,0,2]=4 1076 B9R0.56 CC(O)CSCC(C)(C)F 62a_100011997219_100011218427 [0,1,0,0,0,0|1,0,2]=4 1077 B9R0.56 CC(O)CSCC(C)(C)O 62a_100000764493_100011218427 [0,1,0,0,0,0|1,0,2]=4 1078 B9R0.56 CC(O)CSCC(C)(C)O 62a_100011218427_100000764493 [0,1,0,0,0,0|1,0,2]=4 1079 B9R0.56 CC(O)CSC[N+](C)(C)C 62a_100011218427_200000036245 [0,1,0,0,0,0|2,0,1]=4 1080 B9R0.56 CC(O)CSC[N+](C)(C)C 62a_200000036245_100011218427 [0,1,0,0,0,0|2,0,1]=4 1081 B9R0.56 CC(O)CSC[Si](C)(C)C 62a_100000037933_100011218427 [0,1,0,0,0,0|1,1,1]=4 1082 B9R0.56 CC(O)CSC[Si](C)(C)C 62a_100011218427_100000037933 [0,1,0,0,0,0|1,1,1]=4 1083 B9R0.56 CN(C)CCCC(C)(C)O 2230a_100102631434_100009888830 [0,1,0,0,0,0|1,0,1]=3 1084 B9R0.56 CN(C)CCCC(C)(C)O 269982a_100102631434_100009888830 [0,1,0,0,0,0|1,0,1]=3 1085 B9R0.56 C[C@@H](N)CCOC(C)(C)C 34a_100000706166_100000210625 [0,1,0,0,0,0|2,0,1]=4 1086 B9R0.56 C[C@@H](O)CNCC(C)(C)C 2230a_100000743828_100009817552 [0,1,0,0,0,0|1,0,2]=4 1087 B9R0.56 C[C@@H](O)CNCC(C)(C)F 2230a_100020643315_100009817552 [0,1,0,0,0,0|1,0,2]=4 1088 B9R0.56 C[C@@H](O)CNCC(C)(C)O 2230a_100000751335_100009817552 [0,1,0,0,0,0|1,0,2]=4 1089 B9R0.56 C[C@@H](O)COCC(C)(C)F 34a_100000716592_100009817552 [0,1,0,0,0,0|1,0,2]=4 1090 B9R0.56 C[C@@H](O)CSCC(C)(C)C 62a_100009817552_100011219605 [0,1,0,0,0,0|1,0,2]=4 1091 B9R0.56 C[C@@H](O)CSCC(C)(C)C 62a_100011219605_100009817552 [0,1,0,0,0,0|1,0,2]=4 1092 B9R0.56 C[C@@H](O)CSCC(C)(C)F 62a_100009817552_100011997219 [0,1,0,0,0,0|1,0,2]=4 1093 B9R0.56 C[C@@H](O)CSCC(C)(C)F 62a_100011997219_100009817552 [0,1,0,0,0,0|1,0,2]=4 1094 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100000764493_100009817552 [0,1,0,0,0,0|1,0,2]=4 1095 B9R0.56 C[C@@H](O)CSCC(C)(C)O 62a_100009817552_100000764493 [0,1,0,0,0,0|1,0,2]=4 1096 B9R0.56 C[C@@H](O)CSC[N+](C)(C)C 62a_100009817552_200000036245 [0,1,0,0,0,0|2,0,1]=4 1097 B9R0.56 C[C@@H](O)CSC[N+](C)(C)C 62a_200000036245_100009817552 [0,1,0,0,0,0|2,0,1]=4 1098 B9R0.56 C[C@@H](O)CSC[Si](C)(C)C 62a_100000037933_100009817552 [0,1,0,0,0,0|1,1,1]=4 1099 B9R0.56 C[C@@H](O)CSC[Si](C)(C)C 62a_100009817552_100000037933 [0,1,0,0,0,0|1,1,1]=4 1100 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,1,0,0|1,0,1]=3 1101 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,0,0,1,0,0|2,0,0]=3 1102 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,0,0,1,0,0|2,0,0]=3 1103 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,0,0,1,0,0|3,0,0]=4 1104 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,0,0,1,0,0|3,0,0]=4 1105 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,0,0,1,0,0|3,0,0]=4 1106 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,0,0,1,0,0|3,0,0]=4 1107 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,0,0,1,0,0|3,0,0]=4 1108 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,0,0,1,0,0|3,0,0]=4 1109 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,0,0,1,0,0|3,0,0]=4 1110 B9R1.35 CC(C)N1CCC(C1)O 2230a_100011215560_100000210206 [0,0,0,1,0,0|1,0,1]=3 1111 B9R1.35 CC(C)N1CCC(C1)O 269982a_100011215560_100000210206 [0,0,0,1,0,0|1,0,1]=3 1112 B9R1.35 CC(C)N1CC[C@@H](C1)F 2230a_100015203821_100000210206 [0,0,0,1,0,0|2,0,1]=4 1113 B9R1.35 CC(C)N1CC[C@@H](C1)F 269982a_100015203821_100000210206 [0,0,0,1,0,0|2,0,1]=4 1114 B9R1.35 CC(C)N1CC[C@@H](C1)F 34a_100015203821_100000210206 [0,0,0,1,0,0|2,0,1]=4 1115 B9R1.35 CC(C)N1CC[C@H](C1)C 2230a_100016987628_100000210206 [0,0,0,1,0,0|2,0,1]=4 1116 B9R1.35 CC(C)N1CC[C@H](C1)C 269982a_100016987628_100000210206 [0,0,0,1,0,0|2,0,1]=4 1117 B9R1.35 CC(C)N1CC[C@H](C1)C 34a_100016987628_100000210206 [0,0,0,1,0,0|2,0,1]=4 1118 B9R1.35 CC1CCC(C1)N(C)C 270004a_100102631434_100011215218 [0,0,0,1,0,0|2,0,1]=4 1119 B9R1.35 CN(C)C1CCC(C1)O 270004a_100102631434_100012614533 [0,0,0,1,0,0|1,0,1]=3 1120 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,1,0,0|1,0,1]=3 1121 B9R1.46 CC(C)OCC1CC1C 34a_100000744939_100000210206 [0,0,0,1,0,0|2,0,1]=4 1122 B9R1.46 CC(C)OCC1CC1C 7a_100000744939_100000210206 [0,0,0,1,0,0|2,0,1]=4 1123 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,0,0,1,0,0|2,0,1]=4 1124 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,0,0,1,0,0|2,0,1]=4 1125 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,0,0,1,0,0|2,0,1]=4 1126 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,0,0,1,0,0|2,0,1]=4 1127 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,0,0,1,0,0|2,0,1]=4 1128 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,0,0,1,0,0|2,0,1]=4 1129 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,0,0,1,0,0|1,0,1]=3 1130 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,0,0,1,0,0|1,0,1]=3 1131 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,0,0,1,0,0|1,0,1]=3 1132 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,0,0,1,0,0|1,0,1]=3 1133 B9R1.53 C=C(C)CN1CC(C1)O 269982a_100000749847_100000748629 [0,0,0,1,0,0|1,0,2]=4 1134 B9R1.53 CC(=O)NC1CC(C1)F 11a_100016993743_100015343762 [0,0,0,1,0,0|3,0,0]=4 1135 B9R1.53 CC(=O)NC1CC(C1)F 1626a_100016993743_100015343762 [0,0,0,1,0,0|3,0,0]=4 1136 B9R1.53 CC(=O)NC1CC(C1)F 240690a_100016993743_100015343762 [0,0,0,1,0,0|3,0,0]=4 1137 B9R1.53 CC(=O)NC1CC(C1)F 527a_100016993743_100103153847 [0,0,0,1,0,0|3,0,0]=4 1138 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 1139 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 1140 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 1141 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 1142 B9R1.53 CC(C)CC1CN(C1)C 2230a_214813039686_200000210301 [0,0,0,1,0,0|2,0,1]=4 1143 B9R1.53 CC(C)CC1CN(C1)C 269982a_214813039686_200000210301 [0,0,0,1,0,0|2,0,1]=4 1144 B9R1.53 CC(C)CC1CN(C1)C 34a_214813039686_200000210301 [0,0,0,1,0,0|2,0,1]=4 1145 B9R1.53 CC(C)CC1CN(C1)[13CH3] 2230a_214813039686_200025704644 [0,0,0,1,0,0|2,0,1]=4 1146 B9R1.53 CC(C)CC1CN(C1)[13CH3] 269982a_214813039686_200025704644 [0,0,0,1,0,0|2,0,1]=4 1147 B9R1.53 CC(C)CC1CN(C1)[13CH3] 34a_214813039686_200025704644 [0,0,0,1,0,0|2,0,1]=4 1148 B9R1.53 CC(C)CN1CC(C1)O 269982a_100000749847_100000210624 [0,0,0,1,0,0|1,0,2]=4 1149 B9R1.53 CC(C)NC1CC(C1)F 2230a_100016993743_100000210206 [0,0,0,1,0,0|2,0,1]=4 1150 B9R1.53 CC(C)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210206 [0,0,0,1,0,0|1,0,1]=3 1151 B9R1.53 CC(O)CN1CC(C1)C 2230a_100000702820_100011218427 [0,0,0,1,0,0|1,0,2]=4 1152 B9R1.53 CC(O)CN1CC(C1)C 269982a_100000702820_100011218427 [0,0,0,1,0,0|1,0,2]=4 1153 B9R1.53 CC(O)CN1CC(C1)C 34a_100000702820_100011218427 [0,0,0,1,0,0|1,0,2]=4 1154 B9R1.53 CC1CN(C1)C[C@@H](C)O 2230a_100000702820_100009817552 [0,0,0,1,0,0|1,0,2]=4 1155 B9R1.53 CC1CN(C1)C[C@@H](C)O 269982a_100000702820_100009817552 [0,0,0,1,0,0|1,0,2]=4 1156 B9R1.53 CC1CN(C1)C[C@@H](C)O 34a_100000702820_100009817552 [0,0,0,1,0,0|1,0,2]=4 1157 B9R1.66 CC1(CCCN(C1)[13CH3])C 2230a_100000716857_200025704644 [0,0,0,1,0,0|2,0,1]=4 1158 B9R1.66 CC1(CCCN(C1)[13CH3])C 269982a_100000716857_200025704644 [0,0,0,1,0,0|2,0,1]=4 1159 B9R1.66 CC1(CCCN(C1)[13CH3])C 34a_100000716857_200025704644 [0,0,0,1,0,0|2,0,1]=4 1160 B9R1.66 CC1(CCCN(C1)[13CH3])O 2230a_100000695535_200025704644 [0,0,0,1,0,0|1,0,1]=3 1161 B9R1.66 CC1(CCCN(C1)[13CH3])O 269982a_100000695535_200025704644 [0,0,0,1,0,0|1,0,1]=3 1162 B9R1.66 CN1CCCC(C1)(C)C 2230a_100000716857_200000210301 [0,0,0,1,0,0|2,0,1]=4 1163 B9R1.66 CN1CCCC(C1)(C)C 269982a_100000716857_200000210301 [0,0,0,1,0,0|2,0,1]=4 1164 B9R1.66 CN1CCCC(C1)(C)C 34a_100000716857_200000210301 [0,0,0,1,0,0|2,0,1]=4 1165 B9R1.66 CN1CCCC(C1)(C)O 2230a_100000695535_200000210301 [0,0,0,1,0,0|1,0,1]=3 1166 B9R1.66 CN1CCCC(C1)(C)O 269982a_100000695535_200000210301 [0,0,0,1,0,0|1,0,1]=3 1167 B9R1.85 C=C(C)COCC1CO1 34a_100000210245_102125554688 [0,0,0,1,0,0|1,0,2]=4 1168 B9R1.85 C=C(C)COC[C@@H]1CO1 34a_100000757423_100000748629 [0,0,0,1,0,0|1,0,2]=4 1169 B9R1.85 C=C(C)CSCC1CO1 62a_100000748629_102125554688 [0,0,0,1,0,0|1,0,2]=4 1170 B9R1.85 C=C(C)CSCC1CO1 62a_102125554688_100000211660 [0,0,0,1,0,0|1,0,2]=4 1171 B9R1.85 C=C(C)CSC[C@@H]1CO1 62a_100000745022_100000211660 [0,0,0,1,0,0|1,0,2]=4 1172 B9R1.85 C=C(C)CSC[C@@H]1CO1 62a_100000748629_100000745022 [0,0,0,1,0,0|1,0,2]=4 1173 B9R1.85 CC(=CCNC1CC1)C 34a_100000212008_100000761012 [0,0,0,1,0,0|2,0,0]=3 1174 B9R1.85 CC(=CCNC1CC1)C 34a_100000718196_100000211595 [0,0,0,1,0,0|2,0,0]=3 1175 B9R1.85 CC(=CCOC1CC1)C 34a_100000753907_100000211595 [0,0,0,1,0,0|2,0,0]=3 1176 B9R1.85 CC(=CCSC1CC1)C 62a_100000761012_100000211595 [0,0,0,1,0,0|2,0,0]=3 1177 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,0,0,1,0,0|1,0,1]=3 1178 B9R1.85 CC(=O)COCC1CO1 34a_100000211253_102125554688 [0,0,0,1,0,0|2,0,1]=4 1179 B9R1.85 CC(=O)NCCC1CC1 1626a_100000764129_100015343762 [0,0,0,1,0,0|3,0,0]=4 1180 B9R1.85 CC(=O)NCCC1CC1 240690a_100000764129_100015343762 [0,0,0,1,0,0|3,0,0]=4 1181 B9R1.85 CC(=O)NCCC1CC1 527a_100000764129_100103153847 [0,0,0,1,0,0|3,0,0]=4 1182 B9R1.85 CC(Br)CCOC1CC1 34a_100009893172_100000211595 [0,0,0,1,0,0|2,0,1]=4 1183 B9R1.85 CC(C)CCNC1CC1 34a_100000212008_100000210312 [0,0,0,1,0,0|2,0,1]=4 1184 B9R1.85 CC(C)CCOC1CC1 34a_100000210254_100000211595 [0,0,0,1,0,0|2,0,1]=4 1185 B9R1.85 CC(C)CCSC1CC1 62a_100000210312_100000211595 [0,0,0,1,0,0|2,0,1]=4 1186 B9R1.85 CC(C)CNCC1CO1 2230a_100000210953_100011216344 [0,0,0,1,0,0|1,0,2]=4 1187 B9R1.85 CC(C)CNCC1CO1 34a_100000210953_102125554688 [0,0,0,1,0,0|1,0,2]=4 1188 B9R1.85 CC(C)COCC1CO1 34a_100000210257_102125554688 [0,0,0,1,0,0|1,0,2]=4 1189 B9R1.85 CC(C)COC[C@@H]1CO1 34a_100000757423_100000210624 [0,0,0,1,0,0|1,0,2]=4 1190 B9R1.85 CC(C)CSCC1CO1 62a_100000210624_102125554688 [0,0,0,1,0,0|1,0,2]=4 1191 B9R1.85 CC(C)CSCC1CO1 62a_102125554688_100000210760 [0,0,0,1,0,0|1,0,2]=4 1192 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000210624_100000745022 [0,0,0,1,0,0|1,0,2]=4 1193 B9R1.85 CC(C)CSC[C@@H]1CO1 62a_100000745022_100000210760 [0,0,0,1,0,0|1,0,2]=4 1194 B9R1.85 CC(C)NCCC1CC1 2230a_100138425928_100000694398 [0,0,0,1,0,0|2,0,1]=4 1195 B9R1.85 CC(C)NCCC1CC1 34a_100000764129_100000210206 [0,0,0,1,0,0|2,0,1]=4 1196 B9R1.85 CC(C)NCCC1CC1 34a_100138425928_100000694398 [0,0,0,1,0,0|2,0,1]=4 1197 B9R1.85 CC(C)NCCC1CO1 2230a_100138425928_100000732470 [0,0,0,1,0,0|1,0,1]=3 1198 B9R1.85 CC(C)NCCC1CO1 34a_100138425928_100000732470 [0,0,0,1,0,0|1,0,1]=3 1199 B9R1.85 CC(C)OCCC1CC1 34a_100000212225_100000694398 [0,0,0,1,0,0|2,0,1]=4 1200 B9R1.85 CC(C)OCCC1CC1 34a_100000754188_100000210206 [0,0,0,1,0,0|2,0,1]=4 1201 B9R1.85 CC(C)OCCC1CC1 7a_100000754188_100000210206 [0,0,0,1,0,0|2,0,1]=4 1202 B9R1.85 CC(C)OCCC1CO1 34a_100000212225_100000732470 [0,0,0,1,0,0|1,0,1]=3 1203 B9R1.85 CC(C)OCC[C@@H]1CO1 34a_100009820653_100000210206 [0,0,0,1,0,0|1,0,1]=3 1204 B9R1.85 CC(C)SCCC1CC1 62a_100000210206_100000764125 [0,0,0,1,0,0|2,0,1]=4 1205 B9R1.85 CC(C)SCCC1CC1 62a_100000764125_100000210206 [0,0,0,1,0,0|2,0,1]=4 1206 B9R1.85 CC(C)SCCC1CO1 62a_100000210206_100000732470 [0,0,0,1,0,0|1,0,1]=3 1207 B9R1.85 CC(C)SCCC1CO1 62a_100000732470_100000210206 [0,0,0,1,0,0|1,0,1]=3 1208 B9R1.85 CC(O)CCNC1CC1 34a_100000212008_100012276601 [0,0,0,1,0,0|1,0,1]=3 1209 B9R1.85 CC(O)CCSC1CC1 62a_100012276601_100000211595 [0,0,0,1,0,0|1,0,1]=3 1210 B9R1.85 CC(O)CNCC1CC1 2230a_100000210904_100000742324 [0,0,0,1,0,0|1,0,2]=4 1211 B9R1.85 CC(O)CNCC1CC1 2230a_100000735609_100011218427 [0,0,0,1,0,0|1,0,2]=4 1212 B9R1.85 CC(O)CNCC1CC1 269862a_100000210904_100000741477 [0,0,0,1,0,0|1,0,2]=4 1213 B9R1.85 CC(O)CNCC1CC1 34a_100000210904_100000742324 [0,0,0,1,0,0|1,0,2]=4 1214 B9R1.85 CC(O)CNCC1CC1 34a_100000735609_100011218427 [0,0,0,1,0,0|1,0,2]=4 1215 B9R1.85 CC(O)COCC1CC1 34a_100000211283_100011218427 [0,0,0,1,0,0|1,0,2]=4 1216 B9R1.85 CC(O)CSCC1CC1 62a_100000756562_100011218427 [0,0,0,1,0,0|1,0,2]=4 1217 B9R1.85 CC(O)CSCC1CC1 62a_100011218427_100000742324 [0,0,0,1,0,0|1,0,2]=4 1218 B9R1.85 CN(C)CCCC1CO1 2230a_100102631434_100000733510 [0,0,0,1,0,0|1,0,1]=3 1219 B9R1.85 CN(C)CCCC1CO1 269982a_100102631434_100000733510 [0,0,0,1,0,0|1,0,1]=3 1220 B9R1.85 C[C@@H](N)CCOC1CC1 34a_100000706166_100000211595 [0,0,0,1,0,0|2,0,1]=4 1221 B9R1.85 C[C@@H](O)CNCC1CC1 2230a_100000735609_100009817552 [0,0,0,1,0,0|1,0,2]=4 1222 B9R1.85 C[C@@H](O)CNCC1CC1 34a_100000735609_100009817552 [0,0,0,1,0,0|1,0,2]=4 1223 B9R1.85 C[C@@H](O)COCC1CC1 34a_100000211283_100009817552 [0,0,0,1,0,0|1,0,2]=4 1224 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100000756562_100009817552 [0,0,0,1,0,0|1,0,2]=4 1225 B9R1.85 C[C@@H](O)CSCC1CC1 62a_100009817552_100000742324 [0,0,0,1,0,0|1,0,2]=4 1226 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,0,0,0,1,0|0,0,3]=4 1227 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,0,0,0,1,0|0,0,3]=4 1228 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,0,0,0,1,0|0,0,3]=4 1229 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,0,0,0,1,0|2,0,1]=4 1230 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,0,0,0,1,0|2,0,1]=4 1231 B7R0.6 C=C(C)CNC(C)C 2230a_100138425928_100000748629 [0,0,0,0,1,0|2,0,1]=4 1232 B7R0.6 C=C(C)CNC(C)C 34a_100138425928_100000748629 [0,0,0,0,1,0|2,0,1]=4 1233 B7R0.6 C=C(C)COC(C)C 34a_100000210245_100000210206 [0,0,0,0,1,0|2,0,1]=4 1234 B7R0.6 C=C(C)COC(C)C 34a_100000212225_100000748629 [0,0,0,0,1,0|2,0,1]=4 1235 B7R0.6 C=C(C)CSC(C)C 62a_100000210206_100000211660 [0,0,0,0,1,0|2,0,1]=4 1236 B7R0.6 C=C(C)CSC(C)C 62a_100000748629_100000210206 [0,0,0,0,1,0|2,0,1]=4 1237 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,0,0,1,0|0,0,2]=3 1238 B7R0.6 CC(=CCN(C)C)C 2230a_100102631434_100000761012 [0,0,0,0,1,0|2,0,0]=3 1239 B7R0.6 CC(=CCN(C)C)C 269982a_100102631434_100000761012 [0,0,0,0,1,0|2,0,0]=3 1240 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [0,0,0,0,1,0|2,0,1]=4 1241 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,0,0,1,0|0,0,2]=3 1242 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,0,0,1,0|0,0,2]=3 1243 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,0,0,1,0|2,0,0]=3 1244 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,0,0,1,0|2,0,0]=3 1245 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,0,0,0,1,0|1,0,0]=2 1246 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,0,0,0,1,0|1,0,2]=4 1247 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,0,0,0,1,0|1,0,2]=4 1248 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,0,0,1,0|3,0,0]=4 1249 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,0,0,1,0|3,0,0]=4 1250 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,0,0,1,0|3,0,0]=4 1251 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,1,0|3,0,0]=4 1252 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,1,0|3,0,0]=4 1253 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,1,0|3,0,0]=4 1254 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,1,0|3,0,0]=4 1255 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,0,0,1,0|2,0,0]=3 1256 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,0,0,1,0|2,0,0]=3 1257 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,0,0,1,0|2,0,0]=3 1258 B7R0.6 CC(Br)COC(C)C 34a_100012180447_100000210206 [0,0,0,0,1,0|2,0,1]=4 1259 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [0,0,0,0,1,0|2,0,1]=4 1260 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,0,0,1,0|2,0,0]=3 1261 B7R0.6 CC(C)CCN(C)C 2230a_100000742789_200000210301 [0,0,0,0,1,0|2,0,0]=3 1262 B7R0.6 CC(C)CCN(C)C 2230a_100102631434_100000210312 [0,0,0,0,1,0|2,0,0]=3 1263 B7R0.6 CC(C)CCN(C)C 269982a_100000742789_200000210301 [0,0,0,0,1,0|2,0,0]=3 1264 B7R0.6 CC(C)CCN(C)C 269982a_100102631434_100000210312 [0,0,0,0,1,0|2,0,0]=3 1265 B7R0.6 CC(C)CCN(C)[13CH3] 2230a_100000742789_200025704644 [0,0,0,0,1,0|2,0,0]=3 1266 B7R0.6 CC(C)CCN(C)[13CH3] 269982a_100000742789_200025704644 [0,0,0,0,1,0|2,0,0]=3 1267 B7R0.6 CC(C)CNC(C)C 2230a_100000210953_100000210206 [0,0,0,0,1,0|2,0,1]=4 1268 B7R0.6 CC(C)CNC(C)C 2230a_100138425928_100000210760 [0,0,0,0,1,0|2,0,1]=4 1269 B7R0.6 CC(C)CNC(C)C 34a_100000210953_100000210206 [0,0,0,0,1,0|2,0,1]=4 1270 B7R0.6 CC(C)CNC(C)C 34a_100138425928_100000210624 [0,0,0,0,1,0|2,0,1]=4 1271 B7R0.6 CC(C)COC(C)C 34a_100000210257_100000210206 [0,0,0,0,1,0|2,0,1]=4 1272 B7R0.6 CC(C)COC(C)C 34a_100000212225_100000210624 [0,0,0,0,1,0|2,0,1]=4 1273 B7R0.6 CC(C)CSC(C)C 62a_100000210206_100000210760 [0,0,0,0,1,0|2,0,1]=4 1274 B7R0.6 CC(C)CSC(C)C 62a_100000210624_100000210206 [0,0,0,0,1,0|2,0,1]=4 1275 B7R0.6 CC(C)NC[C@@H](C)O 2230a_100138425928_100009817552 [0,0,0,0,1,0|1,0,1]=3 1276 B7R0.6 CC(C)NC[C@@H](C)O 34a_100138425928_100009817552 [0,0,0,0,1,0|1,0,1]=3 1277 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,0,0,1,0|3,0,0]=4 1278 B7R0.6 CC(C)OCN(C)C 2230a_100102631434_100000709892 [0,0,0,0,1,0|3,0,0]=4 1279 B7R0.6 CC(C)OCN(C)C 269982a_100102631434_100000709892 [0,0,0,0,1,0|3,0,0]=4 1280 B7R0.6 CC(C)OC[C@@H](C)Cl 34a_100016084084_100000210206 [0,0,0,0,1,0|2,0,1]=4 1281 B7R0.6 CC(C)OC[C@@H](C)N 34a_100000737577_100000210206 [0,0,0,0,1,0|2,0,1]=4 1282 B7R0.6 CC(C)OC[C@@H](C)O 34a_100000212225_100009817552 [0,0,0,0,1,0|1,0,1]=3 1283 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,0,0,1,0|3,0,0]=4 1284 B7R0.6 CC(C)SC[C@@H](C)O 62a_100000210206_100009817552 [0,0,0,0,1,0|1,0,1]=3 1285 B7R0.6 CC(C)SC[C@@H](C)O 62a_100009817552_100000210206 [0,0,0,0,1,0|1,0,1]=3 1286 B7R0.6 CC(F)COC(C)C 34a_100015925927_100000210206 [0,0,0,0,1,0|2,0,1]=4 1287 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,0,0,0,1,0|1,0,0]=2 1288 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,0,0,0,1,0|1,0,0]=2 1289 B7R0.6 CC(O)CNC(C)C 2230a_100000210904_100000210206 [0,0,0,0,1,0|1,0,1]=3 1290 B7R0.6 CC(O)CNC(C)C 2230a_100138425928_100011218427 [0,0,0,0,1,0|1,0,1]=3 1291 B7R0.6 CC(O)CNC(C)C 34a_100000210904_100000210206 [0,0,0,0,1,0|1,0,1]=3 1292 B7R0.6 CC(O)CNC(C)C 34a_100138425928_100011218427 [0,0,0,0,1,0|1,0,1]=3 1293 B7R0.6 CC(O)COC(C)C 34a_100000212225_100011218427 [0,0,0,0,1,0|1,0,1]=3 1294 B7R0.6 CC(O)CSC(C)C 62a_100000210206_100011218427 [0,0,0,0,1,0|1,0,1]=3 1295 B7R0.6 CC(O)CSC(C)C 62a_100011218427_100000210206 [0,0,0,0,1,0|1,0,1]=3 1296 B7R0.6 CN(C)CCN(C)C 269982a_100000225618_200000210301 [0,0,0,0,1,0|3,0,0]=4 1297 B7R0.6 CN(C)CCN(C)C 269982a_100102631434_100000755713 [0,0,0,0,1,0|3,0,0]=4 1298 B7R0.6 CN(C)CCN(C)[13CH3] 269982a_100000225618_200025704644 [0,0,0,0,1,0|3,0,0]=4 1299 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,0,0,0,1,0|1,0,2]=4 1300 B9R0.55 C=C(Br)CCOCC(C)O 34a_100009813270_100011218427 [0,0,0,0,0,1|1,0,2]=4 1301 B9R0.55 C=C(Br)CCOC[C@@H](C)O 34a_100009813270_100009817552 [0,0,0,0,0,1|1,0,2]=4 1302 B9R0.55 C=C(C)C=NNCC(C)O 4a_200000730056_100000210575 [0,0,0,0,0,1|1,0,1]=3 1303 B9R0.55 C=C(C)CCNCC(C)C 2230a_100000210953_100000730704 [0,0,0,0,0,1|1,0,2]=4 1304 B9R0.55 C=C(C)CCNCC(C)C 34a_100000210953_100000730704 [0,0,0,0,0,1|1,0,2]=4 1305 B9R0.55 C=C(C)CCNCC(C)O 2230a_100000210904_100000730704 [0,0,0,0,0,1|0,0,2]=3 1306 B9R0.55 C=C(C)CCNCC(C)O 34a_100000210904_100000730704 [0,0,0,0,0,1|0,0,2]=3 1307 B9R0.55 C=C(C)CCOCC(C)Br 34a_100012180447_100000730704 [0,0,0,0,0,1|1,0,2]=4 1308 B9R0.55 C=C(C)CCOCC(C)C 34a_100000210257_100000730704 [0,0,0,0,0,1|1,0,2]=4 1309 B9R0.55 C=C(C)CCOCC(C)C 34a_100000764851_100000210624 [0,0,0,0,0,1|1,0,2]=4 1310 B9R0.55 C=C(C)CCOCC(C)F 34a_100015925927_100000730704 [0,0,0,0,0,1|1,0,2]=4 1311 B9R0.55 C=C(C)CCOCC(C)O 34a_100000764851_100011218427 [0,0,0,0,0,1|0,0,2]=3 1312 B9R0.55 C=C(C)CCOC[C@@H](C)Cl 34a_100016084084_100000730704 [0,0,0,0,0,1|1,0,2]=4 1313 B9R0.55 C=C(C)CCOC[C@@H](C)N 34a_100000737577_100000730704 [0,0,0,0,0,1|1,0,2]=4 1314 B9R0.55 C=C(C)CCOC[C@@H](C)O 34a_100000764851_100009817552 [0,0,0,0,0,1|0,0,2]=3 1315 B9R0.55 C=C(C)CCSCC(C)C 62a_100000210624_100000730704 [0,0,0,0,0,1|1,0,2]=4 1316 B9R0.55 C=C(C)CCSCC(C)C 62a_100000730704_100000210760 [0,0,0,0,0,1|1,0,2]=4 1317 B9R0.55 C=C(C)CCSCC(C)O 62a_100000730704_100011218427 [0,0,0,0,0,1|0,0,2]=3 1318 B9R0.55 C=C(C)CCSCC(C)O 62a_100011218427_100000730704 [0,0,0,0,0,1|0,0,2]=3 1319 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100000730704_100009817552 [0,0,0,0,0,1|0,0,2]=3 1320 B9R0.55 C=C(C)CCSC[C@@H](C)O 62a_100009817552_100000730704 [0,0,0,0,0,1|0,0,2]=3 1321 B9R0.55 C=C(C)CNCC=C(C)C 34a_100000718196_100000748629 [0,0,0,0,0,1|1,0,1]=3 1322 B9R0.55 C=C(C)CNCCC(C)O 2230a_200000755665_100000748629 [0,0,0,0,0,1|0,0,2]=3 1323 B9R0.55 C=C(C)COCC=C(C)C 34a_100000210245_100000761012 [0,0,0,0,0,1|1,0,1]=3 1324 B9R0.55 C=C(C)COCC=C(C)C 34a_100000753907_100000748629 [0,0,0,0,0,1|1,0,1]=3 1325 B9R0.55 C=C(C)COCCC(C)Br 34a_100009893172_100000748629 [0,0,0,0,0,1|1,0,2]=4 1326 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [0,0,0,0,0,1|1,0,2]=4 1327 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [0,0,0,0,0,1|1,0,2]=4 1328 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [0,0,0,0,0,1|1,0,2]=4 1329 B9R0.55 C=C(C)COCCC(C)O 34a_100000210245_100012276601 [0,0,0,0,0,1|0,0,2]=3 1330 B9R0.55 C=C(C)COCC[C@@H](C)N 34a_100000706166_100000748629 [0,0,0,0,0,1|1,0,2]=4 1331 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000748629_100000761012 [0,0,0,0,0,1|1,0,1]=3 1332 B9R0.55 C=C(C)CSCC=C(C)C 62a_100000761012_100000211660 [0,0,0,0,0,1|1,0,1]=3 1333 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [0,0,0,0,0,1|1,0,2]=4 1334 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [0,0,0,0,0,1|1,0,2]=4 1335 B9R0.55 C=C(C)CSCCC(C)O 62a_100000748629_100012276601 [0,0,0,0,0,1|0,0,2]=3 1336 B9R0.55 C=C(C)CSCCC(C)O 62a_100012276601_100000211660 [0,0,0,0,0,1|0,0,2]=3 1337 B9R0.55 C=C(F)CNCC=C(C)C 34a_100000718196_100009893438 [0,0,0,0,0,1|1,0,2]=4 1338 B9R0.55 C=C(F)CNCCC(C)O 2230a_200000755665_100009893438 [0,0,0,0,0,1|1,0,2]=4 1339 B9R0.55 C=C(F)COCC=C(C)C 34a_100000753907_100009893438 [0,0,0,0,0,1|1,0,2]=4 1340 B9R0.55 C=C(F)COCC=C(C)C 34a_200010262243_100000761012 [0,0,0,0,0,1|1,0,2]=4 1341 B9R0.55 C=C(F)COCCC(C)O 34a_200010262243_100012276601 [0,0,0,0,0,1|1,0,2]=4 1342 B9R0.55 C=C(F)CSCC=C(C)C 62a_100000042424_100000761012 [0,0,0,0,0,1|1,0,2]=4 1343 B9R0.55 C=C(F)CSCC=C(C)C 62a_100000761012_100000042424 [0,0,0,0,0,1|1,0,2]=4 1344 B9R0.55 C=C(F)CSCCC(C)O 62a_100000042424_100012276601 [0,0,0,0,0,1|1,0,2]=4 1345 B9R0.55 C=C(F)CSCCC(C)O 62a_100012276601_100000042424 [0,0,0,0,0,1|1,0,2]=4 1346 B9R0.55 CC(=CC=NNC(C)C)C 4a_100000741168_100011215525 [0,0,0,0,0,1|2,0,1]=4 1347 B9R0.55 CC(=CCCNC(C)C)C 2230a_100138425928_100011217483 [0,0,0,0,0,1|1,0,0]=2 1348 B9R0.55 CC(=CCCNC(C)C)C 34a_100138425928_100011217483 [0,0,0,0,0,1|1,0,0]=2 1349 B9R0.55 CC(=CCCOC(C)C)C 34a_100000212225_100011217483 [0,0,0,0,0,1|1,0,0]=2 1350 B9R0.55 CC(=CCCSC(C)C)C 62a_100000210206_100011217483 [0,0,0,0,0,1|1,0,0]=2 1351 B9R0.55 CC(=CCCSC(C)C)C 62a_100011217483_100000210206 [0,0,0,0,0,1|1,0,0]=2 1352 B9R0.55 CC(=CCNCC(=O)N)C 2230a_100000711301_100000761012 [0,0,0,0,0,1|1,0,2]=4 1353 B9R0.55 CC(=CCNCC(=O)N)C 34a_100000718196_100000187820 [0,0,0,0,0,1|1,0,2]=4 1354 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [0,0,0,0,0,1|1,0,1]=3 1355 B9R0.55 CC(=CCNCC(=O)[O-])C 34a_100000718196_100020667443 [0,0,0,0,0,1|1,0,2]=4 1356 B9R0.55 CC(=CCNCC(C)C)C 2230a_100000210953_100000761012 [0,0,0,0,0,1|1,0,0]=2 1357 B9R0.55 CC(=CCNCC(C)C)C 270004a_100000718196_100000210432 [0,0,0,0,0,1|1,0,0]=2 1358 B9R0.55 CC(=CCNCC(C)C)C 34a_100000210953_100000761012 [0,0,0,0,0,1|1,0,0]=2 1359 B9R0.55 CC(=CCNCC(C)C)C 34a_100000718196_100000210624 [0,0,0,0,0,1|1,0,0]=2 1360 B9R0.55 CC(=CCNCC(C)O)C 2230a_100000210904_100000761012 [0,0,0,0,0,1|0,0,0]=1 1361 B9R0.55 CC(=CCNCC(C)O)C 34a_100000210904_100000761012 [0,0,0,0,0,1|0,0,0]=1 1362 B9R0.55 CC(=CCNCC(C)O)C 34a_100000718196_100011218427 [0,0,0,0,0,1|0,0,0]=1 1363 B9R0.55 CC(=CCNCC(F)F)C 34a_100000718196_100011934356 [0,0,0,0,0,1|2,0,0]=3 1364 B9R0.55 CC(=CCNCC(F)F)C 34a_100000765723_100000761012 [0,0,0,0,0,1|2,0,0]=3 1365 B9R0.55 CC(=CCNC[C@@H](C)O)C 34a_100000718196_100009817552 [0,0,0,0,0,1|0,0,0]=1 1366 B9R0.55 CC(=CCNC[N+](=O)[O-])C 34a_100000718196_100000761209 [0,0,0,0,0,1|2,0,1]=4 1367 B9R0.55 CC(=CCOCC(=O)N)C 34a_100000753907_100000187820 [0,0,0,0,0,1|1,0,2]=4 1368 B9R0.55 CC(=CCOCC(=O)[O-])C 34a_100000753907_100020667443 [0,0,0,0,0,1|1,0,2]=4 1369 B9R0.55 CC(=CCOCC(C)Br)C 34a_100012180447_100000761012 [0,0,0,0,0,1|1,0,0]=2 1370 B9R0.55 CC(=CCOCC(C)C)C 34a_100000210257_100000761012 [0,0,0,0,0,1|1,0,0]=2 1371 B9R0.55 CC(=CCOCC(C)C)C 34a_100000753907_100000210624 [0,0,0,0,0,1|1,0,0]=2 1372 B9R0.55 CC(=CCOCC(C)F)C 34a_100015925927_100000761012 [0,0,0,0,0,1|1,0,0]=2 1373 B9R0.55 CC(=CCOCC(C)O)C 34a_100000753907_100011218427 [0,0,0,0,0,1|0,0,0]=1 1374 B9R0.55 CC(=CCOCC(F)F)C 34a_100000743014_100000761012 [0,0,0,0,0,1|2,0,0]=3 1375 B9R0.55 CC(=CCOCC(F)F)C 34a_100000753907_100011934356 [0,0,0,0,0,1|2,0,0]=3 1376 B9R0.55 CC(=CCOC[C@@H](C)Cl)C 34a_100016084084_100000761012 [0,0,0,0,0,1|1,0,0]=2 1377 B9R0.55 CC(=CCOC[C@@H](C)N)C 34a_100000737577_100000761012 [0,0,0,0,0,1|1,0,0]=2 1378 B9R0.55 CC(=CCOC[C@@H](C)O)C 34a_100000753907_100009817552 [0,0,0,0,0,1|0,0,0]=1 1379 B9R0.55 CC(=CCOC[N+](=O)[O-])C 34a_100000753907_100000761209 [0,0,0,0,0,1|2,0,1]=4 1380 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000747473_100000761012 [0,0,0,0,0,1|1,0,2]=4 1381 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000761012_100000747473 [0,0,0,0,0,1|1,0,2]=4 1382 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100000761012_100020667443 [0,0,0,0,0,1|1,0,2]=4 1383 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100020667443_100000761012 [0,0,0,0,0,1|1,0,2]=4 1384 B9R0.55 CC(=CCSCC(C)C)C 62a_100000210624_100000761012 [0,0,0,0,0,1|1,0,0]=2 1385 B9R0.55 CC(=CCSCC(C)C)C 62a_100000761012_100000210760 [0,0,0,0,0,1|1,0,0]=2 1386 B9R0.55 CC(=CCSCC(C)O)C 62a_100000761012_100011218427 [0,0,0,0,0,1|0,0,0]=1 1387 B9R0.55 CC(=CCSCC(C)O)C 62a_100011218427_100000761012 [0,0,0,0,0,1|0,0,0]=1 1388 B9R0.55 CC(=CCSCC(F)F)C 62a_100000761012_100011934356 [0,0,0,0,0,1|2,0,0]=3 1389 B9R0.55 CC(=CCSCC(F)F)C 62a_100011934356_100000761012 [0,0,0,0,0,1|2,0,0]=3 1390 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100000761012_100009817552 [0,0,0,0,0,1|0,0,0]=1 1391 B9R0.55 CC(=CCSC[C@@H](C)O)C 62a_100009817552_100000761012 [0,0,0,0,0,1|0,0,0]=1 1392 B9R0.55 CC(=CCSC[N+](=O)[O-])C 62a_100000761012_100000761209 [0,0,0,0,0,1|2,0,1]=4 1393 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,0,0,0,0,1|2,0,1]=4 1394 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,0,0,0,0,1|2,0,1]=4 1395 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,0,0,0,0,1|2,0,1]=4 1396 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,0,0,0,0,1|2,0,1]=4 1397 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,0,0,0,0,1|2,0,1]=4 1398 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,0,0,0,0,1|2,0,1]=4 1399 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,0,0,0,0,1|2,0,1]=4 1400 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,0,0,0,0,1|2,0,1]=4 1401 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,0,0,0,0,1|2,0,1]=4 1402 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,0,0,0,0,1|2,0,1]=4 1403 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,0,0,0,0,1|1,0,1]=3 1404 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,0,0,0,0,1|1,0,1]=3 1405 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,0,0,0,0,1|1,0,1]=3 1406 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,0,0,0,0,1|1,0,1]=3 1407 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,0,0,0,0,1|2,0,1]=4 1408 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,0,0,0,0,1|2,0,1]=4 1409 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,0,0,0,0,1|1,0,1]=3 1410 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,0,0,0,0,1|1,0,1]=3 1411 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,0,0,0,0,1|1,0,1]=3 1412 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,0,0,0,0,1|1,0,1]=3 1413 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [0,0,0,0,0,1|0,0,2]=3 1414 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,0,0,0,0,1|2,0,1]=4 1415 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,0,0,0,0,1|1,0,1]=3 1416 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,0,0,0,0,1|2,0,1]=4 1417 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,0,0,0,0,1|2,0,1]=4 1418 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,0,0,0,0,1|2,0,1]=4 1419 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,0,0,0,0,1|2,0,1]=4 1420 B9R0.55 CC(=O)NCCNC(C)C 2230a_100000209853_100000210206 [0,0,0,0,0,1|3,0,0]=4 1421 B9R0.55 CC(=O)NCCNC(C)C 2230a_100138425928_100000189650 [0,0,0,0,0,1|3,0,0]=4 1422 B9R0.55 CC(=O)NCCOC(C)C 11a_100000701111_100015343762 [0,0,0,0,0,1|3,0,0]=4 1423 B9R0.55 CC(=O)NCCOC(C)C 1626a_100000701111_100015343762 [0,0,0,0,0,1|3,0,0]=4 1424 B9R0.55 CC(=O)NCCOC(C)C 240690a_100000701111_100015343762 [0,0,0,0,0,1|3,0,0]=4 1425 B9R0.55 CC(=O)NCCOC(C)C 34a_100000158858_100000210206 [0,0,0,0,0,1|3,0,0]=4 1426 B9R0.55 CC(=O)NCCOC(C)C 527a_100000701111_100103153847 [0,0,0,0,0,1|3,0,0]=4 1427 B9R0.55 CC(=O)NCCSC(C)C 11a_100000731138_100015343762 [0,0,0,0,0,1|3,0,0]=4 1428 B9R0.55 CC(=O)NCCSC(C)C 1626a_100000731138_100015343762 [0,0,0,0,0,1|3,0,0]=4 1429 B9R0.55 CC(=O)NCCSC(C)C 240690a_100000731138_100015343762 [0,0,0,0,0,1|3,0,0]=4 1430 B9R0.55 CC(=O)NCCSC(C)C 527a_100000731138_100103153847 [0,0,0,0,0,1|3,0,0]=4 1431 B9R0.55 CC(=O)NCCSC(C)C 62a_100000189650_100000210206 [0,0,0,0,0,1|3,0,0]=4 1432 B9R0.55 CC(=O)NCCSC(C)C 62a_100000210206_100000189650 [0,0,0,0,0,1|3,0,0]=4 1433 B9R0.55 CC(=O)OCCNC(C)C 34a_100138425928_100009814007 [0,0,0,0,0,1|3,0,0]=4 1434 B9R0.55 CC(=O)OCCOC(C)C 34a_100000212225_100009814007 [0,0,0,0,0,1|3,0,0]=4 1435 B9R0.55 CC(=O)OCCSC(C)C 62a_100000210206_100009814007 [0,0,0,0,0,1|3,0,0]=4 1436 B9R0.55 CC(=O)OCCSC(C)C 62a_100009814007_100000210206 [0,0,0,0,0,1|3,0,0]=4 1437 B9R0.55 CC(=O)OCNCC(C)C 34a_100000210953_100009813279 [0,0,0,0,0,1|3,0,0]=4 1438 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,0,0,0,0,1|2,0,0]=3 1439 B9R0.55 CC(=O)OCOCC(C)Br 34a_100012180447_100009813279 [0,0,0,0,0,1|3,0,0]=4 1440 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [0,0,0,0,0,1|3,0,0]=4 1441 B9R0.55 CC(=O)OCOCC(C)F 34a_100015925927_100009813279 [0,0,0,0,0,1|3,0,0]=4 1442 B9R0.55 CC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100009813279 [0,0,0,0,0,1|3,0,0]=4 1443 B9R0.55 CC(=O)OCOC[C@@H](C)N 34a_100000737577_100009813279 [0,0,0,0,0,1|3,0,0]=4 1444 B9R0.55 CC(=O)OCSCC(C)C 62a_100000076356_100000210760 [0,0,0,0,0,1|3,0,0]=4 1445 B9R0.55 CC(=O)OCSCC(C)C 62a_100000210624_100000076356 [0,0,0,0,0,1|3,0,0]=4 1446 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [0,0,0,0,0,1|2,0,0]=3 1447 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [0,0,0,0,0,1|2,0,0]=3 1448 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [0,0,0,0,0,1|2,0,0]=3 1449 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [0,0,0,0,0,1|2,0,0]=3 1450 B9R0.55 CC(Br)CCOC[C@@H](C)O 34a_100009893172_100009817552 [0,0,0,0,0,1|1,0,2]=4 1451 B9R0.55 CC(Br)COCOC(C)C 34a_100012180447_100000709892 [0,0,0,0,0,1|2,0,1]=4 1452 B9R0.55 CC(C)C=NNCC(C)O 4a_200000730056_100000210432 [0,0,0,0,0,1|1,0,1]=3 1453 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,0,0,0,0,1|2,0,1]=4 1454 B9R0.55 CC(C)CCCCN(C)C 2230a_100102631434_100011216152 [0,0,0,0,0,1|2,0,1]=4 1455 B9R0.55 CC(C)CCCCN(C)C 269982a_100102631434_100011216152 [0,0,0,0,0,1|2,0,1]=4 1456 B9R0.55 CC(C)CCCNC(C)C 2230a_100138425928_100011214892 [0,0,0,0,0,1|1,0,2]=4 1457 B9R0.55 CC(C)CCCNC(C)C 2230a_200000737386_100000210206 [0,0,0,0,0,1|1,0,2]=4 1458 B9R0.55 CC(C)CCCNC(C)C 34a_100138425928_100011214892 [0,0,0,0,0,1|1,0,2]=4 1459 B9R0.55 CC(C)CCCNC(C)C 34a_200000737386_100000210206 [0,0,0,0,0,1|1,0,2]=4 1460 B9R0.55 CC(C)CCCOC(C)C 34a_100000210774_100000210206 [0,0,0,0,0,1|1,0,2]=4 1461 B9R0.55 CC(C)CCCOC(C)C 34a_100000212225_100011214892 [0,0,0,0,0,1|1,0,2]=4 1462 B9R0.55 CC(C)CCCOC(C)C 7a_100000210774_100000210206 [0,0,0,0,0,1|1,0,2]=4 1463 B9R0.55 CC(C)CCCSC(C)C 62a_100000210206_100011214892 [0,0,0,0,0,1|1,0,2]=4 1464 B9R0.55 CC(C)CCCSC(C)C 62a_100011214892_100000210206 [0,0,0,0,0,1|1,0,2]=4 1465 B9R0.55 CC(C)CCNCC(C)C 2230a_100000210953_100000210312 [0,0,0,0,0,1|1,0,2]=4 1466 B9R0.55 CC(C)CCNCC(C)C 269862a_100000210953_100000185833 [0,0,0,0,0,1|1,0,2]=4 1467 B9R0.55 CC(C)CCNCC(C)C 270004a_100000210545_100000210432 [0,0,0,0,0,1|1,0,2]=4 1468 B9R0.55 CC(C)CCNCC(C)C 34a_100000210953_100000210312 [0,0,0,0,0,1|1,0,2]=4 1469 B9R0.55 CC(C)CCNCC(C)O 2230a_100000210904_100000210312 [0,0,0,0,0,1|0,0,2]=3 1470 B9R0.55 CC(C)CCNCC(C)O 269862a_100000210904_100000185833 [0,0,0,0,0,1|0,0,2]=3 1471 B9R0.55 CC(C)CCNCC(C)O 34a_100000210904_100000210312 [0,0,0,0,0,1|0,0,2]=3 1472 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [0,0,0,0,0,1|1,0,2]=4 1473 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [0,0,0,0,0,1|1,0,2]=4 1474 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [0,0,0,0,0,1|1,0,2]=4 1475 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [0,0,0,0,0,1|1,0,2]=4 1476 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [0,0,0,0,0,1|1,0,2]=4 1477 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [0,0,0,0,0,1|0,0,2]=3 1478 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [0,0,0,0,0,1|0,0,2]=3 1479 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [0,0,0,0,0,1|1,0,2]=4 1480 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [0,0,0,0,0,1|1,0,2]=4 1481 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [0,0,0,0,0,1|0,0,2]=3 1482 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [0,0,0,0,0,1|0,0,2]=3 1483 B9R0.55 CC(C)CCSCC(C)C 62a_100000210312_100000210760 [0,0,0,0,0,1|1,0,2]=4 1484 B9R0.55 CC(C)CCSCC(C)C 62a_100000210624_100000210312 [0,0,0,0,0,1|1,0,2]=4 1485 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [0,0,0,0,0,1|0,0,2]=3 1486 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [0,0,0,0,0,1|0,0,2]=3 1487 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [0,0,0,0,0,1|0,0,2]=3 1488 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [0,0,0,0,0,1|0,0,2]=3 1489 B9R0.55 CC(C)CNCCC(C)O 2230a_100000210953_100012276601 [0,0,0,0,0,1|0,0,2]=3 1490 B9R0.55 CC(C)CNCCC(C)O 2230a_200000755665_100000210760 [0,0,0,0,0,1|0,0,2]=3 1491 B9R0.55 CC(C)CNCCC(C)O 270004a_200000755665_100000210432 [0,0,0,0,0,1|0,0,2]=3 1492 B9R0.55 CC(C)CNCCC(C)O 34a_100000210953_100012276601 [0,0,0,0,0,1|0,0,2]=3 1493 B9R0.55 CC(C)CNCCN(C)C 270004a_100000210585_100000210432 [0,0,0,0,0,1|2,0,1]=4 1494 B9R0.55 CC(C)CNCOC(C)C 2230a_100000210953_100000709892 [0,0,0,0,0,1|2,0,1]=4 1495 B9R0.55 CC(C)CNCOC(C)C 34a_100000210953_100000709892 [0,0,0,0,0,1|2,0,1]=4 1496 B9R0.55 CC(C)COCCC(C)Br 34a_100009893172_100000210624 [0,0,0,0,0,1|1,0,2]=4 1497 B9R0.55 CC(C)COCCC(C)O 34a_100000210257_100012276601 [0,0,0,0,0,1|0,0,2]=3 1498 B9R0.55 CC(C)COCC[C@@H](C)N 34a_100000706166_100000210624 [0,0,0,0,0,1|1,0,2]=4 1499 B9R0.55 CC(C)COCOC(C)C 34a_100000210257_100000709892 [0,0,0,0,0,1|2,0,1]=4 1500 B9R0.55 CC(C)CSCCC(C)O 62a_100000210624_100012276601 [0,0,0,0,0,1|0,0,2]=3 1501 B9R0.55 CC(C)CSCCC(C)O 62a_100012276601_100000210760 [0,0,0,0,0,1|0,0,2]=3 1502 B9R0.55 CC(C)CSCCN(C)C 62a_100000210624_100000755713 [0,0,0,0,0,1|2,0,1]=4 1503 B9R0.55 CC(C)CSCOC(C)C 62a_100000210624_100000709892 [0,0,0,0,0,1|2,0,1]=4 1504 B9R0.55 CC(C)CSCOC(C)C 62a_100000709892_100000210760 [0,0,0,0,0,1|2,0,1]=4 1505 B9R0.55 CC(C)NCCC=C(F)F 2230a_100138425928_200009816681 [0,0,0,0,0,1|3,0,0]=4 1506 B9R0.55 CC(C)NCCC=C(F)F 34a_100138425928_200009816681 [0,0,0,0,0,1|3,0,0]=4 1507 B9R0.55 CC(C)NCCOC(C)C 2230a_100000701111_100000210206 [0,0,0,0,0,1|2,0,1]=4 1508 B9R0.55 CC(C)NCCOC(C)C 2230a_100138425928_100000211751 [0,0,0,0,0,1|2,0,1]=4 1509 B9R0.55 CC(C)NCCOC(C)C 34a_100000224655_100000210206 [0,0,0,0,0,1|2,0,1]=4 1510 B9R0.55 CC(C)NCCOC(C)C 34a_100000701111_100000210206 [0,0,0,0,0,1|2,0,1]=4 1511 B9R0.55 CC(C)NCCOC(C)C 34a_100138425928_100000211751 [0,0,0,0,0,1|2,0,1]=4 1512 B9R0.55 CC(C)NCCSC(C)C 2230a_100000731138_100000210206 [0,0,0,0,0,1|2,0,1]=4 1513 B9R0.55 CC(C)NCCSC(C)C 2230a_100138425928_100000730970 [0,0,0,0,0,1|2,0,1]=4 1514 B9R0.55 CC(C)NCCSC(C)C 34a_100000731138_100000210206 [0,0,0,0,0,1|2,0,1]=4 1515 B9R0.55 CC(C)NCCSC(C)C 34a_100138425928_100000730970 [0,0,0,0,0,1|2,0,1]=4 1516 B9R0.55 CC(C)OCCC=C(F)F 34a_100000212225_200009816681 [0,0,0,0,0,1|3,0,0]=4 1517 B9R0.55 CC(C)OCCOC(C)C 34a_100000211219_100000210206 [0,0,0,0,0,1|2,0,1]=4 1518 B9R0.55 CC(C)OCCOC(C)C 34a_100000212225_100000211751 [0,0,0,0,0,1|2,0,1]=4 1519 B9R0.55 CC(C)OCCOC(C)C 7a_100000211219_100000210206 [0,0,0,0,0,1|2,0,1]=4 1520 B9R0.55 CC(C)OCCSC(C)C 34a_100000212225_100000730970 [0,0,0,0,0,1|2,0,1]=4 1521 B9R0.55 CC(C)OCCSC(C)C 34a_200011212901_100000210206 [0,0,0,0,0,1|2,0,1]=4 1522 B9R0.55 CC(C)OCCSC(C)C 62a_100000210206_100000211751 [0,0,0,0,0,1|2,0,1]=4 1523 B9R0.55 CC(C)OCCSC(C)C 62a_100000211751_100000210206 [0,0,0,0,0,1|2,0,1]=4 1524 B9R0.55 CC(C)OCCSC(C)C 7a_200011212901_100000210206 [0,0,0,0,0,1|2,0,1]=4 1525 B9R0.55 CC(C)OCOC[C@@H](C)Cl 34a_100016084084_100000709892 [0,0,0,0,0,1|2,0,1]=4 1526 B9R0.55 CC(C)OCOC[C@@H](C)N 34a_100000737577_100000709892 [0,0,0,0,0,1|2,0,1]=4 1527 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100000709892_100009817552 [0,0,0,0,0,1|1,0,1]=3 1528 B9R0.55 CC(C)OCSC[C@@H](C)O 62a_100009817552_100000709892 [0,0,0,0,0,1|1,0,1]=3 1529 B9R0.55 CC(C)SCCC=C(F)F 62a_100000210206_200009816681 [0,0,0,0,0,1|3,0,0]=4 1530 B9R0.55 CC(C)SCCC=C(F)F 62a_200009816681_100000210206 [0,0,0,0,0,1|3,0,0]=4 1531 B9R0.55 CC(C)SCCCN(C)C 62a_100000210206_100000757444 [0,0,0,0,0,1|2,0,1]=4 1532 B9R0.55 CC(C)SCCSC(C)C 62a_100000210206_100000730970 [0,0,0,0,0,1|2,0,1]=4 1533 B9R0.55 CC(C)SCCSC(C)C 62a_100000730970_100000210206 [0,0,0,0,0,1|2,0,1]=4 1534 B9R0.55 CC(F)COCOC(C)C 34a_100015925927_100000709892 [0,0,0,0,0,1|2,0,1]=4 1535 B9R0.55 CC(O)CCCNC(C)C 2230a_100138425928_200000718107 [0,0,0,0,0,1|0,0,2]=3 1536 B9R0.55 CC(O)CCCNC(C)C 34a_100138425928_200000718107 [0,0,0,0,0,1|0,0,2]=3 1537 B9R0.55 CC(O)CCCOC(C)C 34a_100000212225_200000718107 [0,0,0,0,0,1|0,0,2]=3 1538 B9R0.55 CC(O)CCCSC(C)C 62a_100000210206_200000718107 [0,0,0,0,0,1|0,0,2]=3 1539 B9R0.55 CC(O)CCCSC(C)C 62a_200000718107_100000210206 [0,0,0,0,0,1|0,0,2]=3 1540 B9R0.55 CC(O)CCNCC(=O)N 2230a_100000711301_100012276601 [0,0,0,0,0,1|2,0,1]=4 1541 B9R0.55 CC(O)CCNCC(=O)N 2230a_200000755665_100000747473 [0,0,0,0,0,1|2,0,1]=4 1542 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,0,0,0,0,1|2,0,1]=4 1543 B9R0.55 CC(O)CCNCC(C)O 2230a_100000210904_100012276601 [0,0,0,0,0,1|1,0,2]=4 1544 B9R0.55 CC(O)CCNCC(C)O 2230a_200000755665_100011218427 [0,0,0,0,0,1|1,0,2]=4 1545 B9R0.55 CC(O)CCNCC(C)O 34a_100000210904_100012276601 [0,0,0,0,0,1|1,0,2]=4 1546 B9R0.55 CC(O)CCNC[C@@H](C)O 2230a_200000755665_100009817552 [0,0,0,0,0,1|1,0,2]=4 1547 B9R0.55 CC(O)CCOCC(C)Br 34a_100012180447_100012276601 [0,0,0,0,0,1|1,0,2]=4 1548 B9R0.55 CC(O)CCOCC(C)F 34a_100015925927_100012276601 [0,0,0,0,0,1|1,0,2]=4 1549 B9R0.55 CC(O)CCOC[C@@H](C)Cl 34a_100016084084_100012276601 [0,0,0,0,0,1|1,0,2]=4 1550 B9R0.55 CC(O)CCOC[C@@H](C)N 34a_100000737577_100012276601 [0,0,0,0,0,1|1,0,2]=4 1551 B9R0.55 CC(O)CCSCC(=O)N 62a_100000747473_100012276601 [0,0,0,0,0,1|2,0,1]=4 1552 B9R0.55 CC(O)CCSCC(=O)N 62a_100012276601_100000747473 [0,0,0,0,0,1|2,0,1]=4 1553 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,0,0,0,0,1|2,0,1]=4 1554 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,0,0,0,0,1|2,0,1]=4 1555 B9R0.55 CC(O)CCSCC(C)O 62a_100011218427_100012276601 [0,0,0,0,0,1|1,0,2]=4 1556 B9R0.55 CC(O)CCSCC(C)O 62a_100012276601_100011218427 [0,0,0,0,0,1|1,0,2]=4 1557 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100009817552_100012276601 [0,0,0,0,0,1|1,0,2]=4 1558 B9R0.55 CC(O)CCSC[C@@H](C)O 62a_100012276601_100009817552 [0,0,0,0,0,1|1,0,2]=4 1559 B9R0.55 CC(O)CNCCC(=O)N 2230a_100000210904_100000744528 [0,0,0,0,0,1|2,0,1]=4 1560 B9R0.55 CC(O)CNCCC(=O)N 34a_100000210904_100000731001 [0,0,0,0,0,1|2,0,1]=4 1561 B9R0.55 CC(O)CNCOC(C)C 2230a_100000210904_100000709892 [0,0,0,0,0,1|1,0,1]=3 1562 B9R0.55 CC(O)CNCOC(C)C 34a_100000210904_100000709892 [0,0,0,0,0,1|1,0,1]=3 1563 B9R0.55 CC(O)COCCC(=O)N 34a_100000757172_100011218427 [0,0,0,0,0,1|2,0,1]=4 1564 B9R0.55 CC(O)COCCC(=O)N 7a_100000757172_100011218427 [0,0,0,0,0,1|2,0,1]=4 1565 B9R0.55 CC(O)COCCC(C)Br 34a_100009893172_100011218427 [0,0,0,0,0,1|1,0,2]=4 1566 B9R0.55 CC(O)COCC[C@@H](C)N 34a_100000706166_100011218427 [0,0,0,0,0,1|1,0,2]=4 1567 B9R0.55 CC(O)CSCCC(=O)N 62a_100000744528_100011218427 [0,0,0,0,0,1|2,0,1]=4 1568 B9R0.55 CC(O)CSCCC(=O)N 62a_100011218427_100000744528 [0,0,0,0,0,1|2,0,1]=4 1569 B9R0.55 CC(O)CSCCN(C)C 62a_100011218427_100000755713 [0,0,0,0,0,1|1,0,1]=3 1570 B9R0.55 CC(O)CSCOC(C)C 62a_100000709892_100011218427 [0,0,0,0,0,1|1,0,1]=3 1571 B9R0.55 CC(O)CSCOC(C)C 62a_100011218427_100000709892 [0,0,0,0,0,1|1,0,1]=3 1572 B9R0.55 C[C@@H](N)CCOC[C@@H](C)O 34a_100000706166_100009817552 [0,0,0,0,0,1|1,0,2]=4 1573 B9R0.55 C[C@@H](O)COCCC(=O)N 34a_100000757172_100009817552 [0,0,0,0,0,1|2,0,1]=4 1574 B9R0.55 C[C@@H](O)COCCC(=O)N 7a_100000757172_100009817552 [0,0,0,0,0,1|2,0,1]=4 1575 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100000744528_100009817552 [0,0,0,0,0,1|2,0,1]=4 1576 B9R0.55 C[C@@H](O)CSCCC(=O)N 62a_100009817552_100000744528 [0,0,0,0,0,1|2,0,1]=4 1577 B9R0.55 C[C@@H](O)CSCCN(C)C 62a_100009817552_100000755713 [0,0,0,0,0,1|1,0,1]=3 1578 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,2]=4 1579 B6R0.4 C/C=C/CN(C)C 269982a_100102631434_100102629194 [2,0,0,0,0,0|2,0,0]=4 1580 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|1,0,1]=4 1581 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|1,0,1]=4 1582 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|1,0,1]=4 1583 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|1,0,1]=4 1584 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|1,0,1]=4 1585 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|1,0,1]=4 1586 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|1,0,1]=4 1587 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|1,0,1]=4 1588 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|1,0,1]=4 1589 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|1,0,1]=4 1590 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [2,0,0,0,0,0|1,0,1]=4 1591 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|1,0,1]=4 1592 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|1,0,1]=4 1593 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [2,0,0,0,0,0|1,0,1]=4 1594 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [2,0,0,0,0,0|1,0,1]=4 1595 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|0,0,2]=4 1596 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|0,0,2]=4 1597 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|0,0,2]=4 1598 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [2,0,0,0,0,0|2,0,0]=4 1599 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [2,0,0,0,0,0|2,0,0]=4 1600 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [2,0,0,0,0,0|2,0,0]=4 1601 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [2,0,0,0,0,0|2,0,0]=4 1602 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [2,0,0,0,0,0|2,0,0]=4 1603 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [2,0,0,0,0,0|2,0,0]=4 1604 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [2,0,0,0,0,0|2,0,0]=4 1605 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [2,0,0,0,0,0|2,0,0]=4 1606 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [2,0,0,0,0,0|2,0,0]=4 1607 B6R0.4 C=CCOC(C)C 34a_100000212225_100015514636 [2,0,0,0,0,0|2,0,0]=4 1608 B6R0.4 C=CCOC(C)C 34a_200000210373_100000210206 [2,0,0,0,0,0|2,0,0]=4 1609 B6R0.4 C=CCSC(C)C 62a_100000210206_100000210623 [2,0,0,0,0,0|2,0,0]=4 1610 B6R0.4 C=CCSC(C)C 62a_100000210623_100000210206 [2,0,0,0,0,0|2,0,0]=4 1611 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [2,0,0,0,0,0|1,0,0]=3 1612 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [2,0,0,0,0,0|1,0,0]=3 1613 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [2,0,0,0,0,0|1,0,0]=3 1614 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [2,0,0,0,0,0|1,0,0]=3 1615 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|2,0,0]=4 1616 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,0]=3 1617 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 1618 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|2,0,0]=4 1619 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|2,0,0]=4 1620 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|2,0,0]=4 1621 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|2,0,0]=4 1622 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|2,0,0]=4 1623 B6R0.4 CC(Br)CCO[13CH3] 34a_100009893172_200025704644 [2,0,0,0,0,0|2,0,0]=4 1624 B6R0.4 CC(C)CCO[13CH3] 34a_100000210254_200025704644 [2,0,0,0,0,0|1,0,1]=4 1625 B6R0.4 CC(C)CCO[13CH3] 7a_100000210254_200025704644 [2,0,0,0,0,0|1,0,1]=4 1626 B6R0.4 CC(C)CCS[13CH3] 62a_100000210312_200025704644 [2,0,0,0,0,0|1,0,1]=4 1627 B6R0.4 CC(C)CCS[13CH3] 62a_200025704644_100000210312 [2,0,0,0,0,0|1,0,1]=4 1628 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [2,0,0,0,0,0|1,0,1]=4 1629 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [2,0,0,0,0,0|1,0,1]=4 1630 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [2,0,0,0,0,0|1,0,1]=4 1631 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [2,0,0,0,0,0|1,0,1]=4 1632 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [2,0,0,0,0,0|1,0,1]=4 1633 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [2,0,0,0,0,0|1,0,1]=4 1634 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [2,0,0,0,0,0|1,0,1]=4 1635 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [2,0,0,0,0,0|1,0,0]=3 1636 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [2,0,0,0,0,0|1,0,0]=3 1637 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [2,0,0,0,0,0|1,0,0]=3 1638 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,2]=4 1639 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,2]=4 1640 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,2]=4 1641 B6R0.4 CC=CCN(C)C 2230a_100102631434_100000070051 [2,0,0,0,0,0|2,0,0]=4 1642 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|1,0,1]=4 1643 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|1,0,1]=4 1644 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,0]=3 1645 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,0]=3 1646 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,0]=3 1647 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [2,0,0,0,0,0|1,0,0]=3 1648 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [2,0,0,0,0,0|1,0,0]=3 1649 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [2,0,0,0,0,0|1,0,0]=3 1650 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [2,0,0,0,0,0|1,0,0]=3 1651 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [2,0,0,0,0,0|1,0,0]=3 1652 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [2,0,0,0,0,0|1,0,0]=3 1653 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 1654 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 1655 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 1656 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|2,0,0]=4 1657 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [2,0,0,0,0,0|1,0,1]=4 1658 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [2,0,0,0,0,0|1,0,1]=4 1659 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [2,0,0,0,0,0|1,0,1]=4 1660 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [2,0,0,0,0,0|1,0,1]=4 1661 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [2,0,0,0,0,0|1,0,1]=4 1662 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [2,0,0,0,0,0|1,0,1]=4 1663 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [2,0,0,0,0,0|1,0,1]=4 1664 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [2,0,0,0,0,0|1,0,1]=4 1665 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [2,0,0,0,0,0|1,0,1]=4 1666 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [2,0,0,0,0,0|1,0,1]=4 1667 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [2,0,0,0,0,0|1,0,1]=4 1668 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [2,0,0,0,0,0|1,0,1]=4 1669 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [2,0,0,0,0,0|1,0,1]=4 1670 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [2,0,0,0,0,0|1,0,1]=4 1671 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|2,0,0]=4 1672 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|2,0,0]=4 1673 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|2,0,0]=4 1674 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [2,0,0,0,0,0|1,0,1]=4 1675 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [2,0,0,0,0,0|1,0,1]=4 1676 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [2,0,0,0,0,0|1,0,1]=4 1677 B6R0.4 CCOCN(C)C 269982a_100102631434_100000739092 [2,0,0,0,0,0|2,0,0]=4 1678 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [2,0,0,0,0,0|1,0,1]=4 1679 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|2,0,0]=4 1680 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|2,0,0]=4 1681 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [2,0,0,0,0,0|1,0,1]=4 1682 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [2,0,0,0,0,0|1,0,1]=4 1683 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [2,0,0,0,0,0|1,0,1]=4 1684 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [2,0,0,0,0,0|1,0,1]=4 1685 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [2,0,0,0,0,0|1,0,1]=4 1686 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [2,0,0,0,0,0|1,0,1]=4 1687 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [2,0,0,0,0,0|2,0,0]=4 1688 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [2,0,0,0,0,0|2,0,0]=4 1689 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [2,0,0,0,0,0|1,0,0]=3 1690 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [2,0,0,0,0,0|1,0,0]=3 1691 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [2,0,0,0,0,0|1,0,0]=3 1692 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [2,0,0,0,0,0|1,0,0]=3 1693 B6R0.4 CN(C)CCS[13CH3] 62a_200025704644_100000755713 [2,0,0,0,0,0|2,0,0]=4 1694 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [2,0,0,0,0,0|1,0,0]=3 1695 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [2,0,0,0,0,0|1,0,0]=3 1696 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [2,0,0,0,0,0|1,0,0]=3 1697 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [2,0,0,0,0,0|1,0,0]=3 1698 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [2,0,0,0,0,0|1,0,0]=3 1699 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [2,0,0,0,0,0|1,0,0]=3 1700 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|2,0,0]=4 1701 B6R0.4 CNCCC(C)C 2230a_106832991635_100000210312 [2,0,0,0,0,0|1,0,1]=4 1702 B6R0.4 CNCCC(C)C 269862a_106832991636_100000185833 [2,0,0,0,0,0|1,0,1]=4 1703 B6R0.4 CNCCC(C)C 34a_100102657272_100000210312 [2,0,0,0,0,0|1,0,1]=4 1704 B6R0.4 CNCCC(C)C 7a_106832991635_100000210626 [2,0,0,0,0,0|1,0,1]=4 1705 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [2,0,0,0,0,0|1,0,0]=3 1706 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [2,0,0,0,0,0|1,0,0]=3 1707 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [2,0,0,0,0,0|1,0,0]=3 1708 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [2,0,0,0,0,0|1,0,0]=3 1709 B6R0.4 CNCCN(C)C 7a_106832991635_100000755713 [2,0,0,0,0,0|2,0,0]=4 1710 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [2,0,0,0,0,0|1,0,0]=3 1711 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [2,0,0,0,0,0|1,0,0]=3 1712 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|2,0,0]=4 1713 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|2,0,0]=4 1714 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 1715 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|2,0,0]=4 1716 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|2,0,0]=4 1717 B6R0.4 COCCC(C)Br 34a_100009893172_200000210301 [2,0,0,0,0,0|2,0,0]=4 1718 B6R0.4 COCCC(C)C 34a_100000210254_200000210301 [2,0,0,0,0,0|1,0,1]=4 1719 B6R0.4 COCCC(C)C 34a_100138415774_100000210312 [2,0,0,0,0,0|1,0,1]=4 1720 B6R0.4 COCCC(C)C 7a_100000210254_200000210301 [2,0,0,0,0,0|1,0,1]=4 1721 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [2,0,0,0,0,0|1,0,0]=3 1722 B6R0.4 COCCN(C)C 2230a_100000743101_200000210301 [2,0,0,0,0,0|2,0,0]=4 1723 B6R0.4 COCCN(C)C 2230a_100102631434_100011201679 [2,0,0,0,0,0|2,0,0]=4 1724 B6R0.4 COCCN(C)C 269982a_100000743101_200000210301 [2,0,0,0,0,0|2,0,0]=4 1725 B6R0.4 COCCN(C)C 269982a_100102631434_100000233755 [2,0,0,0,0,0|2,0,0]=4 1726 B6R0.4 COCCN(C)[13CH3] 2230a_100000743101_200025704644 [2,0,0,0,0,0|2,0,0]=4 1727 B6R0.4 COCCN(C)[13CH3] 269982a_100000743101_200025704644 [2,0,0,0,0,0|2,0,0]=4 1728 B6R0.4 COCC[C@@H](C)N 34a_100000706166_200000210301 [2,0,0,0,0,0|2,0,0]=4 1729 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [2,0,0,0,0,0|1,0,0]=3 1730 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [2,0,0,0,0,0|1,0,0]=3 1731 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|2,0,0]=4 1732 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|2,0,0]=4 1733 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|2,0,0]=4 1734 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|2,0,0]=4 1735 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|2,0,0]=4 1736 B6R0.4 CSCCC(C)C 62a_100000210312_200000210301 [2,0,0,0,0,0|1,0,1]=4 1737 B6R0.4 CSCCC(C)C 62a_200000210301_100000210312 [2,0,0,0,0,0|1,0,1]=4 1738 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [2,0,0,0,0,0|1,0,0]=3 1739 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [2,0,0,0,0,0|1,0,0]=3 1740 B6R0.4 CSCCN(C)C 2230a_100000686725_200000210301 [2,0,0,0,0,0|2,0,0]=4 1741 B6R0.4 CSCCN(C)C 2230a_100102631434_100000751147 [2,0,0,0,0,0|2,0,0]=4 1742 B6R0.4 CSCCN(C)C 269982a_100000686725_200000210301 [2,0,0,0,0,0|2,0,0]=4 1743 B6R0.4 CSCCN(C)C 269982a_100102631434_100000212216 [2,0,0,0,0,0|2,0,0]=4 1744 B6R0.4 CSCCN(C)C 62a_200000210301_100000755713 [2,0,0,0,0,0|2,0,0]=4 1745 B6R0.4 CSCCN(C)[13CH3] 2230a_100000686725_200025704644 [2,0,0,0,0,0|2,0,0]=4 1746 B6R0.4 CSCCN(C)[13CH3] 269982a_100000686725_200025704644 [2,0,0,0,0,0|2,0,0]=4 1747 B6R0.4 C[C@@H](N)CCO[13CH3] 34a_100000706166_200025704644 [2,0,0,0,0,0|2,0,0]=4 1748 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|1,0,0]=3 1749 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|1,0,0]=3 1750 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|1,0,0]=3 1751 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|1,0,0]=3 1752 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [2,0,0,0,0,0|2,0,0]=4 1753 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [2,0,0,0,0,0|1,0,0]=3 1754 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [2,0,0,0,0,0|1,0,0]=3 1755 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [2,0,0,0,0,0|2,0,0]=4 1756 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [2,0,0,0,0,0|2,0,0]=4 1757 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [2,0,0,0,0,0|1,0,0]=3 1758 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|1,0,0]=3 1759 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [2,0,0,0,0,0|1,0,0]=3 1760 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [2,0,0,0,0,0|1,0,0]=3 1761 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [2,0,0,0,0,0|2,0,0]=4 1762 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [2,0,0,0,0,0|2,0,0]=4 1763 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [2,0,0,0,0,0|2,0,0]=4 1764 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [2,0,0,0,0,0|2,0,0]=4 1765 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,1]=4 1766 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 1767 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,1]=4 1768 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 1769 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,1]=4 1770 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 1771 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,1]=4 1772 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 1773 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 1774 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 1775 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|1,0,1]=4 1776 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|1,0,1]=4 1777 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|1,0,1]=4 1778 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|1,0,1]=4 1779 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 1780 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 1781 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 1782 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 1783 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,1]=4 1784 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 1785 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,1]=4 1786 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,1]=4 1787 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [2,0,0,0,0,0|1,0,1]=4 1788 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [2,0,0,0,0,0|1,0,1]=4 1789 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [2,0,0,0,0,0|1,0,1]=4 1790 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [2,0,0,0,0,0|1,0,1]=4 1791 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 1792 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 1793 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [2,0,0,0,0,0|1,0,1]=4 1794 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [2,0,0,0,0,0|1,0,1]=4 1795 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [2,0,0,0,0,0|1,0,1]=4 1796 B6R0.6 COCCCCO 34a_100138415774_100011216708 [2,0,0,0,0,0|1,0,1]=4 1797 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [2,0,0,0,0,0|1,0,1]=4 1798 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [2,0,0,0,0,0|1,0,1]=4 1799 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 1800 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [2,0,0,0,0,0|1,0,1]=4 1801 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [2,0,0,0,0,0|1,0,1]=4 1802 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [2,0,0,0,0,0|1,0,1]=4 1803 B8R0.5 C/C=C/C(C)OC(C)C 34a_200102604097_100000210206 [1,1,0,0,0,0|2,0,0]=4 1804 B8R0.5 CC(=CC(=O)CCF)C 1458a_100000211388_100011217306 [1,1,0,0,0,0|1,0,1]=4 1805 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [1,1,0,0,0,0|0,0,1]=3 1806 B8R0.5 CC(=CC(=O)CCO)Cl 1458a_200042562850_100000211926 [1,1,0,0,0,0|1,0,1]=4 1807 B8R0.5 CC(=CC(=O)CCO)I 1458a_100025716642_100000211926 [1,1,0,0,0,0|1,0,1]=4 1808 B8R0.5 CC(=CC(C)OCF)C 34a_100000717055_100015361967 [1,1,0,0,0,0|2,0,0]=4 1809 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,1,0,0,0,0|2,0,0]=4 1810 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,1,0,0,0,0|2,0,0]=4 1811 B8R0.5 CC(C)NC(C)CCO 2230a_100138425928_100009893172 [1,1,0,0,0,0|1,0,1]=4 1812 B8R0.5 CC(C)NC(C)CCO 34a_100138425928_100009893172 [1,1,0,0,0,0|1,0,1]=4 1813 B8R0.5 CC(C)N[C@H](C)CCO 2230a_100000706166_100000210206 [1,1,0,0,0,0|1,0,1]=4 1814 B8R0.5 CC(C)N[C@H](C)CCO 34a_100000706166_100000210206 [1,1,0,0,0,0|1,0,1]=4 1815 B8R0.5 CC(C)OC(C)CCO 34a_100000212225_100009893172 [1,1,0,0,0,0|1,0,1]=4 1816 B8R0.5 CC(C)SC(C)CCO 62a_100000210206_100009893172 [1,1,0,0,0,0|1,0,1]=4 1817 B8R0.5 CC(C)SC(C)CCO 62a_100009893172_100000210206 [1,1,0,0,0,0|1,0,1]=4 1818 B8R0.5 CC(O)CC(=O)C=CBr 1458a_100016273825_100011218427 [1,1,0,0,0,0|1,0,1]=4 1819 B8R0.5 CC(O)CC(=O)C=CCl 1458a_200016279998_100011218427 [1,1,0,0,0,0|1,0,1]=4 1820 B8R0.5 CC(O)CC(=O)C=CI 1458a_100016256311_100011218427 [1,1,0,0,0,0|1,0,1]=4 1821 B8R0.5 CC=CC(=O)CC(C)C 1458a_100000210699_100000210624 [1,1,0,0,0,0|1,0,1]=4 1822 B8R0.5 CC=CC(=O)CC(C)O 1458a_100000210699_100011218427 [1,1,0,0,0,0|0,0,1]=3 1823 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,1,0,0,0,0|1,0,1]=4 1824 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,1,0,0,0,0|1,0,1]=4 1825 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [1,1,0,0,0,0|0,0,1]=3 1826 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [1,1,0,0,0,0|1,0,1]=4 1827 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [1,1,0,0,0,0|1,0,1]=4 1828 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|1,0,1]=4 1829 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|1,0,1]=4 1830 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|1,0,1]=4 1831 B8R0.5 CCCC(C)CN(C)C 2230a_100102631434_100011216630 [1,1,0,0,0,0|1,0,1]=4 1832 B8R0.5 CCCC(C)CN(C)C 269982a_100102631434_100011216630 [1,1,0,0,0,0|1,0,1]=4 1833 B8R0.5 CCCC(C)CN(C)C 270004a_100102631434_100000243154 [1,1,0,0,0,0|1,0,1]=4 1834 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 1835 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 1836 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|2,0,0]=4 1837 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|2,0,0]=4 1838 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [1,1,0,0,0,0|1,0,1]=4 1839 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [1,1,0,0,0,0|1,0,1]=4 1840 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [1,1,0,0,0,0|1,0,1]=4 1841 B8R0.5 CCCC(C)OC(C)C 34a_100000212225_100000766640 [1,1,0,0,0,0|1,0,1]=4 1842 B8R0.5 CCCC(C)OC(C)C 34a_100000764384_100000210206 [1,1,0,0,0,0|1,0,1]=4 1843 B8R0.5 CCCC(C)OC(C)C 7a_100000764384_100000210206 [1,1,0,0,0,0|1,0,1]=4 1844 B8R0.5 CCCC(C)SC(C)C 62a_100000210206_100000766640 [1,1,0,0,0,0|1,0,1]=4 1845 B8R0.5 CCCC(C)SC(C)C 62a_100000766640_100000210206 [1,1,0,0,0,0|1,0,1]=4 1846 B8R0.5 CCNC(=O)C=C(C)C 11a_100015525214_100000211388 [1,1,0,0,0,0|1,0,1]=4 1847 B8R0.5 CCNC(=O)C=C(C)C 240690a_100015525214_100000211388 [1,1,0,0,0,0|1,0,1]=4 1848 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [1,1,0,0,0,0|1,0,0]=3 1849 B8R0.6 C#C/C(=C\COCC)/C 34a_100016990848_100000210202 [1,1,0,0,0,0|1,0,1]=4 1850 B8R0.6 C#CC(C)NC/C=C/C 34a_100000707721_100102629194 [1,1,0,0,0,0|2,0,0]=4 1851 B8R0.6 C#CC(C)NCC=CC 2230a_100000707721_100000070051 [1,1,0,0,0,0|2,0,0]=4 1852 B8R0.6 C#CC(C)NCC=CC 34a_100000707721_100000070051 [1,1,0,0,0,0|2,0,0]=4 1853 B8R0.6 C#CC(C)OC/C=C/C 34a_100016270725_200000035995 [1,1,0,0,0,0|2,0,0]=4 1854 B8R0.6 C#CC(C)SC/C=C/C 62a_200000035995_100102629194 [1,1,0,0,0,0|2,0,0]=4 1855 B8R0.6 C#CC(C)SCC=CC 62a_200000035995_100000070051 [1,1,0,0,0,0|2,0,0]=4 1856 B8R0.6 C#C[C@@H](C)OC/C=C/C 34a_100009815206_100102629194 [1,1,0,0,0,0|2,0,0]=4 1857 B8R0.6 C#C[C@@H](C)OC/C=C/C 7a_100009815206_100102629194 [1,1,0,0,0,0|2,0,0]=4 1858 B8R0.6 C#C[C@@H](C)OCC=CC 34a_100009815206_100000070051 [1,1,0,0,0,0|2,0,0]=4 1859 B8R0.6 C#C[C@@H](C)OCC=CC 7a_100009815206_100000070051 [1,1,0,0,0,0|2,0,0]=4 1860 B8R0.6 C/C=C(\C)/C=NNCC 4a_100000756455_100020587592 [1,1,0,0,0,0|2,0,0]=4 1861 B8R0.6 C/C=C/COC(C)C#N 34a_100011218135_100102629194 [1,1,0,0,0,0|2,0,0]=4 1862 B8R0.6 C/C=C/COC(C)CC 34a_100016270725_100011215416 [1,1,0,0,0,0|2,0,0]=4 1863 B8R0.6 C/C=C/COC(C)CC 7a_100000210228_100102629194 [1,1,0,0,0,0|2,0,0]=4 1864 B8R0.6 C/C=C/COC(C)CF 34a_100016041109_100102629194 [1,1,0,0,0,0|2,0,0]=4 1865 B8R0.6 C/C=C/COC(C)CF 7a_100016041109_100102629194 [1,1,0,0,0,0|2,0,0]=4 1866 B8R0.6 C/C=C/COC(C)CN 34a_100000210904_100102629194 [1,1,0,0,0,0|2,0,0]=4 1867 B8R0.6 C/C=C/COC(C)CO 34a_100016270725_100012180447 [1,1,0,0,0,0|1,0,0]=3 1868 B8R0.6 C/C=C/CSC(C)C#N 62a_100000703298_100102629194 [1,1,0,0,0,0|2,0,0]=4 1869 B8R0.6 C/C=C/CSC(C)C#N 62a_100102629194_100000703298 [1,1,0,0,0,0|2,0,0]=4 1870 B8R0.6 C/C=C/CSC(C)CC 62a_100000758301_100102629194 [1,1,0,0,0,0|2,0,0]=4 1871 B8R0.6 C/C=C/CSC(C)CC 62a_100102629194_100000758301 [1,1,0,0,0,0|2,0,0]=4 1872 B8R0.6 C/C=C/CSC(C)CO 62a_100012180447_100102629194 [1,1,0,0,0,0|1,0,0]=3 1873 B8R0.6 C/C=C/CSC(C)OC 62a_100009879195_100102629194 [1,1,0,0,0,0|1,0,0]=3 1874 B8R0.6 C/C=C/CSC(C)OC 62a_100102629194_100009879195 [1,1,0,0,0,0|1,0,0]=3 1875 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100016084084_100102629194 [1,1,0,0,0,0|1,0,0]=3 1876 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100102629194_100016084084 [1,1,0,0,0,0|1,0,0]=3 1877 B8R0.6 C=CC(C)OC/C=C/C 34a_100000695699_100102629194 [1,1,0,0,0,0|2,0,0]=4 1878 B8R0.6 C=CC(C)OCC=CC 34a_100000695699_100000070051 [1,1,0,0,0,0|2,0,0]=4 1879 B8R0.6 C=CC(C)SC/C=C/C 62a_100011215867_100102629194 [1,1,0,0,0,0|2,0,0]=4 1880 B8R0.6 C=CC(C)SCC=CC 62a_100011215867_100000070051 [1,1,0,0,0,0|2,0,0]=4 1881 B8R0.6 CC(=NNCCO)CF 4a_100000210001_100000039719 [1,1,0,0,0,0|2,0,0]=4 1882 B8R0.6 CC(=NNCCO)CO 4a_100000210001_100000211253 [1,1,0,0,0,0|2,0,0]=4 1883 B8R0.6 CC(CF)OCCCO 34a_100016041109_100000230001 [1,1,0,0,0,0|1,0,1]=4 1884 B8R0.6 CC(CF)OCCCO 7a_100016041109_100011215043 [1,1,0,0,0,0|1,0,1]=4 1885 B8R0.6 CC(CN)OCCCO 34a_100000210904_100000230001 [1,1,0,0,0,0|1,0,1]=4 1886 B8R0.6 CC(CO)SCCCO 62a_100012180447_100011215043 [1,1,0,0,0,0|1,0,1]=4 1887 B8R0.6 CC=CCNC(C)C#N 2230a_100000737613_100000070051 [1,1,0,0,0,0|2,0,0]=4 1888 B8R0.6 CC=CCNC(C)CC 2230a_100000209981_100000070051 [1,1,0,0,0,0|2,0,0]=4 1889 B8R0.6 CC=CCN[C@H](C)CO 2230a_100000737577_100000070051 [1,1,0,0,0,0|1,0,0]=3 1890 B8R0.6 CC=CCOC(C)C#N 34a_100011218135_100000070051 [1,1,0,0,0,0|2,0,0]=4 1891 B8R0.6 CC=CCOC(C)CC 7a_100000210228_100000070051 [1,1,0,0,0,0|2,0,0]=4 1892 B8R0.6 CC=CCOC(C)CF 34a_100016041109_100000070051 [1,1,0,0,0,0|2,0,0]=4 1893 B8R0.6 CC=CCOC(C)CF 7a_100016041109_100000070051 [1,1,0,0,0,0|2,0,0]=4 1894 B8R0.6 CC=CCOC(C)CN 34a_100000210904_100000070051 [1,1,0,0,0,0|2,0,0]=4 1895 B8R0.6 CC=CCSC(C)C#N 62a_100000070051_100000703298 [1,1,0,0,0,0|2,0,0]=4 1896 B8R0.6 CC=CCSC(C)C#N 62a_100000703298_100000070051 [1,1,0,0,0,0|2,0,0]=4 1897 B8R0.6 CC=CCSC(C)CC 62a_100000070051_100000758301 [1,1,0,0,0,0|2,0,0]=4 1898 B8R0.6 CC=CCSC(C)CC 62a_100000758301_100000070051 [1,1,0,0,0,0|2,0,0]=4 1899 B8R0.6 CC=CCSC(C)CO 62a_100012180447_100000070051 [1,1,0,0,0,0|1,0,0]=3 1900 B8R0.6 CC=CCSC(C)OC 62a_100000070051_100009879195 [1,1,0,0,0,0|1,0,0]=3 1901 B8R0.6 CC=CCSC(C)OC 62a_100009879195_100000070051 [1,1,0,0,0,0|1,0,0]=3 1902 B8R0.6 CC=CCS[C@H](C)CO 62a_100000070051_100016084084 [1,1,0,0,0,0|1,0,0]=3 1903 B8R0.6 CC=CCS[C@H](C)CO 62a_100016084084_100000070051 [1,1,0,0,0,0|1,0,0]=3 1904 B8R0.6 CC=NNCC(O)CC 4a_100015206393_200000210099 [1,1,0,0,0,0|2,0,0]=4 1905 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,1,0,0,0,0|1,0,1]=4 1906 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,1,0,0,0,0|1,0,1]=4 1907 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,1,0,0,0,0|2,0,0]=4 1908 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,1,0,0,0,0|2,0,0]=4 1909 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [1,1,0,0,0,0|1,0,1]=4 1910 B8R0.6 CCC(C)OCCCO 7a_100000210228_100011215043 [1,1,0,0,0,0|1,0,1]=4 1911 B8R0.6 CCC(C)SCCCO 62a_100000758301_100011215043 [1,1,0,0,0,0|1,0,1]=4 1912 B8R0.6 CCC(C)SCCCO 62a_100011215043_100000758301 [1,1,0,0,0,0|1,0,1]=4 1913 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,1,0,0,0,0|1,0,1]=4 1914 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [1,1,0,0,0,0|1,0,1]=4 1915 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [1,1,0,0,0,0|1,0,1]=4 1916 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [1,1,0,0,0,0|1,0,1]=4 1917 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [1,1,0,0,0,0|1,0,1]=4 1918 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,1,0,0,0,0|1,0,1]=4 1919 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,1,0,0,0,0|1,0,1]=4 1920 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,1,0,0,0,0|1,0,1]=4 1921 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,1,0,0,0,0|1,0,1]=4 1922 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,1,0,0,0,0|1,0,1]=4 1923 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 1924 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 1925 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,1,0,0,0,0|1,0,1]=4 1926 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,1,0,0,0,0|0,0,2]=4 1927 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,1,0,0,0,0|0,0,2]=4 1928 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,1,0,0,0,0|0,0,2]=4 1929 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,1,0,0,0,0|0,0,2]=4 1930 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,1,0,0,0,0|0,0,2]=4 1931 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,1,0,0,0,0|0,0,2]=4 1932 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,1,0,0,0,0|0,0,2]=4 1933 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,1,0,0,0,0|0,0,2]=4 1934 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,1,0,0,0,0|0,0,2]=4 1935 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,1,0,0,0,0|0,0,2]=4 1936 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,1,0,0,0,0|0,0,2]=4 1937 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,1,0,0,0,0|0,0,2]=4 1938 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,1,0,0,0,0|0,0,2]=4 1939 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,1,0,0,0,0|0,0,2]=4 1940 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,1,0,0,0,0|0,0,2]=4 1941 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [1,1,0,0,0,0|1,0,1]=4 1942 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [1,1,0,0,0,0|1,0,1]=4 1943 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [1,1,0,0,0,0|1,0,1]=4 1944 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [1,1,0,0,0,0|1,0,1]=4 1945 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [1,1,0,0,0,0|1,0,1]=4 1946 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,1,0,0,0,0|2,0,0]=4 1947 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,1,0,0,0,0|2,0,0]=4 1948 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,1,0,0,0,0|2,0,0]=4 1949 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,1,0,0,0,0|2,0,0]=4 1950 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,1,0,0,0,0|2,0,0]=4 1951 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,1,0,0,0,0|2,0,0]=4 1952 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,1,0,0,0,0|2,0,0]=4 1953 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,1,0,0,0,0|2,0,0]=4 1954 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,1,0,0,0,0|2,0,0]=4 1955 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,1,0,0,0,0|2,0,0]=4 1956 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,1,0,0,0,0|2,0,0]=4 1957 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,1,0,0,0,0|2,0,0]=4 1958 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,1,0,0,0,0|1,0,1]=4 1959 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,1,0,0,0,0|1,0,1]=4 1960 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,1,0,0,0,0|1,0,1]=4 1961 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [1,1,0,0,0,0|1,0,1]=4 1962 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [1,1,0,0,0,0|1,0,1]=4 1963 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [1,1,0,0,0,0|1,0,1]=4 1964 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,1,0,0,0,0|1,0,1]=4 1965 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,1,0,0,0,0|1,0,1]=4 1966 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,1,0,0,0,0|1,0,1]=4 1967 B8R0.6 CCCCOC(C)CF 34a_100016041109_100000210210 [1,1,0,0,0,0|1,0,1]=4 1968 B8R0.6 CCCCOC(C)CF 7a_100016041109_100000210211 [1,1,0,0,0,0|1,0,1]=4 1969 B8R0.6 CCCCOC(C)CN 34a_100000210904_100000210210 [1,1,0,0,0,0|1,0,1]=4 1970 B8R0.6 CCCCOC(C)CO 34a_100000210227_100012180447 [1,1,0,0,0,0|1,0,1]=4 1971 B8R0.6 CCCCOC(C)CO 7a_100000210227_100012180447 [1,1,0,0,0,0|1,0,1]=4 1972 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,1,0,0,0,0|1,0,1]=4 1973 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,1,0,0,0,0|1,0,1]=4 1974 B8R0.6 CCCCSC(C)CO 62a_100012180447_100000210210 [1,1,0,0,0,0|1,0,1]=4 1975 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [1,1,0,0,0,0|1,0,1]=4 1976 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [1,1,0,0,0,0|1,0,1]=4 1977 B8R0.6 CCCCS[C@H](C)CO 62a_100000210211_100016084084 [1,1,0,0,0,0|1,0,1]=4 1978 B8R0.6 CCCCS[C@H](C)CO 62a_100016084084_100000210210 [1,1,0,0,0,0|1,0,1]=4 1979 B8R0.6 CCCNN=C(C)CF 4a_100000740057_100000039719 [1,1,0,0,0,0|2,0,0]=4 1980 B8R0.6 CCCNN=C(C)CO 4a_100000740057_100000211253 [1,1,0,0,0,0|2,0,0]=4 1981 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [1,1,0,0,0,0|1,0,1]=4 1982 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [1,1,0,0,0,0|1,0,1]=4 1983 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [1,1,0,0,0,0|1,0,1]=4 1984 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [1,1,0,0,0,0|1,0,1]=4 1985 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [1,1,0,0,0,0|1,0,1]=4 1986 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [1,1,0,0,0,0|1,0,1]=4 1987 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [1,1,0,0,0,0|1,0,1]=4 1988 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [1,1,0,0,0,0|1,0,1]=4 1989 B8R0.6 CCNCCC(C)CO 2230a_106354213184_100000210202 [1,1,0,0,0,0|1,0,1]=4 1990 B8R0.6 CCNCCC(C)CO 34a_106354213184_100000210202 [1,1,0,0,0,0|1,0,1]=4 1991 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,1,0,0,0,0|1,0,1]=4 1992 B8R0.6 CN(CF)CCCCO 269982a_100000717598_100015361967 [1,1,0,0,0,0|1,0,1]=4 1993 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,1,0,0,0,0|1,0,1]=4 1994 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [1,1,0,0,0,0|2,0,0]=4 1995 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [1,1,0,0,0,0|2,0,0]=4 1996 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [1,1,0,0,0,0|2,0,0]=4 1997 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [1,1,0,0,0,0|2,0,0]=4 1998 B8R0.6 COC(C)SCCCO 62a_100009879195_100011215043 [1,1,0,0,0,0|1,0,1]=4 1999 B8R0.6 COC(C)SCCCO 62a_100011215043_100009879195 [1,1,0,0,0,0|1,0,1]=4 2000 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [1,1,0,0,0,0|1,0,1]=4 2001 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [1,1,0,0,0,0|1,0,1]=4 2002 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [1,1,0,0,0,0|1,0,1]=4 2003 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [1,1,0,0,0,0|1,0,1]=4 2004 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [1,1,0,0,0,0|1,0,1]=4 2005 B8R0.6 C[C@H](CO)SCCCO 62a_100011215043_100016084084 [1,1,0,0,0,0|1,0,1]=4 2006 B8R0.6 C[C@H](CO)SCCCO 62a_100016084084_100011215043 [1,1,0,0,0,0|1,0,1]=4 2007 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,1,0,0,0,0|1,0,1]=4 2008 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,1,0,0,0,0|1,0,1]=4 2009 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [1,1,0,0,0,0|2,0,0]=4 2010 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [1,1,0,0,0,0|2,0,0]=4 2011 B8R0.7 C#CCNCC=C(C)C 34a_100000212058_100000761012 [1,1,0,0,0,0|0,0,2]=4 2012 B8R0.7 C#CCNCC=C(C)C 34a_100000718196_100000184674 [1,1,0,0,0,0|0,0,2]=4 2013 B8R0.7 C#CCOCC=C(C)C 34a_100000210247_100000761012 [1,1,0,0,0,0|0,0,2]=4 2014 B8R0.7 C#CCOCC=C(C)C 34a_100000753907_100000184674 [1,1,0,0,0,0|0,0,2]=4 2015 B8R0.7 C#CCSCC=C(C)C 62a_100000038162_100000761012 [1,1,0,0,0,0|0,0,2]=4 2016 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [1,1,0,0,0,0|1,0,0]=3 2017 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,1,0,0,0,0|1,0,1]=4 2018 B8R0.7 C/C=C/CNCC(C)C 34a_100000210953_100102629194 [1,1,0,0,0,0|1,0,0]=3 2019 B8R0.7 C/C=C/CNCC(C)O 34a_100000210904_100102629194 [1,1,0,0,0,0|0,0,0]=2 2020 B8R0.7 C/C=C/CNCC(F)F 34a_100000765723_100102629194 [1,1,0,0,0,0|2,0,0]=4 2021 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [1,1,0,0,0,0|0,0,2]=4 2022 B8R0.7 C/C=C/COCC(C)Br 34a_100012180447_100102629194 [1,1,0,0,0,0|1,0,0]=3 2023 B8R0.7 C/C=C/COCC(C)C 34a_100000210257_100102629194 [1,1,0,0,0,0|1,0,0]=3 2024 B8R0.7 C/C=C/COCC(C)C 34a_100016270725_100000210624 [1,1,0,0,0,0|1,0,0]=3 2025 B8R0.7 C/C=C/COCC(C)F 34a_100015925927_100102629194 [1,1,0,0,0,0|1,0,0]=3 2026 B8R0.7 C/C=C/COCC(C)O 34a_100016270725_100011218427 [1,1,0,0,0,0|0,0,0]=2 2027 B8R0.7 C/C=C/COCC(F)F 34a_100000743014_100102629194 [1,1,0,0,0,0|2,0,0]=4 2028 B8R0.7 C/C=C/COCC(F)F 34a_100016270725_100011934356 [1,1,0,0,0,0|2,0,0]=4 2029 B8R0.7 C/C=C/COC[C@@H](C)Cl 34a_100016084084_100102629194 [1,1,0,0,0,0|1,0,0]=3 2030 B8R0.7 C/C=C/COC[C@@H](C)N 34a_100000737577_100102629194 [1,1,0,0,0,0|1,0,0]=3 2031 B8R0.7 C/C=C/COC[C@@H](C)O 34a_100016270725_100009817552 [1,1,0,0,0,0|0,0,0]=2 2032 B8R0.7 C/C=C/CSCC(C)C 62a_100000210624_100102629194 [1,1,0,0,0,0|1,0,0]=3 2033 B8R0.7 C/C=C/CSCC(C)C 62a_100102629194_100000210760 [1,1,0,0,0,0|1,0,0]=3 2034 B8R0.7 C/C=C/CSCC(C)O 62a_100011218427_100102629194 [1,1,0,0,0,0|0,0,0]=2 2035 B8R0.7 C/C=C/CSCC(C)O 62a_100102629194_100011218427 [1,1,0,0,0,0|0,0,0]=2 2036 B8R0.7 C/C=C/CSCC(F)F 62a_100011934356_100102629194 [1,1,0,0,0,0|2,0,0]=4 2037 B8R0.7 C/C=C/CSCC(F)F 62a_100102629194_100011934356 [1,1,0,0,0,0|2,0,0]=4 2038 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100009817552_100102629194 [1,1,0,0,0,0|0,0,0]=2 2039 B8R0.7 C/C=C/CSC[C@@H](C)O 62a_100102629194_100009817552 [1,1,0,0,0,0|0,0,0]=2 2040 B8R0.7 C=C(C)C=NNCCC 4a_100000740057_100000210575 [1,1,0,0,0,0|1,0,1]=4 2041 B8R0.7 C=C(C)C=NNCCO 4a_100000210001_100000210575 [1,1,0,0,0,0|1,0,1]=4 2042 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [1,1,0,0,0,0|0,0,2]=4 2043 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [1,1,0,0,0,0|0,0,2]=4 2044 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|0,0,2]=4 2045 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|0,0,2]=4 2046 B8R0.7 C=C(C)CCOCCO 34a_100000764851_100000211926 [1,1,0,0,0,0|0,0,2]=4 2047 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,1,0,0,0,0|0,0,2]=4 2048 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,1,0,0,0,0|0,0,2]=4 2049 B8R0.7 C=C(C)CCSCCO 62a_100000211926_100000730704 [1,1,0,0,0,0|0,0,2]=4 2050 B8R0.7 C=C(C)CCSCCO 62a_100000730704_100000211926 [1,1,0,0,0,0|0,0,2]=4 2051 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,1,0,0,0,0|0,0,2]=4 2052 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,1,0,0,0,0|0,0,2]=4 2053 B8R0.7 C=C(C)COC/C=C/C 34a_100000210245_100102629194 [1,1,0,0,0,0|1,0,1]=4 2054 B8R0.7 C=C(C)COC/C=C/C 34a_100016270725_100000748629 [1,1,0,0,0,0|1,0,1]=4 2055 B8R0.7 C=C(C)COCC=CC 34a_100000210245_100000070051 [1,1,0,0,0,0|1,0,1]=4 2056 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|0,0,2]=4 2057 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|0,0,2]=4 2058 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|0,0,2]=4 2059 B8R0.7 C=C(C)COCCCO 34a_100000210245_100000230001 [1,1,0,0,0,0|0,0,2]=4 2060 B8R0.7 C=C(C)CSC/C=C/C 62a_100000748629_100102629194 [1,1,0,0,0,0|1,0,1]=4 2061 B8R0.7 C=C(C)CSC/C=C/C 62a_100102629194_100000211660 [1,1,0,0,0,0|1,0,1]=4 2062 B8R0.7 C=C(C)CSCC=CC 62a_100000070051_100000211660 [1,1,0,0,0,0|1,0,1]=4 2063 B8R0.7 C=C(C)CSCC=CC 62a_100000748629_100000070051 [1,1,0,0,0,0|1,0,1]=4 2064 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,1,0,0,0,0|0,0,2]=4 2065 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,1,0,0,0,0|0,0,2]=4 2066 B8R0.7 C=C(C)CSCCCO 62a_100000748629_100011215043 [1,1,0,0,0,0|0,0,2]=4 2067 B8R0.7 C=C(C)CSCCCO 62a_100011215043_100000211660 [1,1,0,0,0,0|0,0,2]=4 2068 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [1,1,0,0,0,0|0,0,2]=4 2069 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [1,1,0,0,0,0|0,0,2]=4 2070 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [1,1,0,0,0,0|0,0,2]=4 2071 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [1,1,0,0,0,0|0,0,2]=4 2072 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [1,1,0,0,0,0|0,0,2]=4 2073 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [1,1,0,0,0,0|0,0,2]=4 2074 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [1,1,0,0,0,0|0,0,2]=4 2075 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [1,1,0,0,0,0|0,0,2]=4 2076 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [1,1,0,0,0,0|0,0,2]=4 2077 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [1,1,0,0,0,0|0,0,2]=4 2078 B8R0.7 C=CCNCC=C(C)C 2230a_100020586998_100000761012 [1,1,0,0,0,0|0,0,2]=4 2079 B8R0.7 C=CCNCC=C(C)C 34a_100000718196_100015514636 [1,1,0,0,0,0|0,0,2]=4 2080 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [1,1,0,0,0,0|0,0,2]=4 2081 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [1,1,0,0,0,0|0,0,2]=4 2082 B8R0.7 C=CCOCC=C(C)C 34a_100000753907_100015514636 [1,1,0,0,0,0|0,0,2]=4 2083 B8R0.7 C=CCOCC=C(C)C 34a_200000210373_100000761012 [1,1,0,0,0,0|0,0,2]=4 2084 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [1,1,0,0,0,0|0,0,2]=4 2085 B8R0.7 C=CCSCC=C(C)C 62a_100000210623_100000761012 [1,1,0,0,0,0|0,0,2]=4 2086 B8R0.7 C=CCSCC=C(C)C 62a_100000761012_100000210623 [1,1,0,0,0,0|0,0,2]=4 2087 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [1,1,0,0,0,0|0,0,2]=4 2088 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [1,1,0,0,0,0|0,0,2]=4 2089 B8R0.7 CC#CCNCC(C)O 2230a_100000210904_100000748600 [1,1,0,0,0,0|0,0,2]=4 2090 B8R0.7 CC#CCNCC(C)O 2230a_100000685387_100011218427 [1,1,0,0,0,0|0,0,2]=4 2091 B8R0.7 CC#CCNCC(C)O 34a_100000210904_100000748600 [1,1,0,0,0,0|0,0,2]=4 2092 B8R0.7 CC#CCNCC(C)O 34a_100000685387_100011218427 [1,1,0,0,0,0|0,0,2]=4 2093 B8R0.7 CC#CCNC[C@@H](C)O 2230a_100000685387_100009817552 [1,1,0,0,0,0|0,0,2]=4 2094 B8R0.7 CC#CCNC[C@@H](C)O 34a_100000685387_100009817552 [1,1,0,0,0,0|0,0,2]=4 2095 B8R0.7 CC#CCOCC(C)O 34a_100000761923_100011218427 [1,1,0,0,0,0|0,0,2]=4 2096 B8R0.7 CC#CCOC[C@@H](C)O 34a_100000761923_100009817552 [1,1,0,0,0,0|0,0,2]=4 2097 B8R0.7 CC#CCSCC(C)O 62a_100000748600_100011218427 [1,1,0,0,0,0|0,0,2]=4 2098 B8R0.7 CC#CCSCC(C)O 62a_100011218427_100000748600 [1,1,0,0,0,0|0,0,2]=4 2099 B8R0.7 CC#CCSC[C@@H](C)O 62a_100000748600_100009817552 [1,1,0,0,0,0|0,0,2]=4 2100 B8R0.7 CC#CCSC[C@@H](C)O 62a_100009817552_100000748600 [1,1,0,0,0,0|0,0,2]=4 2101 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [1,1,0,0,0,0|1,0,0]=3 2102 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [1,1,0,0,0,0|1,0,0]=3 2103 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [1,1,0,0,0,0|0,0,2]=4 2104 B8R0.7 CC(=CCNCCF)C 34a_100000718196_100011217306 [1,1,0,0,0,0|1,0,0]=3 2105 B8R0.7 CC(=CCNCCF)C 34a_100000724931_100000761012 [1,1,0,0,0,0|1,0,0]=3 2106 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [1,1,0,0,0,0|0,0,0]=2 2107 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [1,1,0,0,0,0|0,0,0]=2 2108 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [1,1,0,0,0,0|0,0,0]=2 2109 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [1,1,0,0,0,0|0,0,2]=4 2110 B8R0.7 CC(=CCOCCBr)C 34a_100000211926_100000761012 [1,1,0,0,0,0|1,0,0]=3 2111 B8R0.7 CC(=CCOCCF)C 34a_100000753907_100011217306 [1,1,0,0,0,0|1,0,0]=3 2112 B8R0.7 CC(=CCOCCN)C 34a_100000210304_100000761012 [1,1,0,0,0,0|1,0,0]=3 2113 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [1,1,0,0,0,0|0,0,0]=2 2114 B8R0.7 CC(=CCSCC#N)C 62a_100000761012_100011215382 [1,1,0,0,0,0|1,0,1]=4 2115 B8R0.7 CC(=CCSCC#N)C 62a_100011215382_100000761012 [1,1,0,0,0,0|1,0,1]=4 2116 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [1,1,0,0,0,0|0,0,2]=4 2117 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [1,1,0,0,0,0|0,0,2]=4 2118 B8R0.7 CC(=CCSCCF)C 62a_100000761012_100011217306 [1,1,0,0,0,0|1,0,0]=3 2119 B8R0.7 CC(=CCSCCF)C 62a_100011217306_100000761012 [1,1,0,0,0,0|1,0,0]=3 2120 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [1,1,0,0,0,0|0,0,0]=2 2121 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [1,1,0,0,0,0|0,0,0]=2 2122 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,0,0,0,0|1,0,1]=4 2123 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|1,0,1]=4 2124 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|1,0,1]=4 2125 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|1,0,1]=4 2126 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|1,0,1]=4 2127 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,1,0,0,0,0|1,0,1]=4 2128 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,1,0,0,0,0|1,0,1]=4 2129 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,1,0,0,0,0|1,0,1]=4 2130 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,1,0,0,0,0|1,0,1]=4 2131 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,1,0,0,0,0|1,0,1]=4 2132 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,1,0,0,0,0|1,0,1]=4 2133 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,1,0,0,0,0|1,0,1]=4 2134 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,1,0,0,0,0|1,0,1]=4 2135 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,1,0,0,0,0|1,0,1]=4 2136 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,1,0,0,0,0|2,0,0]=4 2137 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,1,0,0,0,0|2,0,0]=4 2138 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,1,0,0,0,0|2,0,0]=4 2139 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,1,0,0,0,0|2,0,0]=4 2140 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [1,1,0,0,0,0|2,0,0]=4 2141 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [1,1,0,0,0,0|2,0,0]=4 2142 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [1,1,0,0,0,0|2,0,0]=4 2143 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,1,0,0,0,0|2,0,0]=4 2144 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,1,0,0,0,0|2,0,0]=4 2145 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [1,1,0,0,0,0|2,0,0]=4 2146 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [1,1,0,0,0,0|2,0,0]=4 2147 B8R0.7 CC(C)C=NNCCO 4a_100000210001_100000210432 [1,1,0,0,0,0|1,0,1]=4 2148 B8R0.7 CC(C)CCCCO[13CH3] 34a_100011214890_200025704644 [1,1,0,0,0,0|0,0,2]=4 2149 B8R0.7 CC(C)CCCCO[13CH3] 7a_100011214890_200025704644 [1,1,0,0,0,0|0,0,2]=4 2150 B8R0.7 CC(C)CCCCS[13CH3] 62a_100011216152_200025704644 [1,1,0,0,0,0|0,0,2]=4 2151 B8R0.7 CC(C)CCCCS[13CH3] 62a_200025704644_100011216152 [1,1,0,0,0,0|0,0,2]=4 2152 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [1,1,0,0,0,0|0,0,2]=4 2153 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [1,1,0,0,0,0|0,0,2]=4 2154 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [1,1,0,0,0,0|0,0,2]=4 2155 B8R0.7 CC(C)CCOCCO 34a_100000210254_100000211926 [1,1,0,0,0,0|0,0,2]=4 2156 B8R0.7 CC(C)CCOCCO 7a_100000210254_100000211926 [1,1,0,0,0,0|0,0,2]=4 2157 B8R0.7 CC(C)CCSCCO 62a_100000210312_100000211926 [1,1,0,0,0,0|0,0,2]=4 2158 B8R0.7 CC(C)CCSCCO 62a_100000211926_100000210312 [1,1,0,0,0,0|0,0,2]=4 2159 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [1,1,0,0,0,0|0,0,2]=4 2160 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [1,1,0,0,0,0|0,0,2]=4 2161 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [1,1,0,0,0,0|0,0,2]=4 2162 B8R0.7 CC(C)COCCCO 34a_100000210257_100000230001 [1,1,0,0,0,0|0,0,2]=4 2163 B8R0.7 CC(C)CSCCCO 62a_100000210624_100011215043 [1,1,0,0,0,0|0,0,2]=4 2164 B8R0.7 CC(C)CSCCCO 62a_100011215043_100000210760 [1,1,0,0,0,0|0,0,2]=4 2165 B8R0.7 CC(C)NCCCCF 2230a_100138425928_100000729493 [1,1,0,0,0,0|1,0,1]=4 2166 B8R0.7 CC(C)NCCCCF 34a_100138425928_100000729493 [1,1,0,0,0,0|1,0,1]=4 2167 B8R0.7 CC(C)NCCCCO 2230a_100000750430_100000210206 [1,1,0,0,0,0|0,0,2]=4 2168 B8R0.7 CC(C)NCCCCO 2230a_100138425928_100000210776 [1,1,0,0,0,0|0,0,2]=4 2169 B8R0.7 CC(C)NCCCCO 34a_100000750430_100000210206 [1,1,0,0,0,0|0,0,2]=4 2170 B8R0.7 CC(C)NCCCCO 34a_100138425928_100011216708 [1,1,0,0,0,0|0,0,2]=4 2171 B8R0.7 CC(C)NCCCO[13CH3] 34a_100000182298_200025704644 [1,1,0,0,0,0|1,0,1]=4 2172 B8R0.7 CC(C)OCCCCBr 34a_100011216708_100000210206 [1,1,0,0,0,0|1,0,1]=4 2173 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [1,1,0,0,0,0|1,0,1]=4 2174 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [1,1,0,0,0,0|1,0,1]=4 2175 B8R0.7 CC(C)OCCCCF 34a_100000212225_100000729493 [1,1,0,0,0,0|1,0,1]=4 2176 B8R0.7 CC(C)OCCCCF 34a_100011995726_100000210206 [1,1,0,0,0,0|1,0,1]=4 2177 B8R0.7 CC(C)OCCCCF 7a_100011995726_100000210206 [1,1,0,0,0,0|1,0,1]=4 2178 B8R0.7 CC(C)OCCCCI 34a_200012148704_100000210206 [1,1,0,0,0,0|1,0,1]=4 2179 B8R0.7 CC(C)OCCCCN 34a_100000750430_100000210206 [1,1,0,0,0,0|1,0,1]=4 2180 B8R0.7 CC(C)OCCCCO 34a_100000212225_100011216708 [1,1,0,0,0,0|0,0,2]=4 2181 B8R0.7 CC(C)OCCCN[13CH3] 2230a_100000737246_200025704644 [1,1,0,0,0,0|1,0,1]=4 2182 B8R0.7 CC(C)OCCCN[13CH3] 34a_100000737246_200025704644 [1,1,0,0,0,0|1,0,1]=4 2183 B8R0.7 CC(C)OCNCCO 2230a_100016997473_100000709892 [1,1,0,0,0,0|1,0,1]=4 2184 B8R0.7 CC(C)OCNCCO 34a_100016990907_100000709892 [1,1,0,0,0,0|1,0,1]=4 2185 B8R0.7 CC(C)OCSCCO 62a_100000211926_100000709892 [1,1,0,0,0,0|1,0,1]=4 2186 B8R0.7 CC(C)OCSCCO 62a_100000709892_100000211926 [1,1,0,0,0,0|1,0,1]=4 2187 B8R0.7 CC(C)SCCCCF 62a_100000210206_100000729493 [1,1,0,0,0,0|1,0,1]=4 2188 B8R0.7 CC(C)SCCCCF 62a_100000729493_100000210206 [1,1,0,0,0,0|1,0,1]=4 2189 B8R0.7 CC(C)SCCCCO 62a_100000210206_100000210776 [1,1,0,0,0,0|0,0,2]=4 2190 B8R0.7 CC(C)SCCCCO 62a_100000210776_100000210206 [1,1,0,0,0,0|0,0,2]=4 2191 B8R0.7 CC(O)CCCSCF 62a_100015361967_200000718107 [1,1,0,0,0,0|1,0,1]=4 2192 B8R0.7 CC(O)CCCSCF 62a_200000718107_100015361967 [1,1,0,0,0,0|1,0,1]=4 2193 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [1,1,0,0,0,0|1,0,1]=4 2194 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [1,1,0,0,0,0|1,0,1]=4 2195 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [1,1,0,0,0,0|1,0,1]=4 2196 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [1,1,0,0,0,0|1,0,1]=4 2197 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [1,1,0,0,0,0|1,0,1]=4 2198 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [1,1,0,0,0,0|1,0,1]=4 2199 B8R0.7 CC(O)CCOCCBr 34a_100000211926_100012276601 [1,1,0,0,0,0|1,0,1]=4 2200 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [1,1,0,0,0,0|1,0,1]=4 2201 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [1,1,0,0,0,0|1,0,1]=4 2202 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [1,1,0,0,0,0|1,0,1]=4 2203 B8R0.7 CC(O)CCSCCF 62a_100011217306_100012276601 [1,1,0,0,0,0|1,0,1]=4 2204 B8R0.7 CC(O)CCSCCF 62a_100012276601_100011217306 [1,1,0,0,0,0|1,0,1]=4 2205 B8R0.7 CC(O)CCSCCO 62a_100000211926_100012276601 [1,1,0,0,0,0|1,0,1]=4 2206 B8R0.7 CC(O)CCSCCO 62a_100012276601_100000211926 [1,1,0,0,0,0|1,0,1]=4 2207 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|0,0,2]=4 2208 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [1,1,0,0,0,0|2,0,0]=4 2209 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [1,1,0,0,0,0|2,0,0]=4 2210 B8R0.7 CC/C=C\CNC(C)C 2230a_100138425928_100103147603 [1,1,0,0,0,0|2,0,0]=4 2211 B8R0.7 CC/C=C\CNC(C)C 34a_100138425928_100103147603 [1,1,0,0,0,0|2,0,0]=4 2212 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [1,1,0,0,0,0|2,0,0]=4 2213 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [1,1,0,0,0,0|2,0,0]=4 2214 B8R0.7 CC/C=C\CSC(C)C 62a_100000210206_100103147603 [1,1,0,0,0,0|2,0,0]=4 2215 B8R0.7 CC/C=C\CSC(C)C 62a_100103147603_100000210206 [1,1,0,0,0,0|2,0,0]=4 2216 B8R0.7 CC=CCNCC(C)C 2230a_100000210953_100000070051 [1,1,0,0,0,0|1,0,0]=3 2217 B8R0.7 CC=CCNCC(C)C 34a_100000210953_100000070051 [1,1,0,0,0,0|1,0,0]=3 2218 B8R0.7 CC=CCNCC(C)O 2230a_100000210904_100000070051 [1,1,0,0,0,0|0,0,0]=2 2219 B8R0.7 CC=CCNCC(C)O 34a_100000210904_100000070051 [1,1,0,0,0,0|0,0,0]=2 2220 B8R0.7 CC=CCNCC(F)F 34a_100000765723_100000070051 [1,1,0,0,0,0|2,0,0]=4 2221 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [1,1,0,0,0,0|0,0,2]=4 2222 B8R0.7 CC=CCOCC(C)Br 34a_100012180447_100000070051 [1,1,0,0,0,0|1,0,0]=3 2223 B8R0.7 CC=CCOCC(C)C 34a_100000210257_100000070051 [1,1,0,0,0,0|1,0,0]=3 2224 B8R0.7 CC=CCOCC(C)F 34a_100015925927_100000070051 [1,1,0,0,0,0|1,0,0]=3 2225 B8R0.7 CC=CCOCC(F)F 34a_100000743014_100000070051 [1,1,0,0,0,0|2,0,0]=4 2226 B8R0.7 CC=CCOC[C@@H](C)Cl 34a_100016084084_100000070051 [1,1,0,0,0,0|1,0,0]=3 2227 B8R0.7 CC=CCOC[C@@H](C)N 34a_100000737577_100000070051 [1,1,0,0,0,0|1,0,0]=3 2228 B8R0.7 CC=CCSCC(C)C 62a_100000070051_100000210760 [1,1,0,0,0,0|1,0,0]=3 2229 B8R0.7 CC=CCSCC(C)C 62a_100000210624_100000070051 [1,1,0,0,0,0|1,0,0]=3 2230 B8R0.7 CC=CCSCC(C)O 62a_100000070051_100011218427 [1,1,0,0,0,0|0,0,0]=2 2231 B8R0.7 CC=CCSCC(C)O 62a_100011218427_100000070051 [1,1,0,0,0,0|0,0,0]=2 2232 B8R0.7 CC=CCSCC(F)F 62a_100000070051_100011934356 [1,1,0,0,0,0|2,0,0]=4 2233 B8R0.7 CC=CCSCC(F)F 62a_100011934356_100000070051 [1,1,0,0,0,0|2,0,0]=4 2234 B8R0.7 CC=CCSC[C@@H](C)O 62a_100000070051_100009817552 [1,1,0,0,0,0|0,0,0]=2 2235 B8R0.7 CC=CCSC[C@@H](C)O 62a_100009817552_100000070051 [1,1,0,0,0,0|0,0,0]=2 2236 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,1,0,0,0,0|1,0,1]=4 2237 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,1,0,0,0,0|1,0,1]=4 2238 B8R0.7 CCC=NNCC(C)O 4a_200000730056_100000210100 [1,1,0,0,0,0|1,0,1]=4 2239 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|1,0,0]=3 2240 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|1,0,0]=3 2241 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|1,0,1]=4 2242 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|1,0,1]=4 2243 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|1,0,1]=4 2244 B8R0.7 CCCCCCN(C)C 2230a_100102631434_100000210314 [1,1,0,0,0,0|1,0,1]=4 2245 B8R0.7 CCCCCCN(C)C 2230a_106256046315_200000210301 [1,1,0,0,0,0|1,0,1]=4 2246 B8R0.7 CCCCCCN(C)C 269982a_100102631434_100000210757 [1,1,0,0,0,0|1,0,1]=4 2247 B8R0.7 CCCCCCN(C)C 269982a_106256046315_200000210301 [1,1,0,0,0,0|1,0,1]=4 2248 B8R0.7 CCCCCCN(C)[13CH3] 2230a_106256046315_200025704644 [1,1,0,0,0,0|1,0,1]=4 2249 B8R0.7 CCCCCCN(C)[13CH3] 269982a_106256046315_200025704644 [1,1,0,0,0,0|1,0,1]=4 2250 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 2251 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 2252 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|1,0,1]=4 2253 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|1,0,1]=4 2254 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [1,1,0,0,0,0|0,0,2]=4 2255 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [1,1,0,0,0,0|0,0,2]=4 2256 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [1,1,0,0,0,0|0,0,2]=4 2257 B8R0.7 CCCCCOC(C)C 34a_100000210253_100000210206 [1,1,0,0,0,0|0,0,2]=4 2258 B8R0.7 CCCCCOC(C)C 34a_100000212225_100000718602 [1,1,0,0,0,0|0,0,2]=4 2259 B8R0.7 CCCCCOC(C)C 7a_100000210253_100000210206 [1,1,0,0,0,0|0,0,2]=4 2260 B8R0.7 CCCCCSC(C)C 62a_100000210206_100000210326 [1,1,0,0,0,0|0,0,2]=4 2261 B8R0.7 CCCCCSC(C)C 62a_100000210326_100000210206 [1,1,0,0,0,0|0,0,2]=4 2262 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [1,1,0,0,0,0|0,0,2]=4 2263 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [1,1,0,0,0,0|0,0,2]=4 2264 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [1,1,0,0,0,0|0,0,2]=4 2265 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [1,1,0,0,0,0|0,0,2]=4 2266 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [1,1,0,0,0,0|0,0,2]=4 2267 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [1,1,0,0,0,0|0,0,2]=4 2268 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [1,1,0,0,0,0|0,0,2]=4 2269 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [1,1,0,0,0,0|0,0,2]=4 2270 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [1,1,0,0,0,0|0,0,2]=4 2271 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [1,1,0,0,0,0|0,0,2]=4 2272 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [1,1,0,0,0,0|0,0,2]=4 2273 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,1,0,0,0,0|2,0,0]=4 2274 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|1,0,1]=4 2275 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|1,0,1]=4 2276 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|1,0,1]=4 2277 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|1,0,1]=4 2278 B8R0.7 CCCCOCC(C)C 34a_100000210227_100000210624 [1,1,0,0,0,0|0,0,2]=4 2279 B8R0.7 CCCCOCC(C)C 34a_100000210257_100000210210 [1,1,0,0,0,0|0,0,2]=4 2280 B8R0.7 CCCCOCC(C)C 7a_100000210227_100000210760 [1,1,0,0,0,0|0,0,2]=4 2281 B8R0.7 CCCCOCC(C)O 34a_100000210227_100011218427 [1,1,0,0,0,0|0,0,2]=4 2282 B8R0.7 CCCCOCC(C)O 7a_100000210227_100011218427 [1,1,0,0,0,0|0,0,2]=4 2283 B8R0.7 CCCCOCN(C)C 2230a_100102631434_100011995733 [1,1,0,0,0,0|1,0,1]=4 2284 B8R0.7 CCCCOCN(C)C 269982a_100102631434_100011995733 [1,1,0,0,0,0|1,0,1]=4 2285 B8R0.7 CCCCOC[C@@H](C)O 34a_100000210227_100009817552 [1,1,0,0,0,0|0,0,2]=4 2286 B8R0.7 CCCCOC[C@@H](C)O 7a_100000210227_100009817552 [1,1,0,0,0,0|0,0,2]=4 2287 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|1,0,1]=4 2288 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|1,0,1]=4 2289 B8R0.7 CCCCSCC(C)C 62a_100000210211_100000210760 [1,1,0,0,0,0|0,0,2]=4 2290 B8R0.7 CCCCSCC(C)C 62a_100000210624_100000210210 [1,1,0,0,0,0|0,0,2]=4 2291 B8R0.7 CCCCSCC(C)O 62a_100000210211_100011218427 [1,1,0,0,0,0|0,0,2]=4 2292 B8R0.7 CCCCSCC(C)O 62a_100011218427_100000210210 [1,1,0,0,0,0|0,0,2]=4 2293 B8R0.7 CCCCSC[C@@H](C)O 62a_100000210211_100009817552 [1,1,0,0,0,0|0,0,2]=4 2294 B8R0.7 CCCCSC[C@@H](C)O 62a_100009817552_100000210210 [1,1,0,0,0,0|0,0,2]=4 2295 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [1,1,0,0,0,0|0,0,0]=2 2296 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [1,1,0,0,0,0|0,0,2]=4 2297 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [1,1,0,0,0,0|0,0,2]=4 2298 B8R0.7 CCCNN=CC(C)C 4a_100000740057_100000210432 [1,1,0,0,0,0|1,0,1]=4 2299 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,1,0,0,0,0|0,0,0]=2 2300 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,1,0,0,0,0|0,0,0]=2 2301 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|1,0,1]=4 2302 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|1,0,1]=4 2303 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|1,0,1]=4 2304 B8R0.7 CCCOCCC(C)C 34a_100000210254_100000210303 [1,1,0,0,0,0|0,0,2]=4 2305 B8R0.7 CCCOCCC(C)C 34a_100000210258_100000210312 [1,1,0,0,0,0|0,0,2]=4 2306 B8R0.7 CCCOCCC(C)C 7a_100000210254_100000210303 [1,1,0,0,0,0|0,0,2]=4 2307 B8R0.7 CCCOCCC(C)O 34a_100000210258_100012276601 [1,1,0,0,0,0|0,0,2]=4 2308 B8R0.7 CCCOCCN(C)C 2230a_100102631434_100011215938 [1,1,0,0,0,0|1,0,1]=4 2309 B8R0.7 CCCOCCN(C)C 269982a_100102631434_100011215938 [1,1,0,0,0,0|1,0,1]=4 2310 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,1,0,0,0,0|2,0,0]=4 2311 B8R0.7 CCCOCOC(C)C 34a_100000210258_100000709892 [1,1,0,0,0,0|1,0,1]=4 2312 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [1,1,0,0,0,0|0,0,0]=2 2313 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [1,1,0,0,0,0|0,0,0]=2 2314 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|1,0,1]=4 2315 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|1,0,1]=4 2316 B8R0.7 CCCSCCC(C)C 62a_100000210303_100000210312 [1,1,0,0,0,0|0,0,2]=4 2317 B8R0.7 CCCSCCC(C)C 62a_100000210312_100000210303 [1,1,0,0,0,0|0,0,2]=4 2318 B8R0.7 CCCSCCC(C)O 62a_100000210303_100012276601 [1,1,0,0,0,0|0,0,2]=4 2319 B8R0.7 CCCSCCC(C)O 62a_100012276601_100000210303 [1,1,0,0,0,0|0,0,2]=4 2320 B8R0.7 CCCSCCN(C)C 62a_100000210303_100000755713 [1,1,0,0,0,0|1,0,1]=4 2321 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,1,0,0,0,0|2,0,0]=4 2322 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,1,0,0,0,0|2,0,0]=4 2323 B8R0.7 CCCSCOC(C)C 62a_100000210303_100000709892 [1,1,0,0,0,0|1,0,1]=4 2324 B8R0.7 CCCSCOC(C)C 62a_100000709892_100000210303 [1,1,0,0,0,0|1,0,1]=4 2325 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [1,1,0,0,0,0|0,0,0]=2 2326 B8R0.7 CCNCCC=C(F)F 2230a_100015525214_200009816681 [1,1,0,0,0,0|2,0,0]=4 2327 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [1,1,0,0,0,0|0,0,2]=4 2328 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [1,1,0,0,0,0|0,0,2]=4 2329 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [1,1,0,0,0,0|0,0,2]=4 2330 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [1,1,0,0,0,0|0,0,2]=4 2331 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,1,0,0,0,0|2,0,0]=4 2332 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,1,0,0,0,0|2,0,0]=4 2333 B8R0.7 CCNCCOC(C)C 2230a_100000701111_100000210202 [1,1,0,0,0,0|1,0,1]=4 2334 B8R0.7 CCNCCOC(C)C 2230a_100015525214_100000211751 [1,1,0,0,0,0|1,0,1]=4 2335 B8R0.7 CCNCCOC(C)C 34a_100000701111_100000210202 [1,1,0,0,0,0|1,0,1]=4 2336 B8R0.7 CCNCCSC(C)C 2230a_100000731138_100000210202 [1,1,0,0,0,0|1,0,1]=4 2337 B8R0.7 CCNCCSC(C)C 2230a_100015525214_100000730970 [1,1,0,0,0,0|1,0,1]=4 2338 B8R0.7 CCNCCSC(C)C 34a_100000731138_100000210202 [1,1,0,0,0,0|1,0,1]=4 2339 B8R0.7 CCNN=CC=C(C)C 4a_100000756455_100011215525 [1,1,0,0,0,0|1,0,1]=4 2340 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,1,0,0,0,0|0,0,0]=2 2341 B8R0.7 CCOCCC=C(F)F 34a_100121572206_200009816681 [1,1,0,0,0,0|2,0,0]=4 2342 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|1,0,1]=4 2343 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|1,0,1]=4 2344 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|1,0,1]=4 2345 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|1,0,1]=4 2346 B8R0.7 CCOCCCC(C)C 34a_100000210774_100000210202 [1,1,0,0,0,0|0,0,2]=4 2347 B8R0.7 CCOCCCC(C)C 34a_100121572206_100011214892 [1,1,0,0,0,0|0,0,2]=4 2348 B8R0.7 CCOCCCC(C)C 7a_100000210774_100000210202 [1,1,0,0,0,0|0,0,2]=4 2349 B8R0.7 CCOCCCC(C)O 34a_100121572206_200000718107 [1,1,0,0,0,0|0,0,2]=4 2350 B8R0.7 CCOCCCN(C)C 2230a_100102631434_100012232248 [1,1,0,0,0,0|1,0,1]=4 2351 B8R0.7 CCOCCCN(C)C 269982a_100102631434_100012232248 [1,1,0,0,0,0|1,0,1]=4 2352 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,1,0,0,0,0|2,0,0]=4 2353 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,1,0,0,0,0|2,0,0]=4 2354 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,1,0,0,0,0|2,0,0]=4 2355 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,1,0,0,0,0|2,0,0]=4 2356 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,1,0,0,0,0|2,0,0]=4 2357 B8R0.7 CCOCCNC(C)C 2230a_100138425928_100011215890 [1,1,0,0,0,0|1,0,1]=4 2358 B8R0.7 CCOCCNC(C)C 2230a_102516460346_100000210206 [1,1,0,0,0,0|1,0,1]=4 2359 B8R0.7 CCOCCNC(C)C 34a_100000224655_100000210202 [1,1,0,0,0,0|1,0,1]=4 2360 B8R0.7 CCOCCNC(C)C 34a_100138425928_100000210147 [1,1,0,0,0,0|1,0,1]=4 2361 B8R0.7 CCOCCNC(C)C 34a_102516460346_100000210206 [1,1,0,0,0,0|1,0,1]=4 2362 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,1,0,0,0,0|2,0,0]=4 2363 B8R0.7 CCOCCOC(C)C 34a_100000210136_100000210206 [1,1,0,0,0,0|1,0,1]=4 2364 B8R0.7 CCOCCOC(C)C 34a_100000211219_100000210202 [1,1,0,0,0,0|1,0,1]=4 2365 B8R0.7 CCOCCOC(C)C 34a_100000212225_100000210147 [1,1,0,0,0,0|1,0,1]=4 2366 B8R0.7 CCOCCOC(C)C 34a_100121572206_100000211751 [1,1,0,0,0,0|1,0,1]=4 2367 B8R0.7 CCOCCOC(C)C 7a_100000210136_100000210206 [1,1,0,0,0,0|1,0,1]=4 2368 B8R0.7 CCOCCOC(C)C 7a_100000211219_100000210202 [1,1,0,0,0,0|1,0,1]=4 2369 B8R0.7 CCOCCSC(C)C 34a_100121572206_100000730970 [1,1,0,0,0,0|1,0,1]=4 2370 B8R0.7 CCOCCSC(C)C 34a_200011212901_100000210202 [1,1,0,0,0,0|1,0,1]=4 2371 B8R0.7 CCOCCSC(C)C 62a_100000210147_100000210206 [1,1,0,0,0,0|1,0,1]=4 2372 B8R0.7 CCOCCSC(C)C 62a_100000210206_100011215890 [1,1,0,0,0,0|1,0,1]=4 2373 B8R0.7 CCOCCSC(C)C 7a_200011212901_100000210202 [1,1,0,0,0,0|1,0,1]=4 2374 B8R0.7 CCOCSCC(C)O 62a_100000739092_100011218427 [1,1,0,0,0,0|1,0,1]=4 2375 B8R0.7 CCOCSCC(C)O 62a_100011218427_100000739092 [1,1,0,0,0,0|1,0,1]=4 2376 B8R0.7 CCOCSC[C@@H](C)O 62a_100000739092_100009817552 [1,1,0,0,0,0|1,0,1]=4 2377 B8R0.7 CCOCSC[C@@H](C)O 62a_100009817552_100000739092 [1,1,0,0,0,0|1,0,1]=4 2378 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,1,0,0,0,0|0,0,0]=2 2379 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,1,0,0,0,0|0,0,0]=2 2380 B8R0.7 CCSCCC=C(F)F 62a_100000210202_200009816681 [1,1,0,0,0,0|2,0,0]=4 2381 B8R0.7 CCSCCC=C(F)F 62a_200009816681_100000210202 [1,1,0,0,0,0|2,0,0]=4 2382 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|1,0,1]=4 2383 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|1,0,1]=4 2384 B8R0.7 CCSCCCC(C)C 62a_100000210202_100011214892 [1,1,0,0,0,0|0,0,2]=4 2385 B8R0.7 CCSCCCC(C)C 62a_100011214892_100000210202 [1,1,0,0,0,0|0,0,2]=4 2386 B8R0.7 CCSCCCC(C)O 62a_100000210202_200000718107 [1,1,0,0,0,0|0,0,2]=4 2387 B8R0.7 CCSCCCC(C)O 62a_200000718107_100000210202 [1,1,0,0,0,0|0,0,2]=4 2388 B8R0.7 CCSCCCN(C)C 62a_100000210202_100000757444 [1,1,0,0,0,0|1,0,1]=4 2389 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 2390 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 2391 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,1,0,0,0,0|2,0,0]=4 2392 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,1,0,0,0,0|2,0,0]=4 2393 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,1,0,0,0,0|2,0,0]=4 2394 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,1,0,0,0,0|2,0,0]=4 2395 B8R0.7 CCSCCNC(C)C 2230a_100000106463_100000210206 [1,1,0,0,0,0|1,0,1]=4 2396 B8R0.7 CCSCCNC(C)C 2230a_100138425928_100000757381 [1,1,0,0,0,0|1,0,1]=4 2397 B8R0.7 CCSCCNC(C)C 34a_100138425928_100000757381 [1,1,0,0,0,0|1,0,1]=4 2398 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,1,0,0,0,0|2,0,0]=4 2399 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,1,0,0,0,0|2,0,0]=4 2400 B8R0.7 CCSCCOC(C)C 34a_100000212035_100000210206 [1,1,0,0,0,0|1,0,1]=4 2401 B8R0.7 CCSCCOC(C)C 34a_100000212225_100000757381 [1,1,0,0,0,0|1,0,1]=4 2402 B8R0.7 CCSCCOC(C)C 62a_100000210202_100000211751 [1,1,0,0,0,0|1,0,1]=4 2403 B8R0.7 CCSCCOC(C)C 62a_100000211751_100000210202 [1,1,0,0,0,0|1,0,1]=4 2404 B8R0.7 CCSCCOC(C)C 7a_100000212035_100000210206 [1,1,0,0,0,0|1,0,1]=4 2405 B8R0.7 CCSCCSC(C)C 62a_100000210202_100000730970 [1,1,0,0,0,0|1,0,1]=4 2406 B8R0.7 CCSCCSC(C)C 62a_100000210206_100000757381 [1,1,0,0,0,0|1,0,1]=4 2407 B8R0.7 CCSCCSC(C)C 62a_100000730970_100000210202 [1,1,0,0,0,0|1,0,1]=4 2408 B8R0.7 CCSCCSC(C)C 62a_100000757381_100000210206 [1,1,0,0,0,0|1,0,1]=4 2409 B8R0.7 CN(C)CCCCCF 2230a_100102631434_100000729378 [1,1,0,0,0,0|1,0,1]=4 2410 B8R0.7 CN(C)CCCCCF 269982a_100102631434_100000729378 [1,1,0,0,0,0|1,0,1]=4 2411 B8R0.7 CN(C)CCCCCO 2230a_100000722520_200000210301 [1,1,0,0,0,0|1,0,1]=4 2412 B8R0.7 CN(C)CCCCCO 2230a_100102631434_100000746330 [1,1,0,0,0,0|1,0,1]=4 2413 B8R0.7 CN(C)CCCCCO 269982a_100000722520_200000210301 [1,1,0,0,0,0|1,0,1]=4 2414 B8R0.7 CN(C)CCCCCO 269982a_100102631434_100000746330 [1,1,0,0,0,0|1,0,1]=4 2415 B8R0.7 CN(C)CCCCS[13CH3] 62a_200025704644_100000690147 [1,1,0,0,0,0|1,0,1]=4 2416 B8R0.7 CN(C)CCOCCO 2230a_100000228057_200000210301 [1,1,0,0,0,0|1,0,1]=4 2417 B8R0.7 CN(C)CCOCCO 2230a_100102631434_100011215305 [1,1,0,0,0,0|1,0,1]=4 2418 B8R0.7 CN(C)CCOCCO 269982a_100000228057_200000210301 [1,1,0,0,0,0|1,0,1]=4 2419 B8R0.7 CN(C)CCOCCO 269982a_100102631434_100011215305 [1,1,0,0,0,0|1,0,1]=4 2420 B8R0.7 CN(C)CCSCCO 62a_100000211926_100000755713 [1,1,0,0,0,0|1,0,1]=4 2421 B8R0.7 CN([13CH3])CCCCCO 2230a_100000722520_200025704644 [1,1,0,0,0,0|1,0,1]=4 2422 B8R0.7 CN([13CH3])CCCCCO 269982a_100000722520_200025704644 [1,1,0,0,0,0|1,0,1]=4 2423 B8R0.7 CN([13CH3])CCOCCO 2230a_100000228057_200025704644 [1,1,0,0,0,0|1,0,1]=4 2424 B8R0.7 CN([13CH3])CCOCCO 269982a_100000228057_200025704644 [1,1,0,0,0,0|1,0,1]=4 2425 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|1,0,1]=4 2426 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|1,0,1]=4 2427 B8R0.7 CNCCCCC(C)C 2230a_106832991635_100011216152 [1,1,0,0,0,0|0,0,2]=4 2428 B8R0.7 CNCCCCC(C)C 34a_100102657272_100011216152 [1,1,0,0,0,0|0,0,2]=4 2429 B8R0.7 CNCCCCC(C)C 7a_106832991635_100011216152 [1,1,0,0,0,0|0,0,2]=4 2430 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,1,0,0,0,0|2,0,0]=4 2431 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,1,0,0,0,0|2,0,0]=4 2432 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,1,0,0,0,0|2,0,0]=4 2433 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [1,1,0,0,0,0|2,0,0]=4 2434 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [1,1,0,0,0,0|2,0,0]=4 2435 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [1,1,0,0,0,0|2,0,0]=4 2436 B8R0.7 CNCCCOC(C)C 2230a_100000737246_200000210301 [1,1,0,0,0,0|1,0,1]=4 2437 B8R0.7 CNCCCOC(C)C 34a_100000213112_100000210206 [1,1,0,0,0,0|1,0,1]=4 2438 B8R0.7 CNCCCOC(C)C 34a_100000737246_200000210301 [1,1,0,0,0,0|1,0,1]=4 2439 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,1,0,0,0,0|2,0,0]=4 2440 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,1,0,0,0,0|2,0,0]=4 2441 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,1,0,0,0,0|2,0,0]=4 2442 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|1,0,1]=4 2443 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|1,0,1]=4 2444 B8R0.7 COCCCCC(C)C 34a_100011214890_200000210301 [1,1,0,0,0,0|0,0,2]=4 2445 B8R0.7 COCCCCC(C)C 34a_100138415774_100011216152 [1,1,0,0,0,0|0,0,2]=4 2446 B8R0.7 COCCCCC(C)C 7a_100011214890_200000210301 [1,1,0,0,0,0|0,0,2]=4 2447 B8R0.7 COCCCCN(C)C 2230a_100102631434_100000730899 [1,1,0,0,0,0|1,0,1]=4 2448 B8R0.7 COCCCCN(C)C 269982a_100102631434_100000730899 [1,1,0,0,0,0|1,0,1]=4 2449 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 2450 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,1,0,0,0,0|2,0,0]=4 2451 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,1,0,0,0,0|2,0,0]=4 2452 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,1,0,0,0,0|2,0,0]=4 2453 B8R0.7 COCCCNC(C)C 2230a_100138425928_100000740836 [1,1,0,0,0,0|1,0,1]=4 2454 B8R0.7 COCCCNC(C)C 34a_100000182298_200000210301 [1,1,0,0,0,0|1,0,1]=4 2455 B8R0.7 COCCCNC(C)C 34a_100138425928_100000740836 [1,1,0,0,0,0|1,0,1]=4 2456 B8R0.7 COCCCNC(C)C 34a_100150723488_100000210206 [1,1,0,0,0,0|1,0,1]=4 2457 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,1,0,0,0,0|2,0,0]=4 2458 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [1,1,0,0,0,0|2,0,0]=4 2459 B8R0.7 COCCCOC(C)C 34a_100000212225_100000740836 [1,1,0,0,0,0|1,0,1]=4 2460 B8R0.7 COCCCOC(C)C 34a_100000740835_100000210206 [1,1,0,0,0,0|1,0,1]=4 2461 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,1,0,0,0,0|2,0,0]=4 2462 B8R0.7 COCCCSC(C)C 62a_100000210206_100000709357 [1,1,0,0,0,0|1,0,1]=4 2463 B8R0.7 COCCCSC(C)C 62a_100000709357_100000210206 [1,1,0,0,0,0|1,0,1]=4 2464 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [1,1,0,0,0,0|1,0,1]=4 2465 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [1,1,0,0,0,0|1,0,1]=4 2466 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [1,1,0,0,0,0|1,0,1]=4 2467 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [1,1,0,0,0,0|1,0,1]=4 2468 B8R0.7 COCCOCC(C)O 34a_100000210237_100011218427 [1,1,0,0,0,0|1,0,1]=4 2469 B8R0.7 COCCOC[C@@H](C)O 34a_100000210237_100009817552 [1,1,0,0,0,0|1,0,1]=4 2470 B8R0.7 COCCSCC(C)O 62a_100000233755_100011218427 [1,1,0,0,0,0|1,0,1]=4 2471 B8R0.7 COCCSCC(C)O 62a_100011218427_100000233755 [1,1,0,0,0,0|1,0,1]=4 2472 B8R0.7 COCCSC[C@@H](C)O 62a_100000233755_100009817552 [1,1,0,0,0,0|1,0,1]=4 2473 B8R0.7 COCCSC[C@@H](C)O 62a_100009817552_100000233755 [1,1,0,0,0,0|1,0,1]=4 2474 B8R0.7 COCNCCC(C)O 2230a_200000755665_100000766300 [1,1,0,0,0,0|1,0,1]=4 2475 B8R0.7 COCSCC=C(C)C 62a_100000761012_100000766300 [1,1,0,0,0,0|1,0,0]=3 2476 B8R0.7 COCSCC=C(C)C 62a_100000766300_100000761012 [1,1,0,0,0,0|1,0,0]=3 2477 B8R0.7 COCSCCC(C)O 62a_100000766300_100012276601 [1,1,0,0,0,0|1,0,1]=4 2478 B8R0.7 COCSCCC(C)O 62a_100012276601_100000766300 [1,1,0,0,0,0|1,0,1]=4 2479 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|1,0,1]=4 2480 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|1,0,1]=4 2481 B8R0.7 CSCCCCC(C)C 62a_100011216152_200000210301 [1,1,0,0,0,0|0,0,2]=4 2482 B8R0.7 CSCCCCC(C)C 62a_200000210301_100011216152 [1,1,0,0,0,0|0,0,2]=4 2483 B8R0.7 CSCCCCN(C)C 62a_200000210301_100000690147 [1,1,0,0,0,0|1,0,1]=4 2484 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 2485 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 2486 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,1,0,0,0,0|2,0,0]=4 2487 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,1,0,0,0,0|2,0,0]=4 2488 B8R0.7 CSCCCNC(C)C 2230a_100000749238_100000210206 [1,1,0,0,0,0|1,0,1]=4 2489 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,1,0,0,0,0|2,0,0]=4 2490 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,1,0,0,0,0|2,0,0]=4 2491 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [1,1,0,0,0,0|2,0,0]=4 2492 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [1,1,0,0,0,0|2,0,0]=4 2493 B8R0.7 CSCCCOC(C)C 34a_100000690336_100000210206 [1,1,0,0,0,0|1,0,1]=4 2494 B8R0.7 CSCCCOC(C)C 7a_100000690336_100000210206 [1,1,0,0,0,0|1,0,1]=4 2495 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,1,0,0,0,0|2,0,0]=4 2496 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,1,0,0,0,0|2,0,0]=4 2497 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [1,1,0,0,0,0|1,0,1]=4 2498 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [1,1,0,0,0,0|1,0,1]=4 2499 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [1,1,0,0,0,0|1,0,1]=4 2500 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [1,1,0,0,0,0|1,0,1]=4 2501 B8R0.7 CSCCOCC(C)O 34a_100000230434_100011218427 [1,1,0,0,0,0|1,0,1]=4 2502 B8R0.7 CSCCOCC(C)O 7a_100000230434_100011218427 [1,1,0,0,0,0|1,0,1]=4 2503 B8R0.7 CSCCOC[C@@H](C)O 34a_100000230434_100009817552 [1,1,0,0,0,0|1,0,1]=4 2504 B8R0.7 CSCCOC[C@@H](C)O 7a_100000230434_100009817552 [1,1,0,0,0,0|1,0,1]=4 2505 B8R0.7 CSCCSCC(C)O 62a_100000212216_100011218427 [1,1,0,0,0,0|1,0,1]=4 2506 B8R0.7 CSCCSCC(C)O 62a_100011218427_100000751147 [1,1,0,0,0,0|1,0,1]=4 2507 B8R0.7 CSCCSC[C@@H](C)O 62a_100000212216_100009817552 [1,1,0,0,0,0|1,0,1]=4 2508 B8R0.7 CSCCSC[C@@H](C)O 62a_100009817552_100000751147 [1,1,0,0,0,0|1,0,1]=4 2509 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [1,1,0,0,0,0|1,0,0]=3 2510 B8R0.7 CSCNCCC(C)O 2230a_200000755665_100011218213 [1,1,0,0,0,0|1,0,1]=4 2511 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [1,1,0,0,0,0|1,0,0]=3 2512 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [1,1,0,0,0,0|1,0,0]=3 2513 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [1,1,0,0,0,0|1,0,0]=3 2514 B8R0.7 CSCSCCC(C)O 62a_100011218213_100012276601 [1,1,0,0,0,0|1,0,1]=4 2515 B8R0.7 CSCSCCC(C)O 62a_100012276601_100011218213 [1,1,0,0,0,0|1,0,1]=4 2516 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|1,0,1]=4 2517 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,1,0,0,0,0|1,0,1]=4 2518 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [1,1,0,0,0,0|1,0,1]=4 2519 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [1,1,0,0,0,0|1,0,1]=4 2520 B8R0.8 C/C=C/CC(=O)C(O)O 1458a_100000233687_100102629194 [1,1,0,0,0,0|1,0,1]=4 2521 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [1,1,0,0,0,0|0,0,1]=3 2522 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [1,1,0,0,0,0|0,0,1]=3 2523 B8R0.8 C/C=C/CN(C)C(C)C 269982a_200000211004_100102629194 [1,1,0,0,0,0|2,0,0]=4 2524 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [1,1,0,0,0,0|0,0,1]=3 2525 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [1,1,0,0,0,0|1,0,1]=4 2526 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [1,1,0,0,0,0|0,0,1]=3 2527 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [1,1,0,0,0,0|1,0,1]=4 2528 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [1,1,0,0,0,0|1,0,1]=4 2529 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [1,1,0,0,0,0|1,0,1]=4 2530 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [1,1,0,0,0,0|1,0,1]=4 2531 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [1,1,0,0,0,0|2,0,0]=4 2532 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [1,1,0,0,0,0|2,0,0]=4 2533 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [1,1,0,0,0,0|1,0,1]=4 2534 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [1,1,0,0,0,0|0,0,1]=3 2535 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [1,1,0,0,0,0|1,0,1]=4 2536 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [1,1,0,0,0,0|1,0,1]=4 2537 B8R0.8 CC(C)N(C)CCCO 2230a_100000182298_200000210301 [1,1,0,0,0,0|1,0,1]=4 2538 B8R0.8 CC(C)N(C)CCCO 2230a_100000213112_100000210206 [1,1,0,0,0,0|1,0,1]=4 2539 B8R0.8 CC(C)N(C)CCCO 269982a_100000182298_200000210301 [1,1,0,0,0,0|1,0,1]=4 2540 B8R0.8 CC(C)N(C)CCCO 269982a_100000213112_100000210206 [1,1,0,0,0,0|1,0,1]=4 2541 B8R0.8 CC(C)N(C)CCCO 269982a_200000211004_100011215043 [1,1,0,0,0,0|1,0,1]=4 2542 B8R0.8 CC(C)N([13CH3])CCCO 2230a_100000182298_200025704644 [1,1,0,0,0,0|1,0,1]=4 2543 B8R0.8 CC(C)N([13CH3])CCCO 269982a_100000182298_200025704644 [1,1,0,0,0,0|1,0,1]=4 2544 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [1,1,0,0,0,0|1,0,1]=4 2545 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [1,1,0,0,0,0|1,0,1]=4 2546 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [1,1,0,0,0,0|1,0,1]=4 2547 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [1,1,0,0,0,0|1,0,1]=4 2548 B8R0.8 CC=CCC(=O)C(O)O 1458a_100000233687_100000070051 [1,1,0,0,0,0|1,0,1]=4 2549 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [1,1,0,0,0,0|0,0,1]=3 2550 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [1,1,0,0,0,0|0,0,1]=3 2551 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [1,1,0,0,0,0|1,0,1]=4 2552 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [1,1,0,0,0,0|1,0,1]=4 2553 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [1,1,0,0,0,0|0,0,1]=3 2554 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [1,1,0,0,0,0|0,0,1]=3 2555 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [1,1,0,0,0,0|1,0,1]=4 2556 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 2557 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 2558 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 2559 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [1,1,0,0,0,0|1,0,0]=3 2560 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [1,1,0,0,0,0|1,0,1]=4 2561 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [1,1,0,0,0,0|1,0,1]=4 2562 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [1,1,0,0,0,0|1,0,1]=4 2563 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [1,1,0,0,0,0|1,0,1]=4 2564 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [1,1,0,0,0,0|1,0,1]=4 2565 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [1,1,0,0,0,0|1,0,1]=4 2566 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [1,1,0,0,0,0|1,0,1]=4 2567 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [1,1,0,0,0,0|1,0,1]=4 2568 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [1,1,0,0,0,0|1,0,1]=4 2569 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [1,1,0,0,0,0|1,0,1]=4 2570 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [1,1,0,0,0,0|2,0,0]=4 2571 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [1,1,0,0,0,0|2,0,0]=4 2572 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [1,1,0,0,0,0|2,0,0]=4 2573 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [1,1,0,0,0,0|2,0,0]=4 2574 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [1,1,0,0,0,0|1,0,1]=4 2575 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [1,1,0,0,0,0|1,0,1]=4 2576 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [1,1,0,0,0,0|1,0,1]=4 2577 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [1,1,0,0,0,0|1,0,1]=4 2578 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [1,1,0,0,0,0|1,0,1]=4 2579 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [1,1,0,0,0,0|1,0,1]=4 2580 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [1,1,0,0,0,0|1,0,1]=4 2581 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [1,1,0,0,0,0|2,0,0]=4 2582 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [1,1,0,0,0,0|2,0,0]=4 2583 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [1,1,0,0,0,0|1,0,1]=4 2584 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [1,1,0,0,0,0|1,0,1]=4 2585 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [1,1,0,0,0,0|1,0,1]=4 2586 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [1,1,0,0,0,0|1,0,1]=4 2587 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [1,1,0,0,0,0|2,0,0]=4 2588 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [1,1,0,0,0,0|1,0,1]=4 2589 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [1,1,0,0,0,0|2,0,0]=4 2590 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [1,1,0,0,0,0|2,0,0]=4 2591 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [1,1,0,0,0,0|2,0,0]=4 2592 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [1,1,0,0,0,0|1,0,1]=4 2593 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [1,1,0,0,0,0|1,0,1]=4 2594 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 2595 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 2596 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 2597 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [1,1,0,0,0,0|2,0,0]=4 2598 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [1,1,0,0,0,0|2,0,0]=4 2599 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [1,1,0,0,0,0|2,0,0]=4 2600 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [1,1,0,0,0,0|2,0,0]=4 2601 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [1,1,0,0,0,0|1,0,1]=4 2602 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [1,1,0,0,0,0|1,0,1]=4 2603 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [1,1,0,0,0,0|1,0,1]=4 2604 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 2605 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 2606 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 2607 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [1,1,0,0,0,0|2,0,0]=4 2608 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [1,1,0,0,0,0|2,0,0]=4 2609 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [1,1,0,0,0,0|2,0,0]=4 2610 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [1,1,0,0,0,0|2,0,0]=4 2611 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [1,1,0,0,0,0|2,0,0]=4 2612 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [1,1,0,0,0,0|2,0,0]=4 2613 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [1,1,0,0,0,0|2,0,0]=4 2614 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [1,1,0,0,0,0|2,0,0]=4 2615 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [1,1,0,0,0,0|2,0,0]=4 2616 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [1,1,0,0,0,0|2,0,0]=4 2617 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [1,1,0,0,0,0|1,0,1]=4 2618 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [1,1,0,0,0,0|1,0,1]=4 2619 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 2620 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 2621 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 2622 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [1,1,0,0,0,0|2,0,0]=4 2623 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [1,1,0,0,0,0|2,0,0]=4 2624 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [1,1,0,0,0,0|1,0,1]=4 2625 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [1,1,0,0,0,0|1,0,1]=4 2626 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 2627 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 2628 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 2629 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [1,1,0,0,0,0|2,0,0]=4 2630 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [1,1,0,0,0,0|2,0,0]=4 2631 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [1,1,0,0,0,0|2,0,0]=4 2632 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [1,1,0,0,0,0|1,0,1]=4 2633 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [1,1,0,0,0,0|1,0,1]=4 2634 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [1,1,0,0,0,0|0,0,2]=4 2635 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,1,0,0,0,0|1,0,1]=4 2636 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [1,1,0,0,0,0|0,0,1]=3 2637 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [1,1,0,0,0,0|1,0,1]=4 2638 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [1,1,0,0,0,0|1,0,1]=4 2639 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [1,1,0,0,0,0|0,0,1]=3 2640 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [1,1,0,0,0,0|2,0,0]=4 2641 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [1,1,0,0,0,0|2,0,0]=4 2642 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [1,1,0,0,0,0|2,0,0]=4 2643 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [1,1,0,0,0,0|2,0,0]=4 2644 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [1,1,0,0,0,0|2,0,0]=4 2645 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [1,1,0,0,0,0|2,0,0]=4 2646 B8R0.9 CC(C)NCC(O)CO 2230a_100138425928_100011219619 [1,1,0,0,0,0|1,0,1]=4 2647 B8R0.9 CC(C)NCC(O)CO 34a_100138425928_100011219619 [1,1,0,0,0,0|1,0,1]=4 2648 B8R0.9 CC(C)NC[C@@H](C)CO 2230a_100138425928_100000059175 [1,1,0,0,0,0|1,0,1]=4 2649 B8R0.9 CC(C)NC[C@@H](C)CO 34a_100138425928_100000059175 [1,1,0,0,0,0|1,0,1]=4 2650 B8R0.9 CC(C)NC[C@@H](F)CO 34a_100015665980_100000210206 [1,1,0,0,0,0|1,0,1]=4 2651 B8R0.9 CC(C)NC[C@@H](O)CO 2230a_100138425928_100009815848 [1,1,0,0,0,0|1,0,1]=4 2652 B8R0.9 CC(C)NC[C@@H](O)CO 34a_100138425928_100009815848 [1,1,0,0,0,0|1,0,1]=4 2653 B8R0.9 CC(C)NC[C@H](O)CO 2230a_100020644852_100000210206 [1,1,0,0,0,0|1,0,1]=4 2654 B8R0.9 CC(C)OCC(O)CO 34a_100000212225_100011219619 [1,1,0,0,0,0|1,0,1]=4 2655 B8R0.9 CC(C)OC[C@@H](C)CO 34a_100000212225_100000059175 [1,1,0,0,0,0|1,0,1]=4 2656 B8R0.9 CC(C)OC[C@@H](O)CO 34a_100000212225_100009815848 [1,1,0,0,0,0|1,0,1]=4 2657 B8R0.9 CC(C)SCC(O)CO 62a_100000210206_100011219619 [1,1,0,0,0,0|1,0,1]=4 2658 B8R0.9 CC(C)SCC(O)CO 62a_100011219619_100000210206 [1,1,0,0,0,0|1,0,1]=4 2659 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000059175_100000210206 [1,1,0,0,0,0|1,0,1]=4 2660 B8R0.9 CC(C)SC[C@@H](C)CO 62a_100000210206_100000059175 [1,1,0,0,0,0|1,0,1]=4 2661 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100000210206_100009815848 [1,1,0,0,0,0|1,0,1]=4 2662 B8R0.9 CC(C)SC[C@@H](O)CO 62a_100009815848_100000210206 [1,1,0,0,0,0|1,0,1]=4 2663 B8R0.9 CC(CO)CNC(C)C 34a_100000744482_100000210206 [1,1,0,0,0,0|1,0,1]=4 2664 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|1,0,1]=4 2665 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,1,0,0,0,0|0,0,1]=3 2666 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,1,0,0,0,0|0,0,1]=3 2667 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|1,0,1]=4 2668 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|1,0,1]=4 2669 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|0,0,1]=3 2670 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,1,0,0,0,0|1,0,1]=4 2671 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,1,0,0,0,0|1,0,1]=4 2672 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,1,0,0,0,0|1,0,1]=4 2673 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [1,1,0,0,0,0|1,0,1]=4 2674 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [1,1,0,0,0,0|1,0,1]=4 2675 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 2676 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 2677 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [1,1,0,0,0,0|2,0,0]=4 2678 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [1,1,0,0,0,0|2,0,0]=4 2679 B8R0.9 CCC(C)CNC(C)C 2230a_100020588543_100000210206 [1,1,0,0,0,0|1,0,1]=4 2680 B8R0.9 CCC(C)CNC(C)C 2230a_100138425928_100000748023 [1,1,0,0,0,0|1,0,1]=4 2681 B8R0.9 CCC(C)CNC(C)C 34a_100138425928_100000748023 [1,1,0,0,0,0|1,0,1]=4 2682 B8R0.9 CCC(C)COC(C)C 34a_100000212225_100000748023 [1,1,0,0,0,0|1,0,1]=4 2683 B8R0.9 CCC(C)CSC(C)C 62a_100000210206_100000748023 [1,1,0,0,0,0|1,0,1]=4 2684 B8R0.9 CCC(C)CSC(C)C 62a_100000748023_100000210206 [1,1,0,0,0,0|1,0,1]=4 2685 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [1,1,0,0,0,0|2,0,0]=4 2686 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [1,1,0,0,0,0|2,0,0]=4 2687 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [1,1,0,0,0,0|2,0,0]=4 2688 B8R0.9 CCC(O)CNC(C)C 2230a_100011218483_100000210206 [1,1,0,0,0,0|1,0,1]=4 2689 B8R0.9 CCC(O)CNC(C)C 2230a_100138425928_100011218378 [1,1,0,0,0,0|1,0,1]=4 2690 B8R0.9 CCC(O)CNC(C)C 34a_100138425928_100011218378 [1,1,0,0,0,0|1,0,1]=4 2691 B8R0.9 CCC(O)COC(C)C 34a_100000212225_100011218378 [1,1,0,0,0,0|1,0,1]=4 2692 B8R0.9 CCC(O)CSC(C)C 62a_100000210206_100011218378 [1,1,0,0,0,0|1,0,1]=4 2693 B8R0.9 CCC(O)CSC(C)C 62a_100011218378_100000210206 [1,1,0,0,0,0|1,0,1]=4 2694 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [1,1,0,0,0,0|1,0,0]=3 2695 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [1,1,0,0,0,0|1,0,0]=3 2696 B8R0.9 CCN(C)CCC(C)O 2230a_100000225621_100012276601 [1,1,0,0,0,0|1,0,1]=4 2697 B8R0.9 CCN(C)CCC(C)O 269982a_100000225621_100012276601 [1,1,0,0,0,0|1,0,1]=4 2698 B8R0.9 CC[C@H](C)CNC(C)C 2230a_100138425928_100009816398 [1,1,0,0,0,0|1,0,1]=4 2699 B8R0.9 CC[C@H](C)CNC(C)C 34a_100138425928_100009816398 [1,1,0,0,0,0|1,0,1]=4 2700 B8R0.9 CC[C@H](C)COC(C)C 34a_100000212225_100009816398 [1,1,0,0,0,0|1,0,1]=4 2701 B8R0.9 CC[C@H](C)COC(C)C 7a_100009816381_100000210206 [1,1,0,0,0,0|1,0,1]=4 2702 B8R0.9 CC[C@H](C)CSC(C)C 62a_100000210206_100009816398 [1,1,0,0,0,0|1,0,1]=4 2703 B8R0.9 CC[C@H](C)CSC(C)C 62a_100009816398_100000210206 [1,1,0,0,0,0|1,0,1]=4 2704 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [1,1,0,0,0,0|1,0,1]=4 2705 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [1,1,0,0,0,0|1,0,1]=4 2706 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [1,1,0,0,0,0|1,0,1]=4 2707 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [1,1,0,0,0,0|1,0,1]=4 2708 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,1,0,0,0,0|2,0,0]=4 2709 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,1,0,0,0,0|2,0,0]=4 2710 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,1,0,0,0,0|2,0,0]=4 2711 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,1,0,0,0,0|2,0,0]=4 2712 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,1,0,0,0,0|1,0,0]=3 2713 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 2714 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 2715 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 2716 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 2717 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [1,1,0,0,0,0|2,0,0]=4 2718 B8R0.21 C/C=C/COC(C)(C)C 34a_100015890283_100102629194 [1,1,0,0,0,0|2,0,0]=4 2719 B8R0.21 C/C=C/COC(C)(C)C 34a_100016270725_100000210625 [1,1,0,0,0,0|2,0,0]=4 2720 B8R0.21 C/C=C/COC(C)(C)C 7a_100015890283_100102629194 [1,1,0,0,0,0|2,0,0]=4 2721 B8R0.21 C/C=C/CSC(C)(C)C 62a_100000211941_100102629194 [1,1,0,0,0,0|2,0,0]=4 2722 B8R0.21 C/C=C/CSC(C)(C)C 62a_100102629194_100000211941 [1,1,0,0,0,0|2,0,0]=4 2723 B8R0.21 CC(C)(C)NCCCO 2230a_100000715429_100000230001 [1,1,0,0,0,0|1,0,1]=4 2724 B8R0.21 CC(C)(C)OCCCO 34a_100015890283_100000230001 [1,1,0,0,0,0|1,0,1]=4 2725 B8R0.21 CC(C)(C)OCCCO 7a_100015890283_100011215043 [1,1,0,0,0,0|1,0,1]=4 2726 B8R0.21 CC(C)(C)SCCCO 62a_100000211941_100011215043 [1,1,0,0,0,0|1,0,1]=4 2727 B8R0.21 CC(C)(C)SCCCO 62a_100011215043_100000211941 [1,1,0,0,0,0|1,0,1]=4 2728 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_100009888830_200025704644 [1,1,0,0,0,0|1,0,1]=4 2729 B8R0.21 CC(C)(O)CCCS[13CH3] 62a_200025704644_100009888830 [1,1,0,0,0,0|1,0,1]=4 2730 B8R0.21 CC=CCNC(C)(C)C 2230a_100000715429_100000070051 [1,1,0,0,0,0|2,0,0]=4 2731 B8R0.21 CC=CCOC(C)(C)C 34a_100015890283_100000070051 [1,1,0,0,0,0|2,0,0]=4 2732 B8R0.21 CC=CCOC(C)(C)C 7a_100015890283_100000070051 [1,1,0,0,0,0|2,0,0]=4 2733 B8R0.21 CC=CCSC(C)(C)C 62a_100000070051_100000211941 [1,1,0,0,0,0|2,0,0]=4 2734 B8R0.21 CC=CCSC(C)(C)C 62a_100000211941_100000070051 [1,1,0,0,0,0|2,0,0]=4 2735 B8R0.21 CCCCNC(C)(C)C 2230a_100000715429_100000210211 [1,1,0,0,0,0|1,0,1]=4 2736 B8R0.21 CCCCOC(C)(C)C 34a_100000210227_100000210625 [1,1,0,0,0,0|1,0,1]=4 2737 B8R0.21 CCCCOC(C)(C)C 34a_100015890283_100000210210 [1,1,0,0,0,0|1,0,1]=4 2738 B8R0.21 CCCCOC(C)(C)C 7a_100015890283_100000210211 [1,1,0,0,0,0|1,0,1]=4 2739 B8R0.21 CCCCSC(C)(C)C 62a_100000210211_100000211941 [1,1,0,0,0,0|1,0,1]=4 2740 B8R0.21 CCCCSC(C)(C)C 62a_100000211941_100000210210 [1,1,0,0,0,0|1,0,1]=4 2741 B8R0.21 CCNCCC(C)(C)O 2230a_100015525214_100000702414 [1,1,0,0,0,0|1,0,1]=4 2742 B8R0.21 CCOCCC(C)(C)O 34a_100121572206_100000702414 [1,1,0,0,0,0|1,0,1]=4 2743 B8R0.21 CCSCCC(C)(C)O 62a_100000210202_100000702414 [1,1,0,0,0,0|1,0,1]=4 2744 B8R0.21 CCSCCC(C)(C)O 62a_100000702414_100000210202 [1,1,0,0,0,0|1,0,1]=4 2745 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [1,1,0,0,0,0|1,0,1]=4 2746 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [1,1,0,0,0,0|1,0,1]=4 2747 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [1,1,0,0,0,0|1,0,1]=4 2748 B8R0.21 COCCCC(C)(C)O 34a_100138415774_100009888830 [1,1,0,0,0,0|1,0,1]=4 2749 B8R0.21 CSCCCC(C)(C)O 62a_100009888830_200000210301 [1,1,0,0,0,0|1,0,1]=4 2750 B8R0.21 CSCCCC(C)(C)O 62a_200000210301_100009888830 [1,1,0,0,0,0|1,0,1]=4 2751 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,1,0,0,1,0|1,0,1]=4 2752 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,1,0,0,1,0|0,0,1]=3 2753 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [0,1,0,0,1,0|0,0,2]=4 2754 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [0,1,0,0,1,0|0,0,2]=4 2755 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,1,0,0,1,0|1,0,1]=4 2756 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,0,0,1,0|2,0,0]=4 2757 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,1,0,0,1,0|2,0,0]=4 2758 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,1,0,0,1,0|2,0,0]=4 2759 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,0,0,1,0|2,0,0]=4 2760 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,1,0,0,1,0|0,0,1]=3 2761 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,1,0,0,1,0|1,0,1]=4 2762 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,1,0,0,1,0|1,0,1]=4 2763 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,1,0,0,1,0|2,0,0]=4 2764 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,1,0,0,1,0|2,0,0]=4 2765 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,1,0,0,1,0|2,0,0]=4 2766 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,1,0,0,1,0|2,0,0]=4 2767 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,1,0,0,1,0|0,0,2]=4 2768 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,1,0,0,1,0|0,0,2]=4 2769 B8R0.23 CC(C)CC(C)N(C)C 2230a_100000745462_200000210301 [0,1,0,0,1,0|2,0,0]=4 2770 B8R0.23 CC(C)CC(C)N(C)C 2230a_100102631434_100000731052 [0,1,0,0,1,0|2,0,0]=4 2771 B8R0.23 CC(C)CC(C)N(C)C 269982a_100000745462_200000210301 [0,1,0,0,1,0|2,0,0]=4 2772 B8R0.23 CC(C)CC(C)N(C)C 269982a_100102631434_100000731052 [0,1,0,0,1,0|2,0,0]=4 2773 B8R0.23 CC(C)CC(C)N(C)[13CH3] 2230a_100000745462_200025704644 [0,1,0,0,1,0|2,0,0]=4 2774 B8R0.23 CC(C)CC(C)N(C)[13CH3] 269982a_100000745462_200025704644 [0,1,0,0,1,0|2,0,0]=4 2775 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,0,0,1,0|2,0,0]=4 2776 B8R0.23 CC(C)N(C)C[C@@H](C)O 269982a_200000211004_100009817552 [0,1,0,0,1,0|1,0,1]=4 2777 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,1,0,0,1,0|0,0,1]=3 2778 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,1,0,0,1,0|1,0,1]=4 2779 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,1,0,0,1,0|1,0,1]=4 2780 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,1,0,0,1,0|1,0,1]=4 2781 B8R0.23 CC(O)CN(C)C(C)C 2230a_100000227577_100000210206 [0,1,0,0,1,0|1,0,1]=4 2782 B8R0.23 CC(O)CN(C)C(C)C 269982a_100000227577_100000210206 [0,1,0,0,1,0|1,0,1]=4 2783 B8R0.23 CC(O)CN(C)C(C)C 269982a_200000211004_100011218427 [0,1,0,0,1,0|1,0,1]=4 2784 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [0,1,0,0,1,0|1,0,0]=3 2785 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,1,0,0,1,0|2,0,0]=4 2786 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,1,0,0,1,0|2,0,0]=4 2787 B8R0.29 CC(=O)CCC(C)(F)F 1458a_100000030992_200000210301 [0,1,0,0,1,0|2,0,0]=4 2788 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,1,0,0,1,0|2,0,0]=4 2789 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,1,0,0,1,0|2,0,0]=4 2790 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,1,0,0,1,0|2,0,0]=4 2791 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,1,0,0,1,0|2,0,0]=4 2792 B8R0.29 CC(C)NCC(C)(C)O 2230a_100000751335_100000210206 [0,1,0,0,1,0|1,0,1]=4 2793 B8R0.29 CC(C)NCC(C)(C)O 34a_100138425928_100000764493 [0,1,0,0,1,0|1,0,1]=4 2794 B8R0.29 CC(C)OCC(C)(C)O 34a_100000212225_100000764493 [0,1,0,0,1,0|1,0,1]=4 2795 B8R0.29 CC(C)SCC(C)(C)O 62a_100000210206_100000764493 [0,1,0,0,1,0|1,0,1]=4 2796 B8R0.29 CC(C)SCC(C)(C)O 62a_100000764493_100000210206 [0,1,0,0,1,0|1,0,1]=4 2797 B8R0.29 CC(F)(F)CCC(=O)[13CH3] 1458a_100000030992_200025704644 [0,1,0,0,1,0|2,0,0]=4 2798 B8R0.29 CC(O)CNC(C)(C)C 2230a_100000715429_100011218427 [0,1,0,0,1,0|1,0,1]=4 2799 B8R0.29 CC(O)CNC(C)(C)C 34a_100000210904_100000210625 [0,1,0,0,1,0|1,0,1]=4 2800 B8R0.29 CC(O)COC(C)(C)C 34a_100015890283_100011218427 [0,1,0,0,1,0|1,0,1]=4 2801 B8R0.29 CC(O)COC(C)(C)C 7a_100015890283_100011218427 [0,1,0,0,1,0|1,0,1]=4 2802 B8R0.29 CC(O)CSC(C)(C)C 62a_100000211941_100011218427 [0,1,0,0,1,0|1,0,1]=4 2803 B8R0.29 CC(O)CSC(C)(C)C 62a_100011218427_100000211941 [0,1,0,0,1,0|1,0,1]=4 2804 B8R0.29 CN(C)CCC(C)(C)C 2230a_100102631434_100000755188 [0,1,0,0,1,0|2,0,0]=4 2805 B8R0.29 CN(C)CCC(C)(C)C 269982a_100102631434_100000755188 [0,1,0,0,1,0|2,0,0]=4 2806 B8R0.29 CN(C)CCC(C)(C)O 2230a_100102631434_100000702414 [0,1,0,0,1,0|1,0,0]=3 2807 B8R0.29 C[C@@H](O)CNC(C)(C)C 2230a_100000715429_100009817552 [0,1,0,0,1,0|1,0,1]=4 2808 B8R0.29 C[C@@H](O)COC(C)(C)C 34a_100015890283_100009817552 [0,1,0,0,1,0|1,0,1]=4 2809 B8R0.29 C[C@@H](O)COC(C)(C)C 7a_100015890283_100009817552 [0,1,0,0,1,0|1,0,1]=4 2810 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100000211941_100009817552 [0,1,0,0,1,0|1,0,1]=4 2811 B8R0.29 C[C@@H](O)CSC(C)(C)C 62a_100009817552_100000211941 [0,1,0,0,1,0|1,0,1]=4 2812 B10R0.15 C=C(C)CCNCC(C)(C)O 2230a_100000751335_100000730704 [0,1,0,0,0,1|0,0,2]=4 2813 B10R0.15 C=C(C)CCOCC(C)(C)O 34a_100000764851_100000764493 [0,1,0,0,0,1|0,0,2]=4 2814 B10R0.15 C=C(C)CCSCC(C)(C)O 62a_100000730704_100000764493 [0,1,0,0,0,1|0,0,2]=4 2815 B10R0.15 C=C(C)CCSCC(C)(C)O 62a_100000764493_100000730704 [0,1,0,0,0,1|0,0,2]=4 2816 B10R0.15 C=C(C)COCCC(C)(C)O 34a_100000210245_100000702414 [0,1,0,0,0,1|0,0,2]=4 2817 B10R0.15 C=C(C)CSCCC(C)(C)O 62a_100000702414_100000211660 [0,1,0,0,0,1|0,0,2]=4 2818 B10R0.15 C=C(C)CSCCC(C)(C)O 62a_100000748629_100000702414 [0,1,0,0,0,1|0,0,2]=4 2819 B10R0.15 CC(=CCCNC(C)(C)C)C 2230a_100000715429_100011217483 [0,1,0,0,0,1|1,0,0]=3 2820 B10R0.15 CC(=CCCOC(C)(C)C)C 34a_100015890283_100011217483 [0,1,0,0,0,1|1,0,0]=3 2821 B10R0.15 CC(=CCCOC(C)(C)C)C 7a_100015890283_100011217483 [0,1,0,0,0,1|1,0,0]=3 2822 B10R0.15 CC(=CCCSC(C)(C)C)C 62a_100000211941_100011217483 [0,1,0,0,0,1|1,0,0]=3 2823 B10R0.15 CC(=CCCSC(C)(C)C)C 62a_100011217483_100000211941 [0,1,0,0,0,1|1,0,0]=3 2824 B10R0.15 CC(=CCCSC(F)(F)F)C 62a_100011217483_200103152311 [0,1,0,0,0,1|2,0,0]=4 2825 B10R0.15 CC(=CCCSC(F)(F)F)C 62a_200000243211_100011217483 [0,1,0,0,0,1|2,0,0]=4 2826 B10R0.15 CC(=CCNCC(C)(C)C)C 2230a_100000743828_100000761012 [0,1,0,0,0,1|1,0,0]=3 2827 B10R0.15 CC(=CCNCC(C)(C)C)C 270004a_100000718196_100011204126 [0,1,0,0,0,1|1,0,0]=3 2828 B10R0.15 CC(=CCNCC(C)(C)C)C 34a_100000718196_100011219605 [0,1,0,0,0,1|1,0,0]=3 2829 B10R0.15 CC(=CCNCC(C)(C)F)C 2230a_100020643315_100000761012 [0,1,0,0,0,1|1,0,0]=3 2830 B10R0.15 CC(=CCNCC(C)(C)F)C 34a_100000718196_100011997219 [0,1,0,0,0,1|1,0,0]=3 2831 B10R0.15 CC(=CCNCC(C)(C)O)C 2230a_100000751335_100000761012 [0,1,0,0,0,1|0,0,0]=2 2832 B10R0.15 CC(=CCNCC(C)(C)O)C 34a_100000718196_100000764493 [0,1,0,0,0,1|0,0,0]=2 2833 B10R0.15 CC(=CCNCC(F)(F)F)C 34a_100000717047_100000761012 [0,1,0,0,0,1|2,0,0]=4 2834 B10R0.15 CC(=CCOCC(C)(C)C)C 34a_100000753907_100011219605 [0,1,0,0,0,1|1,0,0]=3 2835 B10R0.15 CC(=CCOCC(C)(C)F)C 34a_100000716592_100000761012 [0,1,0,0,0,1|1,0,0]=3 2836 B10R0.15 CC(=CCOCC(C)(C)F)C 34a_100000753907_100011997219 [0,1,0,0,0,1|1,0,0]=3 2837 B10R0.15 CC(=CCOCC(C)(C)O)C 34a_100000753907_100000764493 [0,1,0,0,0,1|0,0,0]=2 2838 B10R0.15 CC(=CCOCC(C)(F)F)C 34a_100000068830_100000761012 [0,1,0,0,0,1|1,0,0]=3 2839 B10R0.15 CC(=CCOCC(F)(F)Br)C 34a_100011217949_100000761012 [0,1,0,0,0,1|2,0,0]=4 2840 B10R0.15 CC(=CCOCC(F)(F)Cl)C 34a_100000734434_100000761012 [0,1,0,0,0,1|2,0,0]=4 2841 B10R0.15 CC(=CCOCC(F)(F)F)C 34a_100000210435_100000761012 [0,1,0,0,0,1|2,0,0]=4 2842 B10R0.15 CC(=CCSCC(C)(C)C)C 62a_100000761012_100011219605 [0,1,0,0,0,1|1,0,0]=3 2843 B10R0.15 CC(=CCSCC(C)(C)C)C 62a_100011219605_100000761012 [0,1,0,0,0,1|1,0,0]=3 2844 B10R0.15 CC(=CCSCC(C)(C)F)C 62a_100000761012_100011997219 [0,1,0,0,0,1|1,0,0]=3 2845 B10R0.15 CC(=CCSCC(C)(C)F)C 62a_100011997219_100000761012 [0,1,0,0,0,1|1,0,0]=3 2846 B10R0.15 CC(=CCSCC(C)(C)O)C 62a_100000761012_100000764493 [0,1,0,0,0,1|0,0,0]=2 2847 B10R0.15 CC(=CCSCC(C)(C)O)C 62a_100000764493_100000761012 [0,1,0,0,0,1|0,0,0]=2 2848 B10R0.15 CC(=CCSCC(F)(F)F)C 62a_100000761012_100000763148 [0,1,0,0,0,1|2,0,0]=4 2849 B10R0.15 CC(=CCSCC(F)(F)F)C 62a_100000763148_100000761012 [0,1,0,0,0,1|2,0,0]=4 2850 B10R0.15 CC(=CCSC[N+](C)(C)C)C 62a_100000761012_200000036245 [0,1,0,0,0,1|2,0,0]=4 2851 B10R0.15 CC(=CCSC[N+](C)(C)C)C 62a_200000036245_100000761012 [0,1,0,0,0,1|2,0,0]=4 2852 B10R0.15 CC(=CCSC[Si](C)(C)C)C 62a_100000037933_100000761012 [0,1,0,0,0,1|1,1,0]=4 2853 B10R0.15 CC(=CCSC[Si](C)(C)C)C 62a_100000761012_100000037933 [0,1,0,0,0,1|1,1,0]=4 2854 B10R0.15 CC(=O)CCOCC(C)(C)O 34a_100000759926_100000764493 [0,1,0,0,0,1|1,0,1]=4 2855 B10R0.15 CC(=O)CCOCC(C)(C)O 7a_100000759926_100000764493 [0,1,0,0,0,1|1,0,1]=4 2856 B10R0.15 CC(=O)CCSCC(C)(C)O 62a_100000053229_100000764493 [0,1,0,0,0,1|1,0,1]=4 2857 B10R0.15 CC(=O)CCSCC(C)(C)O 62a_100000764493_100000053229 [0,1,0,0,0,1|1,0,1]=4 2858 B10R0.15 CC(=O)COCCC(C)(C)O 34a_100000211253_100000702414 [0,1,0,0,0,1|1,0,1]=4 2859 B10R0.15 CC(=O)OCSCC(C)(C)O 62a_100000076356_100000764493 [0,1,0,0,0,1|2,0,0]=4 2860 B10R0.15 CC(=O)OCSCC(C)(C)O 62a_100000764493_100000076356 [0,1,0,0,0,1|2,0,0]=4 2861 B10R0.15 CC(C)CCNCC(C)(C)O 2230a_100000751335_100000210312 [0,1,0,0,0,1|0,0,2]=4 2862 B10R0.15 CC(C)CCNCC(C)(C)O 269862a_100000751335_100000185833 [0,1,0,0,0,1|0,0,2]=4 2863 B10R0.15 CC(C)CCOCC(C)(C)O 34a_100000210254_100000764493 [0,1,0,0,0,1|0,0,2]=4 2864 B10R0.15 CC(C)CCOCC(C)(C)O 7a_100000210254_100000764493 [0,1,0,0,0,1|0,0,2]=4 2865 B10R0.15 CC(C)CCSCC(C)(C)O 62a_100000210312_100000764493 [0,1,0,0,0,1|0,0,2]=4 2866 B10R0.15 CC(C)CCSCC(C)(C)O 62a_100000764493_100000210312 [0,1,0,0,0,1|0,0,2]=4 2867 B10R0.15 CC(C)CNCCC(C)(C)O 2230a_100000210953_100000702414 [0,1,0,0,0,1|0,0,2]=4 2868 B10R0.15 CC(C)CNCCC(C)(C)O 270004a_100000707701_100000210432 [0,1,0,0,0,1|0,0,2]=4 2869 B10R0.15 CC(C)CNCCC(C)(C)O 34a_100000210953_100000702414 [0,1,0,0,0,1|0,0,2]=4 2870 B10R0.15 CC(C)COCCC(C)(C)O 34a_100000210257_100000702414 [0,1,0,0,0,1|0,0,2]=4 2871 B10R0.15 CC(C)CSCCC(C)(C)O 62a_100000210624_100000702414 [0,1,0,0,0,1|0,0,2]=4 2872 B10R0.15 CC(C)CSCCC(C)(C)O 62a_100000702414_100000210760 [0,1,0,0,0,1|0,0,2]=4 2873 B10R0.15 CC(C)NCCCC(C)(C)O 2230a_100138425928_100009888830 [0,1,0,0,0,1|0,0,2]=4 2874 B10R0.15 CC(C)NCCCC(C)(C)O 34a_100138425928_100009888830 [0,1,0,0,0,1|0,0,2]=4 2875 B10R0.15 CC(C)OCCCC(C)(C)O 34a_100000212225_100009888830 [0,1,0,0,0,1|0,0,2]=4 2876 B10R0.15 CC(C)OCNCC(C)(C)O 2230a_100000751335_100000709892 [0,1,0,0,0,1|1,0,1]=4 2877 B10R0.15 CC(C)OCSCC(C)(C)O 62a_100000709892_100000764493 [0,1,0,0,0,1|1,0,1]=4 2878 B10R0.15 CC(C)OCSCC(C)(C)O 62a_100000764493_100000709892 [0,1,0,0,0,1|1,0,1]=4 2879 B10R0.15 CC(C)SCCCC(C)(C)O 62a_100000210206_100009888830 [0,1,0,0,0,1|0,0,2]=4 2880 B10R0.15 CC(C)SCCCC(C)(C)O 62a_100009888830_100000210206 [0,1,0,0,0,1|0,0,2]=4 2881 B10R0.15 CC(O)CCCNC(C)(C)C 2230a_100000715429_200000718107 [0,1,0,0,0,1|0,0,2]=4 2882 B10R0.15 CC(O)CCCOC(C)(C)C 34a_100015890283_200000718107 [0,1,0,0,0,1|0,0,2]=4 2883 B10R0.15 CC(O)CCCOC(C)(C)C 7a_100015890283_200000718107 [0,1,0,0,0,1|0,0,2]=4 2884 B10R0.15 CC(O)CCCSC(C)(C)C 62a_100000211941_200000718107 [0,1,0,0,0,1|0,0,2]=4 2885 B10R0.15 CC(O)CCCSC(C)(C)C 62a_200000718107_100000211941 [0,1,0,0,0,1|0,0,2]=4 2886 B10R0.15 CC(O)CCNCC(C)(C)C 2230a_100000743828_100012276601 [0,1,0,0,0,1|0,0,2]=4 2887 B10R0.15 CC(O)CCNCC(C)(C)C 270004a_200000755665_100011204126 [0,1,0,0,0,1|0,0,2]=4 2888 B10R0.15 CC(O)CCNCC(C)(C)F 2230a_100020643315_100012276601 [0,1,0,0,0,1|0,0,2]=4 2889 B10R0.15 CC(O)CCNCC(C)(C)O 2230a_100000751335_100012276601 [0,1,0,0,0,1|0,0,2]=4 2890 B10R0.15 CC(O)CCNC[Si](C)(C)C 2230a_200000755665_100000037933 [0,1,0,0,0,1|0,1,1]=4 2891 B10R0.15 CC(O)CCOCC(C)(C)F 34a_100000716592_100012276601 [0,1,0,0,0,1|0,0,2]=4 2892 B10R0.15 CC(O)CCSCC(C)(C)C 62a_100011219605_100012276601 [0,1,0,0,0,1|0,0,2]=4 2893 B10R0.15 CC(O)CCSCC(C)(C)C 62a_100012276601_100011219605 [0,1,0,0,0,1|0,0,2]=4 2894 B10R0.15 CC(O)CCSCC(C)(C)F 62a_100011997219_100012276601 [0,1,0,0,0,1|0,0,2]=4 2895 B10R0.15 CC(O)CCSCC(C)(C)F 62a_100012276601_100011997219 [0,1,0,0,0,1|0,0,2]=4 2896 B10R0.15 CC(O)CCSCC(C)(C)O 62a_100000764493_100012276601 [0,1,0,0,0,1|0,0,2]=4 2897 B10R0.15 CC(O)CCSCC(C)(C)O 62a_100012276601_100000764493 [0,1,0,0,0,1|0,0,2]=4 2898 B10R0.15 CC(O)CCSC[N+](C)(C)C 62a_100012276601_200000036245 [0,1,0,0,0,1|1,0,1]=4 2899 B10R0.15 CC(O)CCSC[N+](C)(C)C 62a_200000036245_100012276601 [0,1,0,0,0,1|1,0,1]=4 2900 B10R0.15 CC(O)CCSC[Si](C)(C)C 62a_100000037933_100012276601 [0,1,0,0,0,1|0,1,1]=4 2901 B10R0.15 CC(O)CCSC[Si](C)(C)C 62a_100012276601_100000037933 [0,1,0,0,0,1|0,1,1]=4 2902 B10R0.15 CC(O)CNCCC(C)(C)C 2230a_100000210904_100000755188 [0,1,0,0,0,1|0,0,2]=4 2903 B10R0.15 CC(O)CNCCC(C)(C)C 2230a_100000738805_100011218427 [0,1,0,0,0,1|0,0,2]=4 2904 B10R0.15 CC(O)CNCCC(C)(C)C 34a_100000210904_100000755188 [0,1,0,0,0,1|0,0,2]=4 2905 B10R0.15 CC(O)CNCCC(C)(C)F 2230a_100016253952_100011218427 [0,1,0,0,0,1|0,0,2]=4 2906 B10R0.15 CC(O)CNCCC(C)(C)O 2230a_100000210904_100000702414 [0,1,0,0,0,1|0,0,2]=4 2907 B10R0.15 CC(O)CNCCC(C)(C)O 34a_100000210904_100000702414 [0,1,0,0,0,1|0,0,2]=4 2908 B10R0.15 CC(O)CNCC[N+](C)(C)C 34a_100000210904_100000085578 [0,1,0,0,0,1|1,0,1]=4 2909 B10R0.15 CC(O)CNCC[Si](C)(C)C 2230a_100000210904_200000733723 [0,1,0,0,0,1|0,1,1]=4 2910 B10R0.15 CC(O)CNCC[Si](C)(C)C 34a_100000210904_200000733723 [0,1,0,0,0,1|0,1,1]=4 2911 B10R0.15 CC(O)COCCC(C)(C)C 7a_100000765024_100011218427 [0,1,0,0,0,1|0,0,2]=4 2912 B10R0.15 CC(O)COCC[N+](C)(C)C 7a_200020618287_100011218427 [0,1,0,0,0,1|1,0,1]=4 2913 B10R0.15 CC(O)COCC[Si](C)(C)C 7a_100000039746_100011218427 [0,1,0,0,0,1|0,1,1]=4 2914 B10R0.15 CC(O)CSCCC(C)(C)C 62a_100000755188_100011218427 [0,1,0,0,0,1|0,0,2]=4 2915 B10R0.15 CC(O)CSCCC(C)(C)C 62a_100011218427_100000755188 [0,1,0,0,0,1|0,0,2]=4 2916 B10R0.15 CC(O)CSCCC(C)(C)O 62a_100000702414_100011218427 [0,1,0,0,0,1|0,0,2]=4 2917 B10R0.15 CC(O)CSCCC(C)(C)O 62a_100011218427_100000702414 [0,1,0,0,0,1|0,0,2]=4 2918 B10R0.15 CC(O)CSCC[N+](C)(C)C 62a_100000085578_100011218427 [0,1,0,0,0,1|1,0,1]=4 2919 B10R0.15 CC(O)CSCC[N+](C)(C)C 62a_100011218427_100000085578 [0,1,0,0,0,1|1,0,1]=4 2920 B10R0.15 CC(O)CSCC[Si](C)(C)C 62a_100011218427_200000733723 [0,1,0,0,0,1|0,1,1]=4 2921 B10R0.15 CC(O)CSCC[Si](C)(C)C 62a_200000733723_100011218427 [0,1,0,0,0,1|0,1,1]=4 2922 B10R0.15 CN(C)CCSCC(C)(C)O 62a_100000764493_100000755713 [0,1,0,0,0,1|1,0,1]=4 2923 B10R0.15 C[C@@H](O)CNCCC(C)(C)C 2230a_100000738805_100009817552 [0,1,0,0,0,1|0,0,2]=4 2924 B10R0.15 C[C@@H](O)CNCCC(C)(C)F 2230a_100016253952_100009817552 [0,1,0,0,0,1|0,0,2]=4 2925 B10R0.15 C[C@@H](O)COCCC(C)(C)C 7a_100000765024_100009817552 [0,1,0,0,0,1|0,0,2]=4 2926 B10R0.15 C[C@@H](O)COCC[N+](C)(C)C 7a_200020618287_100009817552 [0,1,0,0,0,1|1,0,1]=4 2927 B10R0.15 C[C@@H](O)COCC[Si](C)(C)C 7a_100000039746_100009817552 [0,1,0,0,0,1|0,1,1]=4 2928 B10R0.15 C[C@@H](O)CSCCC(C)(C)C 62a_100000755188_100009817552 [0,1,0,0,0,1|0,0,2]=4 2929 B10R0.15 C[C@@H](O)CSCCC(C)(C)C 62a_100009817552_100000755188 [0,1,0,0,0,1|0,0,2]=4 2930 B10R0.15 C[C@@H](O)CSCCC(C)(C)O 62a_100000702414_100009817552 [0,1,0,0,0,1|0,0,2]=4 2931 B10R0.15 C[C@@H](O)CSCCC(C)(C)O 62a_100009817552_100000702414 [0,1,0,0,0,1|0,0,2]=4 2932 B10R0.15 C[C@@H](O)CSCC[N+](C)(C)C 62a_100000085578_100009817552 [0,1,0,0,0,1|1,0,1]=4 2933 B10R0.15 C[C@@H](O)CSCC[N+](C)(C)C 62a_100009817552_100000085578 [0,1,0,0,0,1|1,0,1]=4 2934 B10R0.15 C[C@@H](O)CSCC[Si](C)(C)C 62a_100009817552_200000733723 [0,1,0,0,0,1|0,1,1]=4 2935 B10R0.15 C[C@@H](O)CSCC[Si](C)(C)C 62a_200000733723_100009817552 [0,1,0,0,0,1|0,1,1]=4 2936 B10R0.55 C#C/C(=C\COCC(C)C)/C 34a_100016990848_100000210624 [0,1,0,0,0,1|1,0,1]=4 2937 B10R0.55 C#C/C(=C\COCC(C)O)/C 34a_100016990848_100011218427 [0,1,0,0,0,1|0,0,1]=3 2938 B10R0.55 C#C/C(=C\COC[C@@H](C)O)/C 34a_100016990848_100009817552 [0,1,0,0,0,1|0,0,1]=3 2939 B10R0.55 C#CC(C)NCCC=C(C)C 2230a_100000707721_100011217483 [0,1,0,0,0,1|1,0,0]=3 2940 B10R0.55 C#CC(C)NCCC=C(C)C 34a_100000707721_100011217483 [0,1,0,0,0,1|1,0,0]=3 2941 B10R0.55 C#CC(C)SCCC=C(C)C 62a_200000035995_100011217483 [0,1,0,0,0,1|1,0,0]=3 2942 B10R0.55 C#C[C@@H](C)OCCC=C(C)C 34a_100009815206_100011217483 [0,1,0,0,0,1|1,0,0]=3 2943 B10R0.55 C#C[C@@H](C)OCCC=C(C)C 7a_100009815206_100011217483 [0,1,0,0,0,1|1,0,0]=3 2944 B10R0.55 C/C(=C/N)/C=NNCC(C)O 4a_200000730056_100050415766 [0,1,0,0,0,1|1,0,1]=4 2945 B10R0.55 C/C=C(\C)/C=NNCC(C)O 4a_200000730056_100020587592 [0,1,0,0,0,1|1,0,0]=3 2946 B10R0.55 C=C(C)C=NNCC(O)CC 4a_100015206393_100000210575 [0,1,0,0,0,1|1,0,1]=4 2947 B10R0.55 C=C(C)CCNCC(C)CO 34a_100000744482_100000730704 [0,1,0,0,0,1|0,0,2]=4 2948 B10R0.55 C=C(C)CCNCC(O)CC 2230a_100011218483_100000730704 [0,1,0,0,0,1|0,0,2]=4 2949 B10R0.55 C=C(C)CCNC[C@@H](C)OC 2230a_100020591295_100000730704 [0,1,0,0,0,1|0,0,2]=4 2950 B10R0.55 C=C(C)CCNC[C@H](O)CO 2230a_100020644852_100000730704 [0,1,0,0,0,1|0,0,2]=4 2951 B10R0.55 C=C(C)CCOCC(C)OC 34a_100000690652_100000730704 [0,1,0,0,0,1|0,0,2]=4 2952 B10R0.55 C=C(C)CCOCC(O)CC 34a_100000764851_100011218378 [0,1,0,0,0,1|0,0,2]=4 2953 B10R0.55 C=C(C)CCOCC(O)CO 34a_100000764851_100011219619 [0,1,0,0,0,1|0,0,2]=4 2954 B10R0.55 C=C(C)CCOC[C@@H](C)CO 34a_100000764851_100000059175 [0,1,0,0,0,1|0,0,2]=4 2955 B10R0.55 C=C(C)CCOC[C@@H](O)CF 34a_100000764851_100015614560 [0,1,0,0,0,1|0,0,2]=4 2956 B10R0.55 C=C(C)CCOC[C@@H](O)CO 34a_100000764851_100009815848 [0,1,0,0,0,1|0,0,2]=4 2957 B10R0.55 C=C(C)CCSCC(O)CC 62a_100000730704_100011218378 [0,1,0,0,0,1|0,0,2]=4 2958 B10R0.55 C=C(C)CCSCC(O)CC 62a_100011218378_100000730704 [0,1,0,0,0,1|0,0,2]=4 2959 B10R0.55 C=C(C)CCSCC(O)CO 62a_100000730704_100011219619 [0,1,0,0,0,1|0,0,2]=4 2960 B10R0.55 C=C(C)CCSCC(O)CO 62a_100011219619_100000730704 [0,1,0,0,0,1|0,0,2]=4 2961 B10R0.55 C=C(C)CCSC[C@@H](C)CO 62a_100000059175_100000730704 [0,1,0,0,0,1|0,0,2]=4 2962 B10R0.55 C=C(C)CCSC[C@@H](C)CO 62a_100000730704_100000059175 [0,1,0,0,0,1|0,0,2]=4 2963 B10R0.55 C=C(C)CCSC[C@@H](O)CF 62a_100000730704_100015614560 [0,1,0,0,0,1|0,0,2]=4 2964 B10R0.55 C=C(C)CCSC[C@@H](O)CF 62a_100015614560_100000730704 [0,1,0,0,0,1|0,0,2]=4 2965 B10R0.55 C=C(C)CCSC[C@@H](O)CO 62a_100000730704_100009815848 [0,1,0,0,0,1|0,0,2]=4 2966 B10R0.55 C=C(C)CCSC[C@@H](O)CO 62a_100009815848_100000730704 [0,1,0,0,0,1|0,0,2]=4 2967 B10R0.55 C=C(C)CNCCC(C)CO 2230a_106354213184_100000748629 [0,1,0,0,0,1|0,0,2]=4 2968 B10R0.55 C=C(C)CNCCC(C)CO 34a_106354213184_100000748629 [0,1,0,0,0,1|0,0,2]=4 2969 B10R0.55 C=C(C)COCCC(C)OC 7a_100000764861_100000748629 [0,1,0,0,0,1|0,0,2]=4 2970 B10R0.55 C=CC(C)COCC=C(C)C 34a_100011215527_100000761012 [0,1,0,0,0,1|1,0,0]=3 2971 B10R0.55 C=CC(C)COCC=C(C)C 7a_100011215527_100000761012 [0,1,0,0,0,1|1,0,0]=3 2972 B10R0.55 C=CC(C)OCCC=C(C)C 34a_100000695699_100011217483 [0,1,0,0,0,1|1,0,0]=3 2973 B10R0.55 C=CC(C)SCCC=C(C)C 62a_100011215867_100011217483 [0,1,0,0,0,1|1,0,0]=3 2974 B10R0.55 C=CC(O)CNCC=C(C)C 34a_100000718196_100000730141 [0,1,0,0,0,1|0,0,1]=3 2975 B10R0.55 C=CC(O)COCC=C(C)C 34a_100000753907_100000730141 [0,1,0,0,0,1|0,0,1]=3 2976 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000730141_100000761012 [0,1,0,0,0,1|0,0,1]=3 2977 B10R0.55 C=CC(O)CSCC=C(C)C 62a_100000761012_100000730141 [0,1,0,0,0,1|0,0,1]=3 2978 B10R0.55 C=C[C@H](N)COCC=C(C)C 34a_100016989147_100000761012 [0,1,0,0,0,1|1,0,1]=4 2979 B10R0.55 CC(=CCCNC(C)C#N)C 2230a_100000737613_100011217483 [0,1,0,0,0,1|1,0,0]=3 2980 B10R0.55 CC(=CCCN[C@H](C)CO)C 2230a_100000737577_100011217483 [0,1,0,0,0,1|0,0,0]=2 2981 B10R0.55 CC(=CCCOC(C)C#N)C 34a_100011218135_100011217483 [0,1,0,0,0,1|1,0,0]=3 2982 B10R0.55 CC(=CCCOC(C)CF)C 34a_100016041109_100011217483 [0,1,0,0,0,1|1,0,0]=3 2983 B10R0.55 CC(=CCCOC(C)CF)C 7a_100016041109_100011217483 [0,1,0,0,0,1|1,0,0]=3 2984 B10R0.55 CC(=CCCOC(C)CN)C 34a_100000210904_100011217483 [0,1,0,0,0,1|1,0,0]=3 2985 B10R0.55 CC(=CCCSC(C)C#N)C 62a_100000703298_100011217483 [0,1,0,0,0,1|1,0,0]=3 2986 B10R0.55 CC(=CCCSC(C)C#N)C 62a_100011217483_100000703298 [0,1,0,0,0,1|1,0,0]=3 2987 B10R0.55 CC(=CCCSC(C)CO)C 62a_100012180447_100011217483 [0,1,0,0,0,1|0,0,0]=2 2988 B10R0.55 CC(=CCCSC(F)C#N)C 62a_100011217483_200000117898 [0,1,0,0,0,1|1,0,1]=4 2989 B10R0.55 CC(=CCCSC(F)C#N)C 62a_200000117898_100011217483 [0,1,0,0,0,1|1,0,1]=4 2990 B10R0.55 CC(=CCCS[C@H](C)CO)C 62a_100011217483_100016084084 [0,1,0,0,0,1|0,0,0]=2 2991 B10R0.55 CC(=CCCS[C@H](C)CO)C 62a_100016084084_100011217483 [0,1,0,0,0,1|0,0,0]=2 2992 B10R0.55 CC(=CCNCC(C)CO)C 34a_100000744482_100000761012 [0,1,0,0,0,1|0,0,0]=2 2993 B10R0.55 CC(=CCNCC(O)CO)C 34a_100000718196_100011219619 [0,1,0,0,0,1|0,0,0]=2 2994 B10R0.55 CC(=CCNC[C@@H](C)CO)C 34a_100000718196_100000059175 [0,1,0,0,0,1|0,0,0]=2 2995 B10R0.55 CC(=CCNC[C@@H](F)CO)C 34a_100015665980_100000761012 [0,1,0,0,0,1|1,0,0]=3 2996 B10R0.55 CC(=CCNC[C@@H](O)CF)C 34a_100000718196_100015614560 [0,1,0,0,0,1|0,0,0]=2 2997 B10R0.55 CC(=CCNC[C@@H](O)CO)C 34a_100000718196_100009815848 [0,1,0,0,0,1|0,0,0]=2 2998 B10R0.55 CC(=CCNC[C@H](O)CO)C 2230a_100020644852_100000761012 [0,1,0,0,0,1|0,0,0]=2 2999 B10R0.55 CC(=CCOCC(C)CN)C 34a_100000744482_100000761012 [0,1,0,0,0,1|1,0,0]=3 3000 B10R0.55 CC(=CCOCC(Cl)CCl)C 34a_100000033668_100000761012 [0,1,0,0,0,1|1,0,0]=3 3001 B10R0.55 CC(=CCOCC(O)CO)C 34a_100000753907_100011219619 [0,1,0,0,0,1|0,0,0]=2 3002 B10R0.55 CC(=CCOC[C@@H](C)CO)C 34a_100000753907_100000059175 [0,1,0,0,0,1|0,0,0]=2 3003 B10R0.55 CC(=CCOC[C@@H](O)CF)C 34a_100000753907_100015614560 [0,1,0,0,0,1|0,0,0]=2 3004 B10R0.55 CC(=CCOC[C@@H](O)CO)C 34a_100000753907_100009815848 [0,1,0,0,0,1|0,0,0]=2 3005 B10R0.55 CC(=CCOC[C@H](F)CN)C 34a_100015665980_100000761012 [0,1,0,0,0,1|1,0,0]=3 3006 B10R0.55 CC(=CCSCC(O)CO)C 62a_100000761012_100011219619 [0,1,0,0,0,1|0,0,0]=2 3007 B10R0.55 CC(=CCSCC(O)CO)C 62a_100011219619_100000761012 [0,1,0,0,0,1|0,0,0]=2 3008 B10R0.55 CC(=CCSC[C@@H](C)CO)C 62a_100000059175_100000761012 [0,1,0,0,0,1|0,0,0]=2 3009 B10R0.55 CC(=CCSC[C@@H](C)CO)C 62a_100000761012_100000059175 [0,1,0,0,0,1|0,0,0]=2 3010 B10R0.55 CC(=CCSC[C@@H](O)CF)C 62a_100000761012_100015614560 [0,1,0,0,0,1|0,0,0]=2 3011 B10R0.55 CC(=CCSC[C@@H](O)CF)C 62a_100015614560_100000761012 [0,1,0,0,0,1|0,0,0]=2 3012 B10R0.55 CC(=CCSC[C@@H](O)CO)C 62a_100000761012_100009815848 [0,1,0,0,0,1|0,0,0]=2 3013 B10R0.55 CC(=CCSC[C@@H](O)CO)C 62a_100009815848_100000761012 [0,1,0,0,0,1|0,0,0]=2 3014 B10R0.55 CC(=O)CCCOC(C)CO 34a_100000759063_100012180447 [0,1,0,0,0,1|1,0,1]=4 3015 B10R0.55 CC(=O)CCCOC(C)CO 7a_100000759063_100012180447 [0,1,0,0,0,1|1,0,1]=4 3016 B10R0.55 CC(=O)CCCSC(C)CO 62a_100012180447_100011215641 [0,1,0,0,0,1|1,0,1]=4 3017 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100011215641_100016084084 [0,1,0,0,0,1|1,0,1]=4 3018 B10R0.55 CC(=O)CCCS[C@H](C)CO 62a_100016084084_100011215641 [0,1,0,0,0,1|1,0,1]=4 3019 B10R0.55 CC(=O)CCOCC(O)CO 34a_100000759926_100011219619 [0,1,0,0,0,1|1,0,1]=4 3020 B10R0.55 CC(=O)CCOCC(O)CO 7a_100000759926_100011219619 [0,1,0,0,0,1|1,0,1]=4 3021 B10R0.55 CC(=O)CCOC[C@@H](C)CO 34a_100000759926_100000059175 [0,1,0,0,0,1|1,0,1]=4 3022 B10R0.55 CC(=O)CCOC[C@@H](C)CO 7a_100000759926_100000059175 [0,1,0,0,0,1|1,0,1]=4 3023 B10R0.55 CC(=O)CCOC[C@@H](O)CF 34a_100000759926_100015614560 [0,1,0,0,0,1|1,0,1]=4 3024 B10R0.55 CC(=O)CCOC[C@@H](O)CF 7a_100000759926_100015614560 [0,1,0,0,0,1|1,0,1]=4 3025 B10R0.55 CC(=O)CCOC[C@@H](O)CO 34a_100000759926_100009815848 [0,1,0,0,0,1|1,0,1]=4 3026 B10R0.55 CC(=O)CCOC[C@@H](O)CO 7a_100000759926_100009815848 [0,1,0,0,0,1|1,0,1]=4 3027 B10R0.55 CC(=O)CCSCC(O)CO 62a_100000053229_100011219619 [0,1,0,0,0,1|1,0,1]=4 3028 B10R0.55 CC(=O)CCSCC(O)CO 62a_100011219619_100000053229 [0,1,0,0,0,1|1,0,1]=4 3029 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000053229_100000059175 [0,1,0,0,0,1|1,0,1]=4 3030 B10R0.55 CC(=O)CCSC[C@@H](C)CO 62a_100000059175_100000053229 [0,1,0,0,0,1|1,0,1]=4 3031 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100000053229_100015614560 [0,1,0,0,0,1|1,0,1]=4 3032 B10R0.55 CC(=O)CCSC[C@@H](O)CF 62a_100015614560_100000053229 [0,1,0,0,0,1|1,0,1]=4 3033 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100000053229_100009815848 [0,1,0,0,0,1|1,0,1]=4 3034 B10R0.55 CC(=O)CCSC[C@@H](O)CO 62a_100009815848_100000053229 [0,1,0,0,0,1|1,0,1]=4 3035 B10R0.55 CC(=O)NCCNC(C)CO 2230a_100000209853_100012180447 [0,1,0,0,0,1|2,0,0]=4 3036 B10R0.55 CC(=O)NCCN[C@H](C)CO 2230a_100000737577_100000189650 [0,1,0,0,0,1|2,0,0]=4 3037 B10R0.55 CC(=O)NCCOC(C)CO 34a_100000158858_100012180447 [0,1,0,0,0,1|2,0,0]=4 3038 B10R0.55 CC(=O)NCCSC(C)CO 62a_100012180447_100000189650 [0,1,0,0,0,1|2,0,0]=4 3039 B10R0.55 CC(=O)NCCS[C@H](C)CO 62a_100000189650_100016084084 [0,1,0,0,0,1|2,0,0]=4 3040 B10R0.55 CC(=O)NCCS[C@H](C)CO 62a_100016084084_100000189650 [0,1,0,0,0,1|2,0,0]=4 3041 B10R0.55 CC(=O)OCCSC(C)CO 62a_100012180447_100009814007 [0,1,0,0,0,1|2,0,0]=4 3042 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100009814007_100016084084 [0,1,0,0,0,1|2,0,0]=4 3043 B10R0.55 CC(=O)OCCS[C@H](C)CO 62a_100016084084_100009814007 [0,1,0,0,0,1|2,0,0]=4 3044 B10R0.55 CC(=O)OCNCC(C)CO 34a_100000744482_100009813279 [0,1,0,0,0,1|2,0,0]=4 3045 B10R0.55 CC(=O)OCSCC(O)CO 62a_100000076356_100011219619 [0,1,0,0,0,1|2,0,0]=4 3046 B10R0.55 CC(=O)OCSCC(O)CO 62a_100011219619_100000076356 [0,1,0,0,0,1|2,0,0]=4 3047 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000059175_100000076356 [0,1,0,0,0,1|2,0,0]=4 3048 B10R0.55 CC(=O)OCSC[C@@H](C)CO 62a_100000076356_100000059175 [0,1,0,0,0,1|2,0,0]=4 3049 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100000076356_100015614560 [0,1,0,0,0,1|2,0,0]=4 3050 B10R0.55 CC(=O)OCSC[C@@H](O)CF 62a_100015614560_100000076356 [0,1,0,0,0,1|2,0,0]=4 3051 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100000076356_100009815848 [0,1,0,0,0,1|2,0,0]=4 3052 B10R0.55 CC(=O)OCSC[C@@H](O)CO 62a_100009815848_100000076356 [0,1,0,0,0,1|2,0,0]=4 3053 B10R0.55 CC(C)CCCNC(C)CO 2230a_200000737386_100012180447 [0,1,0,0,0,1|0,0,2]=4 3054 B10R0.55 CC(C)CCCNC(C)CO 34a_200000737386_100012180447 [0,1,0,0,0,1|0,0,2]=4 3055 B10R0.55 CC(C)CCCN[C@H](C)CO 2230a_100000737577_100011214892 [0,1,0,0,0,1|0,0,2]=4 3056 B10R0.55 CC(C)CCCOC(C)CO 34a_100000210774_100012180447 [0,1,0,0,0,1|0,0,2]=4 3057 B10R0.55 CC(C)CCCOC(C)CO 7a_100000210774_100012180447 [0,1,0,0,0,1|0,0,2]=4 3058 B10R0.55 CC(C)CCCSC(C)CO 62a_100012180447_100011214892 [0,1,0,0,0,1|0,0,2]=4 3059 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100011214892_100016084084 [0,1,0,0,0,1|0,0,2]=4 3060 B10R0.55 CC(C)CCCS[C@H](C)CO 62a_100016084084_100011214892 [0,1,0,0,0,1|0,0,2]=4 3061 B10R0.55 CC(C)CCNCC(C)CO 269862a_100000744482_100000185833 [0,1,0,0,0,1|0,0,2]=4 3062 B10R0.55 CC(C)CCNCC(C)CO 34a_100000744482_100000210312 [0,1,0,0,0,1|0,0,2]=4 3063 B10R0.55 CC(C)CCNC[C@H](O)CO 2230a_100020644852_100000210312 [0,1,0,0,0,1|0,0,2]=4 3064 B10R0.55 CC(C)CCNC[C@H](O)CO 269862a_100020644852_100000185833 [0,1,0,0,0,1|0,0,2]=4 3065 B10R0.55 CC(C)CCOCC(O)CO 34a_100000210254_100011219619 [0,1,0,0,0,1|0,0,2]=4 3066 B10R0.55 CC(C)CCOCC(O)CO 7a_100000210254_100011219619 [0,1,0,0,0,1|0,0,2]=4 3067 B10R0.55 CC(C)CCOC[C@@H](C)CO 34a_100000210254_100000059175 [0,1,0,0,0,1|0,0,2]=4 3068 B10R0.55 CC(C)CCOC[C@@H](C)CO 7a_100000210254_100000059175 [0,1,0,0,0,1|0,0,2]=4 3069 B10R0.55 CC(C)CCOC[C@@H](O)CF 34a_100000210254_100015614560 [0,1,0,0,0,1|0,0,2]=4 3070 B10R0.55 CC(C)CCOC[C@@H](O)CF 7a_100000210254_100015614560 [0,1,0,0,0,1|0,0,2]=4 3071 B10R0.55 CC(C)CCOC[C@@H](O)CO 34a_100000210254_100009815848 [0,1,0,0,0,1|0,0,2]=4 3072 B10R0.55 CC(C)CCOC[C@@H](O)CO 7a_100000210254_100009815848 [0,1,0,0,0,1|0,0,2]=4 3073 B10R0.55 CC(C)CCSCC(O)CO 62a_100000210312_100011219619 [0,1,0,0,0,1|0,0,2]=4 3074 B10R0.55 CC(C)CCSCC(O)CO 62a_100011219619_100000210312 [0,1,0,0,0,1|0,0,2]=4 3075 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000059175_100000210312 [0,1,0,0,0,1|0,0,2]=4 3076 B10R0.55 CC(C)CCSC[C@@H](C)CO 62a_100000210312_100000059175 [0,1,0,0,0,1|0,0,2]=4 3077 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100000210312_100015614560 [0,1,0,0,0,1|0,0,2]=4 3078 B10R0.55 CC(C)CCSC[C@@H](O)CF 62a_100015614560_100000210312 [0,1,0,0,0,1|0,0,2]=4 3079 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100000210312_100009815848 [0,1,0,0,0,1|0,0,2]=4 3080 B10R0.55 CC(C)CCSC[C@@H](O)CO 62a_100009815848_100000210312 [0,1,0,0,0,1|0,0,2]=4 3081 B10R0.55 CC(C)CNCCC(C)CO 2230a_106354213184_100000210760 [0,1,0,0,0,1|0,0,2]=4 3082 B10R0.55 CC(C)CNCCC(C)CO 270004a_106354213184_100000210432 [0,1,0,0,0,1|0,0,2]=4 3083 B10R0.55 CC(C)CNCCC(C)CO 34a_106354213184_100000210624 [0,1,0,0,0,1|0,0,2]=4 3084 B10R0.55 CC(C)NCCOC(C)CO 34a_100000224655_100012180447 [0,1,0,0,0,1|1,0,1]=4 3085 B10R0.55 CC(C)OCCN[C@H](C)CO 2230a_100000737577_100000211751 [0,1,0,0,0,1|1,0,1]=4 3086 B10R0.55 CC(C)OCCOC(C)CO 34a_100000211219_100012180447 [0,1,0,0,0,1|1,0,1]=4 3087 B10R0.55 CC(C)OCCOC(C)CO 7a_100000211219_100012180447 [0,1,0,0,0,1|1,0,1]=4 3088 B10R0.55 CC(C)OCCSC(C)CO 62a_100012180447_100000211751 [0,1,0,0,0,1|1,0,1]=4 3089 B10R0.55 CC(C)OCCS[C@H](C)CO 62a_100000211751_100016084084 [0,1,0,0,0,1|1,0,1]=4 3090 B10R0.55 CC(C)OCCS[C@H](C)CO 62a_100016084084_100000211751 [0,1,0,0,0,1|1,0,1]=4 3091 B10R0.55 CC(C)OCNC[C@H](O)CO 2230a_100020644852_100000709892 [0,1,0,0,0,1|1,0,1]=4 3092 B10R0.55 CC(C)OCSCC(O)CO 62a_100000709892_100011219619 [0,1,0,0,0,1|1,0,1]=4 3093 B10R0.55 CC(C)OCSCC(O)CO 62a_100011219619_100000709892 [0,1,0,0,0,1|1,0,1]=4 3094 B10R0.55 CC(C)OCSC[C@@H](C)CO 62a_100000059175_100000709892 [0,1,0,0,0,1|1,0,1]=4 3095 B10R0.55 CC(C)OCSC[C@@H](C)CO 62a_100000709892_100000059175 [0,1,0,0,0,1|1,0,1]=4 3096 B10R0.55 CC(C)OCSC[C@@H](O)CF 62a_100000709892_100015614560 [0,1,0,0,0,1|1,0,1]=4 3097 B10R0.55 CC(C)OCSC[C@@H](O)CF 62a_100015614560_100000709892 [0,1,0,0,0,1|1,0,1]=4 3098 B10R0.55 CC(C)OCSC[C@@H](O)CO 62a_100000709892_100009815848 [0,1,0,0,0,1|1,0,1]=4 3099 B10R0.55 CC(C)OCSC[C@@H](O)CO 62a_100009815848_100000709892 [0,1,0,0,0,1|1,0,1]=4 3100 B10R0.55 CC(C)SCCN[C@H](C)CO 2230a_100000737577_100000730970 [0,1,0,0,0,1|1,0,1]=4 3101 B10R0.55 CC(C)SCCSC(C)CO 62a_100012180447_100000730970 [0,1,0,0,0,1|1,0,1]=4 3102 B10R0.55 CC(C)SCCS[C@H](C)CO 62a_100000730970_100016084084 [0,1,0,0,0,1|1,0,1]=4 3103 B10R0.55 CC(C)SCCS[C@H](C)CO 62a_100016084084_100000730970 [0,1,0,0,0,1|1,0,1]=4 3104 B10R0.55 CC(CO)CCNC[C@@H](C)O 2230a_106354213184_100009817552 [0,1,0,0,0,1|0,0,2]=4 3105 B10R0.55 CC(CO)CCNC[C@@H](C)O 34a_106354213184_100009817552 [0,1,0,0,0,1|0,0,2]=4 3106 B10R0.55 CC(CO)CNCOC(C)C 34a_100000744482_100000709892 [0,1,0,0,0,1|1,0,1]=4 3107 B10R0.55 CC(CO)NCCOC(C)C 2230a_100000701111_100012180447 [0,1,0,0,0,1|1,0,1]=4 3108 B10R0.55 CC(CO)NCCOC(C)C 34a_100000701111_100012180447 [0,1,0,0,0,1|1,0,1]=4 3109 B10R0.55 CC(CO)NCCSC(C)C 2230a_100000731138_100012180447 [0,1,0,0,0,1|1,0,1]=4 3110 B10R0.55 CC(CO)NCCSC(C)C 34a_100000731138_100012180447 [0,1,0,0,0,1|1,0,1]=4 3111 B10R0.55 CC(CO)OCCSC(C)C 34a_200011212901_100012180447 [0,1,0,0,0,1|1,0,1]=4 3112 B10R0.55 CC(CO)OCCSC(C)C 7a_200011212901_100012180447 [0,1,0,0,0,1|1,0,1]=4 3113 B10R0.55 CC(CO)SCCC=C(F)F 62a_100012180447_200009816681 [0,1,0,0,0,1|2,0,0]=4 3114 B10R0.55 CC(CO)SCCCN(C)C 62a_100012180447_100000757444 [0,1,0,0,0,1|1,0,1]=4 3115 B10R0.55 CC(O)CCCN[C@H](C)CO 2230a_100000737577_200000718107 [0,1,0,0,0,1|0,0,2]=4 3116 B10R0.55 CC(O)CCCOC(C)CF 34a_100016041109_200000718107 [0,1,0,0,0,1|0,0,2]=4 3117 B10R0.55 CC(O)CCCOC(C)CF 7a_100016041109_200000718107 [0,1,0,0,0,1|0,0,2]=4 3118 B10R0.55 CC(O)CCCOC(C)CN 34a_100000210904_200000718107 [0,1,0,0,0,1|0,0,2]=4 3119 B10R0.55 CC(O)CCCSC(C)CO 62a_100012180447_200000718107 [0,1,0,0,0,1|0,0,2]=4 3120 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_100016084084_200000718107 [0,1,0,0,0,1|0,0,2]=4 3121 B10R0.55 CC(O)CCCS[C@H](C)CO 62a_200000718107_100016084084 [0,1,0,0,0,1|0,0,2]=4 3122 B10R0.55 CC(O)CCNCC(C)CO 34a_100000744482_100012276601 [0,1,0,0,0,1|0,0,2]=4 3123 B10R0.55 CC(O)CCNC[C@@H](C)CO 2230a_200000755665_100000059175 [0,1,0,0,0,1|0,0,2]=4 3124 B10R0.55 CC(O)CCOCC(C)CN 34a_100000744482_100012276601 [0,1,0,0,0,1|0,0,2]=4 3125 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100000059175_100012276601 [0,1,0,0,0,1|0,0,2]=4 3126 B10R0.55 CC(O)CCSC[C@@H](C)CO 62a_100012276601_100000059175 [0,1,0,0,0,1|0,0,2]=4 3127 B10R0.55 CC(O)CNCCC(C)CO 2230a_106354213184_100011218427 [0,1,0,0,0,1|0,0,2]=4 3128 B10R0.55 CC(O)CNCCC(C)CO 34a_106354213184_100011218427 [0,1,0,0,0,1|0,0,2]=4 3129 B10R0.55 CCC(=O)COCC=C(C)C 34a_100000725409_100000761012 [0,1,0,0,0,1|0,0,2]=4 3130 B10R0.55 CCC(=O)COCCC(C)O 34a_100000725409_100012276601 [0,1,0,0,0,1|1,0,1]=4 3131 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000747405_100000761012 [0,1,0,0,0,1|0,0,2]=4 3132 B10R0.55 CCC(=O)CSCC=C(C)C 62a_100000761012_100000747405 [0,1,0,0,0,1|0,0,2]=4 3133 B10R0.55 CCC(=O)CSCCC(C)O 62a_100000747405_100012276601 [0,1,0,0,0,1|1,0,1]=4 3134 B10R0.55 CCC(=O)CSCCC(C)O 62a_100012276601_100000747405 [0,1,0,0,0,1|1,0,1]=4 3135 B10R0.55 CCC(C)C=NNCC(C)O 4a_200000730056_100000243153 [0,1,0,0,0,1|1,0,1]=4 3136 B10R0.55 CCC(C)CCNCC(C)O 2230a_100020591266_100011218427 [0,1,0,0,0,1|0,0,2]=4 3137 B10R0.55 CCC(C)CCNC[C@@H](C)O 2230a_100020591266_100009817552 [0,1,0,0,0,1|0,0,2]=4 3138 B10R0.55 CCC(C)CCOCC(C)O 7a_100011215188_100011218427 [0,1,0,0,0,1|0,0,2]=4 3139 B10R0.55 CCC(C)CCOC[C@@H](C)O 7a_100011215188_100009817552 [0,1,0,0,0,1|0,0,2]=4 3140 B10R0.55 CCC(C)CNCC=C(C)C 2230a_100020588543_100000761012 [0,1,0,0,0,1|1,0,0]=3 3141 B10R0.55 CCC(C)CNCC=C(C)C 270004a_100000718196_100000243153 [0,1,0,0,0,1|1,0,0]=3 3142 B10R0.55 CCC(C)CNCC=C(C)C 34a_100000718196_100000748023 [0,1,0,0,0,1|1,0,0]=3 3143 B10R0.55 CCC(C)CNCCC(C)O 2230a_100020588543_100012276601 [0,1,0,0,0,1|0,0,2]=4 3144 B10R0.55 CCC(C)CNCCC(C)O 2230a_200000755665_100000748023 [0,1,0,0,0,1|0,0,2]=4 3145 B10R0.55 CCC(C)CNCCC(C)O 270004a_200000755665_100000243153 [0,1,0,0,0,1|0,0,2]=4 3146 B10R0.55 CCC(C)COCC=C(C)C 34a_100000753907_100000748023 [0,1,0,0,0,1|1,0,0]=3 3147 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000748023_100000761012 [0,1,0,0,0,1|1,0,0]=3 3148 B10R0.55 CCC(C)CSCC=C(C)C 62a_100000761012_100000748023 [0,1,0,0,0,1|1,0,0]=3 3149 B10R0.55 CCC(C)CSCCC(C)O 62a_100000748023_100012276601 [0,1,0,0,0,1|0,0,2]=4 3150 B10R0.55 CCC(C)CSCCC(C)O 62a_100012276601_100000748023 [0,1,0,0,0,1|0,0,2]=4 3151 B10R0.55 CCC(C)NCCC=C(C)C 2230a_100000209981_100011217483 [0,1,0,0,0,1|1,0,0]=3 3152 B10R0.55 CCC(C)NCCCC(C)O 2230a_100000209981_200000718107 [0,1,0,0,0,1|0,0,2]=4 3153 B10R0.55 CCC(C)OCCC=C(C)C 7a_100000210228_100011217483 [0,1,0,0,0,1|1,0,0]=3 3154 B10R0.55 CCC(C)OCCCC(C)O 7a_100000210228_200000718107 [0,1,0,0,0,1|0,0,2]=4 3155 B10R0.55 CCC(C)SCCC=C(C)C 62a_100000758301_100011217483 [0,1,0,0,0,1|1,0,0]=3 3156 B10R0.55 CCC(C)SCCC=C(C)C 62a_100011217483_100000758301 [0,1,0,0,0,1|1,0,0]=3 3157 B10R0.55 CCC(C)SCCCC(C)O 62a_100000758301_200000718107 [0,1,0,0,0,1|0,0,2]=4 3158 B10R0.55 CCC(C)SCCCC(C)O 62a_200000718107_100000758301 [0,1,0,0,0,1|0,0,2]=4 3159 B10R0.55 CCC(O)CNCC=C(C)C 2230a_100011218483_100000761012 [0,1,0,0,0,1|0,0,0]=2 3160 B10R0.55 CCC(O)CNCC=C(C)C 34a_100000718196_100011218378 [0,1,0,0,0,1|0,0,0]=2 3161 B10R0.55 CCC(O)CNCCC(C)C 2230a_100011218483_100000210312 [0,1,0,0,0,1|0,0,2]=4 3162 B10R0.55 CCC(O)CNCCC(C)C 269862a_100011218483_100000185833 [0,1,0,0,0,1|0,0,2]=4 3163 B10R0.55 CCC(O)CNCOC(C)C 2230a_100011218483_100000709892 [0,1,0,0,0,1|1,0,1]=4 3164 B10R0.55 CCC(O)CNN=CC(C)C 4a_100015206393_100000210432 [0,1,0,0,0,1|1,0,1]=4 3165 B10R0.55 CCC(O)COCC=C(C)C 34a_100000753907_100011218378 [0,1,0,0,0,1|0,0,0]=2 3166 B10R0.55 CCC(O)COCCC(=O)C 34a_100000759926_100011218378 [0,1,0,0,0,1|1,0,1]=4 3167 B10R0.55 CCC(O)COCCC(=O)C 7a_100000759926_100011218378 [0,1,0,0,0,1|1,0,1]=4 3168 B10R0.55 CCC(O)COCCC(C)C 34a_100000210254_100011218378 [0,1,0,0,0,1|0,0,2]=4 3169 B10R0.55 CCC(O)COCCC(C)C 7a_100000210254_100011218378 [0,1,0,0,0,1|0,0,2]=4 3170 B10R0.55 CCC(O)CSCC=C(C)C 62a_100000761012_100011218378 [0,1,0,0,0,1|0,0,0]=2 3171 B10R0.55 CCC(O)CSCC=C(C)C 62a_100011218378_100000761012 [0,1,0,0,0,1|0,0,0]=2 3172 B10R0.55 CCC(O)CSCCC(=O)C 62a_100000053229_100011218378 [0,1,0,0,0,1|1,0,1]=4 3173 B10R0.55 CCC(O)CSCCC(=O)C 62a_100011218378_100000053229 [0,1,0,0,0,1|1,0,1]=4 3174 B10R0.55 CCC(O)CSCCC(C)C 62a_100000210312_100011218378 [0,1,0,0,0,1|0,0,2]=4 3175 B10R0.55 CCC(O)CSCCC(C)C 62a_100011218378_100000210312 [0,1,0,0,0,1|0,0,2]=4 3176 B10R0.55 CCC(O)CSCCN(C)C 62a_100011218378_100000755713 [0,1,0,0,0,1|1,0,1]=4 3177 B10R0.55 CCC(O)CSCOC(=O)C 62a_100000076356_100011218378 [0,1,0,0,0,1|2,0,0]=4 3178 B10R0.55 CCC(O)CSCOC(=O)C 62a_100011218378_100000076356 [0,1,0,0,0,1|2,0,0]=4 3179 B10R0.55 CCC(O)CSCOC(C)C 62a_100000709892_100011218378 [0,1,0,0,0,1|1,0,1]=4 3180 B10R0.55 CCC(O)CSCOC(C)C 62a_100011218378_100000709892 [0,1,0,0,0,1|1,0,1]=4 3181 B10R0.55 CC[C@H](C)CNCC=C(C)C 34a_100000718196_100009816398 [0,1,0,0,0,1|1,0,0]=3 3182 B10R0.55 CC[C@H](C)CNCCC(C)O 2230a_200000755665_100009816398 [0,1,0,0,0,1|0,0,2]=4 3183 B10R0.55 CC[C@H](C)COCC=C(C)C 34a_100000753907_100009816398 [0,1,0,0,0,1|1,0,0]=3 3184 B10R0.55 CC[C@H](C)COCC=C(C)C 7a_100009816381_100000761012 [0,1,0,0,0,1|1,0,0]=3 3185 B10R0.55 CC[C@H](C)COCCC(C)O 7a_100009816381_100012276601 [0,1,0,0,0,1|0,0,2]=4 3186 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100000761012_100009816398 [0,1,0,0,0,1|1,0,0]=3 3187 B10R0.55 CC[C@H](C)CSCC=C(C)C 62a_100009816398_100000761012 [0,1,0,0,0,1|1,0,0]=3 3188 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100009816398_100012276601 [0,1,0,0,0,1|0,0,2]=4 3189 B10R0.55 CC[C@H](C)CSCCC(C)O 62a_100012276601_100009816398 [0,1,0,0,0,1|0,0,2]=4 3190 B10R0.55 CN(C)CCSCC(O)CO 62a_100011219619_100000755713 [0,1,0,0,0,1|1,0,1]=4 3191 B10R0.55 CN(C)CCSC[C@@H](O)CF 62a_100015614560_100000755713 [0,1,0,0,0,1|1,0,1]=4 3192 B10R0.55 CN(C)CCSC[C@@H](O)CO 62a_100009815848_100000755713 [0,1,0,0,0,1|1,0,1]=4 3193 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000210904_100000737683 [0,1,0,0,0,1|1,0,1]=4 3194 B10R0.55 CNC(=O)CCNCC(C)O 2230a_100000738227_100011218427 [0,1,0,0,0,1|1,0,1]=4 3195 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000210904_100012179268 [0,1,0,0,0,1|1,0,1]=4 3196 B10R0.55 CNC(=O)CCNCC(C)O 34a_100000738227_100011218427 [0,1,0,0,0,1|1,0,1]=4 3197 B10R0.55 CNC(=O)CCNC[C@@H](C)O 2230a_100000738227_100009817552 [0,1,0,0,0,1|1,0,1]=4 3198 B10R0.55 CNC(=O)CCNC[C@@H](C)O 34a_100000738227_100009817552 [0,1,0,0,0,1|1,0,1]=4 3199 B10R0.55 CNC(=O)CCOCC(C)O 34a_100000754576_100011218427 [0,1,0,0,0,1|1,0,1]=4 3200 B10R0.55 CNC(=O)CCOC[C@@H](C)O 34a_100000754576_100009817552 [0,1,0,0,0,1|1,0,1]=4 3201 B10R0.55 CNC(=O)CCSCC(C)O 62a_100000737683_100011218427 [0,1,0,0,0,1|1,0,1]=4 3202 B10R0.55 CNC(=O)CCSCC(C)O 62a_100011218427_100000737683 [0,1,0,0,0,1|1,0,1]=4 3203 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100000737683_100009817552 [0,1,0,0,0,1|1,0,1]=4 3204 B10R0.55 CNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737683 [0,1,0,0,0,1|1,0,1]=4 3205 B10R0.55 CNC(=O)CNCC=C(C)C 2230a_100000693194_100000761012 [0,1,0,0,0,1|0,0,2]=4 3206 B10R0.55 CNC(=O)CNCC=C(C)C 34a_100000718196_100000183359 [0,1,0,0,0,1|0,0,2]=4 3207 B10R0.55 CNC(=O)CNCCC(C)O 2230a_100000693194_100012276601 [0,1,0,0,0,1|1,0,1]=4 3208 B10R0.55 CNC(=O)CNCCC(C)O 2230a_200000755665_100000183359 [0,1,0,0,0,1|1,0,1]=4 3209 B10R0.55 CNC(=O)COCC=C(C)C 34a_100000750040_100000761012 [0,1,0,0,0,1|0,0,2]=4 3210 B10R0.55 CNC(=O)COCC=C(C)C 34a_100000753907_100000183359 [0,1,0,0,0,1|0,0,2]=4 3211 B10R0.55 CNC(=O)COCCC(C)O 34a_100000750040_100012276601 [0,1,0,0,0,1|1,0,1]=4 3212 B10R0.55 CNC(=O)CSCC=C(C)C 62a_100000183359_100000761012 [0,1,0,0,0,1|0,0,2]=4 3213 B10R0.55 CNC(=O)CSCC=C(C)C 62a_100000761012_100000183359 [0,1,0,0,0,1|0,0,2]=4 3214 B10R0.55 CNC(=O)CSCCC(C)O 62a_100000183359_100012276601 [0,1,0,0,0,1|1,0,1]=4 3215 B10R0.55 CNC(=O)CSCCC(C)O 62a_100012276601_100000183359 [0,1,0,0,0,1|1,0,1]=4 3216 B10R0.55 COC(=O)C=NNCC(C)O 4a_200000730056_200011823558 [0,1,0,0,0,1|2,0,0]=4 3217 B10R0.55 COC(=O)CCNCC(C)O 2230a_100000210904_100000204255 [0,1,0,0,0,1|1,0,1]=4 3218 B10R0.55 COC(=O)CCNCC(C)O 34a_100000210904_100000742370 [0,1,0,0,0,1|1,0,1]=4 3219 B10R0.55 COC(=O)CCSCC(C)O 62a_100000204255_100011218427 [0,1,0,0,0,1|1,0,1]=4 3220 B10R0.55 COC(=O)CCSCC(C)O 62a_100011218427_100000204255 [0,1,0,0,0,1|1,0,1]=4 3221 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100000204255_100009817552 [0,1,0,0,0,1|1,0,1]=4 3222 B10R0.55 COC(=O)CCSC[C@@H](C)O 62a_100009817552_100000204255 [0,1,0,0,0,1|1,0,1]=4 3223 B10R0.55 COC(=O)CNCC=C(C)C 34a_100000718196_100000747449 [0,1,0,0,0,1|0,0,2]=4 3224 B10R0.55 COC(=O)CNCCC(C)O 2230a_200000755665_100000747449 [0,1,0,0,0,1|1,0,1]=4 3225 B10R0.55 COC(=O)COCC=C(C)C 34a_100000753907_100000747449 [0,1,0,0,0,1|0,0,2]=4 3226 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000747449_100000761012 [0,1,0,0,0,1|0,0,2]=4 3227 B10R0.55 COC(=O)CSCC=C(C)C 62a_100000761012_100000747449 [0,1,0,0,0,1|0,0,2]=4 3228 B10R0.55 COC(=O)CSCCC(C)O 62a_100000747449_100012276601 [0,1,0,0,0,1|1,0,1]=4 3229 B10R0.55 COC(=O)CSCCC(C)O 62a_100012276601_100000747449 [0,1,0,0,0,1|1,0,1]=4 3230 B10R0.55 COC(=O)OCSCC(C)O 62a_100011218427_100000139417 [0,1,0,0,0,1|2,0,0]=4 3231 B10R0.55 COC(=O)OCSC[C@@H](C)O 62a_100009817552_100000139417 [0,1,0,0,0,1|2,0,0]=4 3232 B10R0.55 COC(C)CCOCC(C)C 7a_100000764861_100000210760 [0,1,0,0,0,1|0,0,2]=4 3233 B10R0.55 COC(C)CCOCC(C)O 7a_100000764861_100011218427 [0,1,0,0,0,1|0,0,2]=4 3234 B10R0.55 COC(C)CCOC[C@@H](C)O 7a_100000764861_100009817552 [0,1,0,0,0,1|0,0,2]=4 3235 B10R0.55 COC(C)COCC=C(C)C 34a_100000690652_100000761012 [0,1,0,0,0,1|0,0,0]=2 3236 B10R0.55 COC(C)COCCC(C)C 34a_100000690652_100000210312 [0,1,0,0,0,1|0,0,2]=4 3237 B10R0.55 COC(C)COCCC(C)O 34a_100000690652_100012276601 [0,1,0,0,0,1|0,0,2]=4 3238 B10R0.55 COC(C)COCOC(=O)C 34a_100000690652_100009813279 [0,1,0,0,0,1|2,0,0]=4 3239 B10R0.55 COC(C)COCOC(C)C 34a_100000690652_100000709892 [0,1,0,0,0,1|1,0,1]=4 3240 B10R0.55 COC(C)SCCC=C(C)C 62a_100009879195_100011217483 [0,1,0,0,0,1|0,0,0]=2 3241 B10R0.55 COC(C)SCCC=C(C)C 62a_100011217483_100009879195 [0,1,0,0,0,1|0,0,0]=2 3242 B10R0.55 COC(C)SCCC=C(F)F 62a_100009879195_200009816681 [0,1,0,0,0,1|2,0,0]=4 3243 B10R0.55 COC(C)SCCC=C(F)F 62a_200009816681_100009879195 [0,1,0,0,0,1|2,0,0]=4 3244 B10R0.55 COC(C)SCCCC(=O)C 62a_100009879195_100011215641 [0,1,0,0,0,1|1,0,1]=4 3245 B10R0.55 COC(C)SCCCC(=O)C 62a_100011215641_100009879195 [0,1,0,0,0,1|1,0,1]=4 3246 B10R0.55 COC(C)SCCCC(C)C 62a_100009879195_100011214892 [0,1,0,0,0,1|0,0,2]=4 3247 B10R0.55 COC(C)SCCCC(C)C 62a_100011214892_100009879195 [0,1,0,0,0,1|0,0,2]=4 3248 B10R0.55 COC(C)SCCCC(C)O 62a_100009879195_200000718107 [0,1,0,0,0,1|0,0,2]=4 3249 B10R0.55 COC(C)SCCCC(C)O 62a_200000718107_100009879195 [0,1,0,0,0,1|0,0,2]=4 3250 B10R0.55 COC(C)SCCCN(C)C 62a_100009879195_100000757444 [0,1,0,0,0,1|1,0,1]=4 3251 B10R0.55 COC(C)SCCNC(=O)C 62a_100000189650_100009879195 [0,1,0,0,0,1|2,0,0]=4 3252 B10R0.55 COC(C)SCCNC(=O)C 62a_100009879195_100000189650 [0,1,0,0,0,1|2,0,0]=4 3253 B10R0.55 COC(C)SCCOC(=O)C 62a_100009814007_100009879195 [0,1,0,0,0,1|2,0,0]=4 3254 B10R0.55 COC(C)SCCOC(=O)C 62a_100009879195_100009814007 [0,1,0,0,0,1|2,0,0]=4 3255 B10R0.55 COC(C)SCCOC(C)C 62a_100000211751_100009879195 [0,1,0,0,0,1|1,0,1]=4 3256 B10R0.55 COC(C)SCCOC(C)C 62a_100009879195_100000211751 [0,1,0,0,0,1|1,0,1]=4 3257 B10R0.55 COC(C)SCCSC(C)C 62a_100000730970_100009879195 [0,1,0,0,0,1|1,0,1]=4 3258 B10R0.55 COC(C)SCCSC(C)C 62a_100009879195_100000730970 [0,1,0,0,0,1|1,0,1]=4 3259 B10R0.55 CO[C@H](C)CNCC=C(C)C 2230a_100020591295_100000761012 [0,1,0,0,0,1|0,0,0]=2 3260 B10R0.55 CO[C@H](C)CNCCC(C)C 2230a_100020591295_100000210312 [0,1,0,0,0,1|0,0,2]=4 3261 B10R0.55 CO[C@H](C)CNCCC(C)C 269862a_100020591295_100000185833 [0,1,0,0,0,1|0,0,2]=4 3262 B10R0.55 CO[C@H](C)CNCCC(C)O 2230a_100020591295_100012276601 [0,1,0,0,0,1|0,0,2]=4 3263 B10R0.55 CO[C@H](C)CNCOC(C)C 2230a_100020591295_100000709892 [0,1,0,0,0,1|1,0,1]=4 3264 B10R0.55 C[C@@H](CO)CSCCN(C)C 62a_100000059175_100000755713 [0,1,0,0,0,1|1,0,1]=4 3265 B10R0.55 C[C@H](CO)NCCC=C(F)F 2230a_100000737577_200009816681 [0,1,0,0,0,1|2,0,0]=4 3266 B10R0.55 C[C@H](CO)SCCC=C(F)F 62a_100016084084_200009816681 [0,1,0,0,0,1|2,0,0]=4 3267 B10R0.55 C[C@H](CO)SCCC=C(F)F 62a_200009816681_100016084084 [0,1,0,0,0,1|2,0,0]=4 3268 B10R0.55 C[C@H](CO)SCCCN(C)C 62a_100016084084_100000757444 [0,1,0,0,0,1|1,0,1]=4 3269 B10R0.96 C=C(C)CC(=O)CC=C(C)C 1458a_100011220947_100000748629 [0,1,0,0,0,1|1,0,1]=4 3270 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [0,1,0,0,0,1|1,0,1]=4 3271 B10R0.96 C=C(C)CCC(=O)C=C(C)C 1458a_100000211388_100000730704 [0,1,0,0,0,1|1,0,1]=4 3272 B10R0.96 C=C(C)CCC(=O)CC(C)O 1458a_200000688413_100011218427 [0,1,0,0,0,1|0,0,2]=4 3273 B10R0.96 C=C(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000730704 [0,1,0,0,0,1|0,0,2]=4 3274 B10R0.96 C=C(C)CCN(C)CC(C)O 2230a_100000227577_100000730704 [0,1,0,0,0,1|0,0,2]=4 3275 B10R0.96 C=C(C)CCN(C)CC(C)O 269982a_100000227577_100000730704 [0,1,0,0,0,1|0,0,2]=4 3276 B10R0.96 C=C(C)CN(C)CC=C(C)C 2230a_100000225649_100000761012 [0,1,0,0,0,1|1,0,1]=4 3277 B10R0.96 C=C(C)CN(C)CC=C(C)C 269982a_100000225649_100000761012 [0,1,0,0,0,1|1,0,1]=4 3278 B10R0.96 C=C(C)CN(C)CCC(C)O 2230a_100000225649_100012276601 [0,1,0,0,0,1|0,0,2]=4 3279 B10R0.96 C=C(C)CN(C)CCC(C)O 269982a_100000225649_100012276601 [0,1,0,0,0,1|0,0,2]=4 3280 B10R0.96 C=C(C)COC(C)C=C(C)C 34a_100000717055_100000748629 [0,1,0,0,0,1|1,0,1]=4 3281 B10R0.96 CC(=CC(=O)CCC(C)C)C 1458a_100000211388_100000210312 [0,1,0,0,0,1|1,0,0]=3 3282 B10R0.96 CC(=CC(=O)CCC(C)C)Cl 1458a_200042562850_100000210312 [0,1,0,0,0,1|2,0,0]=4 3283 B10R0.96 CC(=CC(=O)CCC(C)C)I 1458a_100025716642_100000210312 [0,1,0,0,0,1|2,0,0]=4 3284 B10R0.96 CC(=CC(=O)CCC(C)O)C 1458a_100000211388_100012276601 [0,1,0,0,0,1|0,0,0]=2 3285 B10R0.96 CC(=CC(=O)CCC(C)O)Cl 1458a_200042562850_100012276601 [0,1,0,0,0,1|1,0,0]=3 3286 B10R0.96 CC(=CC(=O)CCC(C)O)I 1458a_100025716642_100012276601 [0,1,0,0,0,1|1,0,0]=3 3287 B10R0.96 CC(=CC(=O)NCC(C)C)C 11a_100000210953_100000211388 [0,1,0,0,0,1|1,0,1]=4 3288 B10R0.96 CC(=CC(=O)NCC(C)C)C 1626a_100000210953_100000211388 [0,1,0,0,0,1|1,0,1]=4 3289 B10R0.96 CC(=CC(=O)NCC(C)C)C 240690a_100000210953_100000211388 [0,1,0,0,0,1|1,0,1]=4 3290 B10R0.96 CC(=CC(=O)NCC(C)O)C 11a_100000210904_100000211388 [0,1,0,0,0,1|0,0,1]=3 3291 B10R0.96 CC(=CC(=O)NCC(C)O)C 240690a_100000210904_100000211388 [0,1,0,0,0,1|0,0,1]=3 3292 B10R0.96 CC(=CC(=O)NCC(C)O)Cl 11a_100000210904_200042562850 [0,1,0,0,0,1|1,0,1]=4 3293 B10R0.96 CC(=CC(=O)NCC(C)O)Cl 240690a_100000210904_200042562850 [0,1,0,0,0,1|1,0,1]=4 3294 B10R0.96 CC(=CC(=O)NCC(C)O)I 11a_100000210904_100025716642 [0,1,0,0,0,1|1,0,1]=4 3295 B10R0.96 CC(=CC(C)OCC(C)C)C 34a_100000717055_100000210624 [0,1,0,0,0,1|1,0,0]=3 3296 B10R0.96 CC(=CC(C)OCC(C)O)C 34a_100000717055_100011218427 [0,1,0,0,0,1|0,0,0]=2 3297 B10R0.96 CC(=CC(C)OCC(F)F)C 34a_100000717055_100011934356 [0,1,0,0,0,1|2,0,0]=4 3298 B10R0.96 CC(=CC(C)OC[C@@H](C)O)C 34a_100000717055_100009817552 [0,1,0,0,0,1|0,0,0]=2 3299 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100000210554_100000761012 [0,1,0,0,0,1|1,0,0]=3 3300 B10R0.96 CC(=CCC(=O)CC(C)C)C 1458a_100011220947_100000210624 [0,1,0,0,0,1|1,0,0]=3 3301 B10R0.96 CC(=CCC(=O)CC(C)O)C 1458a_100011220947_100011218427 [0,1,0,0,0,1|0,0,0]=2 3302 B10R0.96 CC(=CCC(=O)CC(F)F)C 1458a_100011220947_100011934356 [0,1,0,0,0,1|2,0,0]=4 3303 B10R0.96 CC(=CCC(=O)CN(C)C)C 1458a_100000750896_100000761012 [0,1,0,0,0,1|2,0,0]=4 3304 B10R0.96 CC(=CCC(=O)C[C@@H](C)O)C 1458a_100011933948_100000761012 [0,1,0,0,0,1|0,0,0]=2 3305 B10R0.96 CC(=CCC(=O)C[S+](C)C)C 1458a_200159257847_100000761012 [0,1,0,0,0,1|2,0,0]=4 3306 B10R0.96 CC(=CCC(=O)NC(C)C)C 11a_100138425928_100011220947 [0,1,0,0,0,1|1,0,1]=4 3307 B10R0.96 CC(=CCC(=O)NC(C)C)C 1626a_100138425928_100011220947 [0,1,0,0,0,1|1,0,1]=4 3308 B10R0.96 CC(=CCC(=O)NC(C)C)C 240690a_100138425928_100011220947 [0,1,0,0,0,1|1,0,1]=4 3309 B10R0.96 CC(=CCC(=O)NC(C)C)C 527a_100138425928_100011220947 [0,1,0,0,0,1|1,0,1]=4 3310 B10R0.96 CC(=CCN(C)CC(=O)O)C 269956a_100000746989_100000761012 [0,1,0,0,0,1|1,0,1]=4 3311 B10R0.96 CC(=CCN(C)CC(C)C)C 2230a_100000747067_100000761012 [0,1,0,0,0,1|1,0,0]=3 3312 B10R0.96 CC(=CCN(C)CC(C)C)C 269982a_100000747067_100000761012 [0,1,0,0,0,1|1,0,0]=3 3313 B10R0.96 CC(=CCN(C)CC(C)O)C 2230a_100000227577_100000761012 [0,1,0,0,0,1|0,0,0]=2 3314 B10R0.96 CC(=CCN(C)CC(C)O)C 269982a_100000227577_100000761012 [0,1,0,0,0,1|0,0,0]=2 3315 B10R0.96 CC(=O)CCN(C)CC(C)O 269982a_100000227577_100000053229 [0,1,0,0,0,1|1,0,1]=4 3316 B10R0.96 CC(=O)NCC(=O)CC(C)O 1458a_100000194580_100011218427 [0,1,0,0,0,1|2,0,0]=4 3317 B10R0.96 CC(=O)OC(C)SCC(C)O 62a_100009818208_100011218427 [0,1,0,0,0,1|2,0,0]=4 3318 B10R0.96 CC(=O)OC(C)SCC(C)O 62a_100011218427_100009818208 [0,1,0,0,0,1|2,0,0]=4 3319 B10R0.96 CC(=O)OC(C)SC[C@@H](C)O 62a_100009817552_100009818208 [0,1,0,0,0,1|2,0,0]=4 3320 B10R0.96 CC(=O)OC(C)SC[C@@H](C)O 62a_100009818208_100009817552 [0,1,0,0,0,1|2,0,0]=4 3321 B10R0.96 CC(=O)OCC(=O)CC(C)O 1458a_100000183556_100011218427 [0,1,0,0,0,1|2,0,0]=4 3322 B10R0.96 CC(=O)OCN(C)CC(C)O 269982a_100000227577_100000076356 [0,1,0,0,0,1|2,0,0]=4 3323 B10R0.96 CC(=O)SCC(=O)CC(C)O 1458a_100000049016_100011218427 [0,1,0,0,0,1|2,0,0]=4 3324 B10R0.96 CC(C)C=CC(=O)CC(C)O 1458a_100016268746_100011218427 [0,1,0,0,0,1|0,0,2]=4 3325 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,1,0,0,0,1|0,0,1]=3 3326 B10R0.96 CC(C)CC(=O)NCC(C)O 11a_100000210904_100000210554 [0,1,0,0,0,1|1,0,1]=4 3327 B10R0.96 CC(C)CC(=O)NCC(C)O 240690a_100000210904_100000210554 [0,1,0,0,0,1|1,0,1]=4 3328 B10R0.96 CC(C)CC(=O)NCC(C)O 527a_100000210904_100000210554 [0,1,0,0,0,1|1,0,1]=4 3329 B10R0.96 CC(C)CC(C)NCC(C)O 2230a_100000210904_100000731052 [0,1,0,0,0,1|0,0,2]=4 3330 B10R0.96 CC(C)CC(C)NCC(C)O 2230a_100000692259_100011218427 [0,1,0,0,0,1|0,0,2]=4 3331 B10R0.96 CC(C)CC(C)NCC(C)O 34a_100000210904_100000731052 [0,1,0,0,0,1|0,0,2]=4 3332 B10R0.96 CC(C)CC(C)NC[C@@H](C)O 2230a_100000692259_100009817552 [0,1,0,0,0,1|0,0,2]=4 3333 B10R0.96 CC(C)CC(C)OCC(C)O 34a_100000211805_100011218427 [0,1,0,0,0,1|0,0,2]=4 3334 B10R0.96 CC(C)CC(C)OCC(C)O 7a_100000211805_100011218427 [0,1,0,0,0,1|0,0,2]=4 3335 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 34a_100000211805_100009817552 [0,1,0,0,0,1|0,0,2]=4 3336 B10R0.96 CC(C)CC(C)OC[C@@H](C)O 7a_100000211805_100009817552 [0,1,0,0,0,1|0,0,2]=4 3337 B10R0.96 CC(C)CC(C)SCC(C)O 62a_100000731052_100011218427 [0,1,0,0,0,1|0,0,2]=4 3338 B10R0.96 CC(C)CC(C)SCC(C)O 62a_100011218427_100000731052 [0,1,0,0,0,1|0,0,2]=4 3339 B10R0.96 CC(C)CC(C)SC[C@@H](C)O 62a_100000731052_100009817552 [0,1,0,0,0,1|0,0,2]=4 3340 B10R0.96 CC(C)CC(C)SC[C@@H](C)O 62a_100009817552_100000731052 [0,1,0,0,0,1|0,0,2]=4 3341 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [0,1,0,0,0,1|1,0,1]=4 3342 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [0,1,0,0,0,1|1,0,1]=4 3343 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,1,0,0,0,1|0,0,2]=4 3344 B10R0.96 CC(C)CCC(=O)CN(C)C 1458a_100000750896_100000210312 [0,1,0,0,0,1|2,0,0]=4 3345 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,1,0,0,0,1|0,0,2]=4 3346 B10R0.96 CC(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000210312 [0,1,0,0,0,1|2,0,0]=4 3347 B10R0.96 CC(C)CCC(=O)NC(C)C 11a_100138425928_100000181311 [0,1,0,0,0,1|1,0,1]=4 3348 B10R0.96 CC(C)CCC(=O)NC(C)C 1626a_100138425928_100000181311 [0,1,0,0,0,1|1,0,1]=4 3349 B10R0.96 CC(C)CCC(=O)NC(C)C 240690a_100138425928_100000181311 [0,1,0,0,0,1|1,0,1]=4 3350 B10R0.96 CC(C)CCC(=O)NC(C)C 527a_100138425928_100000181311 [0,1,0,0,0,1|1,0,1]=4 3351 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000227577_100000210312 [0,1,0,0,0,1|0,0,2]=4 3352 B10R0.96 CC(C)CCN(C)CC(C)O 2230a_100000742789_100011218427 [0,1,0,0,0,1|0,0,2]=4 3353 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000227577_100000210312 [0,1,0,0,0,1|0,0,2]=4 3354 B10R0.96 CC(C)CCN(C)CC(C)O 269982a_100000742789_100011218427 [0,1,0,0,0,1|0,0,2]=4 3355 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 2230a_100000742789_100009817552 [0,1,0,0,0,1|0,0,2]=4 3356 B10R0.96 CC(C)CCN(C)C[C@@H](C)O 269982a_100000742789_100009817552 [0,1,0,0,0,1|0,0,2]=4 3357 B10R0.96 CC(C)CN(C)CCC(C)O 2230a_100000747067_100012276601 [0,1,0,0,0,1|0,0,2]=4 3358 B10R0.96 CC(C)CN(C)CCC(C)O 269982a_100000747067_100012276601 [0,1,0,0,0,1|0,0,2]=4 3359 B10R0.96 CC(CN(C)C)SC[C@@H](C)O 62a_100009817552_100020606517 [0,1,0,0,0,1|1,0,1]=4 3360 B10R0.96 CC(CN(C)C)SC[C@@H](C)O 62a_100020606517_100009817552 [0,1,0,0,0,1|1,0,1]=4 3361 B10R0.96 CC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218427 [0,1,0,0,0,1|1,0,1]=4 3362 B10R0.96 CC(O)CC(=O)COC(C)C 1458a_100000745533_100011218427 [0,1,0,0,0,1|1,0,1]=4 3363 B10R0.96 CC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218427 [0,1,0,0,0,1|1,0,1]=4 3364 B10R0.96 CC(O)CCC(=O)C=C(Cl)Cl 1458a_100000137448_100012276601 [0,1,0,0,0,1|2,0,0]=4 3365 B10R0.96 CC(O)CCC(=O)CC(=O)N 1458a_100134613110_100012276601 [0,1,0,0,0,1|2,0,0]=4 3366 B10R0.96 CC(O)CCC(=O)CN(C)C 1458a_100000750896_100012276601 [0,1,0,0,0,1|1,0,0]=3 3367 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,1,0,0,0,1|1,0,1]=4 3368 B10R0.96 CC(O)CCC(=O)C[S+](C)C 1458a_200159257847_100012276601 [0,1,0,0,0,1|1,0,0]=3 3369 B10R0.96 CC(O)CCC(=O)NC(C)C 1626a_100138425928_100000718519 [0,1,0,0,0,1|0,0,1]=3 3370 B10R0.96 CC(O)CN(C)CCN(C)C 269982a_100000225618_100011218427 [0,1,0,0,0,1|1,0,1]=4 3371 B10R0.96 CC(O)CN(C)CCN(C)C 269982a_100000227577_100000755713 [0,1,0,0,0,1|1,0,1]=4 3372 B10R0.96 CC(O)CN(C)COC(C)C 2230a_100000227577_100000709892 [0,1,0,0,0,1|1,0,1]=4 3373 B10R0.96 CC(O)CN(C)COC(C)C 269982a_100000227577_100000709892 [0,1,0,0,0,1|1,0,1]=4 3374 B10R0.96 CC(O)CNC(=O)CN(C)C 11a_100000210904_100000750896 [0,1,0,0,0,1|2,0,0]=4 3375 B10R0.96 CC(O)CNC(=O)CN(C)C 240690a_100000210904_100000750896 [0,1,0,0,0,1|2,0,0]=4 3376 B10R0.96 CC(O)CNC(=O)CN(C)C 527a_100000210904_100000750896 [0,1,0,0,0,1|2,0,0]=4 3377 B10R0.96 CC(O)CNC(=O)C[S+](C)C 11a_100000210904_200159257847 [0,1,0,0,0,1|2,0,0]=4 3378 B10R0.96 CC(O)CNC(=O)C[S+](C)C 240690a_100000210904_200159257847 [0,1,0,0,0,1|2,0,0]=4 3379 B10R0.96 CC(O)CNC(=O)C[S+](C)C 527a_100000210904_200159257847 [0,1,0,0,0,1|2,0,0]=4 3380 B10R0.96 CC(O)CNC(=O)NC(C)C 2708a_100138425928_100000210904 [0,1,0,0,0,1|1,0,1]=4 3381 B10R0.96 CC(O)CNC(=O)NC(C)C 273464a_100138425928_100000210904 [0,1,0,0,0,1|1,0,1]=4 3382 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100000210904_100138425928 [0,1,0,0,0,1|1,0,1]=4 3383 B10R0.96 CC(O)CNC(=O)NC(C)C 512a_100138425928_100000210904 [0,1,0,0,0,1|1,0,1]=4 3384 B10R0.96 CC(O)CSC(C)CN(C)C 62a_100011218427_100020606517 [0,1,0,0,0,1|1,0,1]=4 3385 B10R0.96 CC(O)CSC(C)CN(C)C 62a_100020606517_100011218427 [0,1,0,0,0,1|1,0,1]=4 3386 B10R0.96 C[C@@H](O)CN(C)CCN(C)C 269982a_100000225618_100009817552 [0,1,0,0,0,1|1,0,1]=4 3387 B10R0.98 C=C(C)C(=NNCC(C)O)C 4a_200000730056_100011216138 [0,1,0,0,0,1|1,0,1]=4 3388 B10R0.98 C=C(C)C(=O)CCC=C(C)C 1458a_100000185857_100011217483 [0,1,0,0,0,1|1,0,1]=4 3389 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,1,0,0,0,1|1,0,1]=4 3390 B10R0.98 C=C(C)C(=O)CCCC(C)O 1458a_100000185857_200000718107 [0,1,0,0,0,1|0,0,1]=3 3391 B10R0.98 C=C(C)C(=O)CCOC(C)C 1458a_100000185857_100000211751 [0,1,0,0,0,1|1,0,1]=4 3392 B10R0.98 C=C(C)C(=O)CCSC(C)C 1458a_100000185857_100000730970 [0,1,0,0,0,1|1,0,1]=4 3393 B10R0.98 C=C(C)C(=O)NCCC(C)C 11a_100000210545_100000185857 [0,1,0,0,0,1|1,0,1]=4 3394 B10R0.98 C=C(C)C(=O)NCCC(C)C 1626a_100000210545_100000185857 [0,1,0,0,0,1|1,0,1]=4 3395 B10R0.98 C=C(C)C(=O)NNCC(C)O 22a_200000730056_100000185857 [0,1,0,0,0,1|1,0,1]=4 3396 B10R0.98 C=C(C)C(C)NCCC(C)O 269862a_200000755665_100011216138 [0,1,0,0,0,1|0,0,2]=4 3397 B10R0.98 CC(=CCCC(=O)C(C)C)C 1458a_100000210198_100011217483 [0,1,0,0,0,1|1,0,0]=3 3398 B10R0.98 CC(=CCCC(=O)C(C)F)C 1458a_100000062450_100011217483 [0,1,0,0,0,1|1,0,0]=3 3399 B10R0.98 CC(=CCCC(=O)C(O)O)C 1458a_100000233687_100011217483 [0,1,0,0,0,1|1,0,0]=3 3400 B10R0.98 CC(=CCCC(=O)[C@@H](C)O)C 1458a_100000717761_100011217483 [0,1,0,0,0,1|0,0,0]=2 3401 B10R0.98 CC(=CCCC(=O)[C@H](C)O)C 1458a_217856618621_100011217483 [0,1,0,0,0,1|0,0,0]=2 3402 B10R0.98 CC(=CCCC(C)N(C)C)C 270004a_100102631434_100000765506 [0,1,0,0,0,1|2,0,0]=4 3403 B10R0.98 CC(=CCCN(C)C(C)C)C 269982a_200000211004_100011217483 [0,1,0,0,0,1|1,0,0]=3 3404 B10R0.98 CC(=CCNC(=O)C(C)C)C 11a_100000718196_100000210198 [0,1,0,0,0,1|1,0,1]=4 3405 B10R0.98 CC(=CCNC(=O)C(C)C)C 1626a_100000718196_100000210198 [0,1,0,0,0,1|1,0,1]=4 3406 B10R0.98 CC(=CCNC(=O)C(C)C)C 527a_100000718196_100000210198 [0,1,0,0,0,1|1,0,1]=4 3407 B10R0.98 CC(=CCNC(=O)C(C)F)C 11a_100000718196_100000062450 [0,1,0,0,0,1|1,0,1]=4 3408 B10R0.98 CC(=CCNC(=O)C(C)F)C 1626a_100000718196_100000062450 [0,1,0,0,0,1|1,0,1]=4 3409 B10R0.98 CC(=CCNC(=O)C(C)F)C 527a_100000718196_100000062450 [0,1,0,0,0,1|1,0,1]=4 3410 B10R0.98 CC(=CCNC(=O)[C@H](C)O)C 1626a_100000718196_217856618621 [0,1,0,0,0,1|0,0,1]=3 3411 B10R0.98 CC(=CCNC(C)C(C)C)C 2230a_100000211541_100000761012 [0,1,0,0,0,1|1,0,0]=3 3412 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [0,1,0,0,0,1|1,0,1]=4 3413 B10R0.98 CC(=CCOC(C)C(C)C)C 7a_100000748068_100000761012 [0,1,0,0,0,1|1,0,0]=3 3414 B10R0.98 CC(=NNCC(C)O)C(C)C 4a_200000730056_100000211110 [0,1,0,0,0,1|1,0,1]=4 3415 B10R0.98 CC(=O)C(=O)CNCC(C)C 34a_100000210953_100011261029 [0,1,0,0,0,1|2,0,0]=4 3416 B10R0.98 CC(=O)C(=O)CNCC(C)O 34a_100000210904_100011261029 [0,1,0,0,0,1|1,0,0]=3 3417 B10R0.98 CC(=O)C(=O)COCC(C)Br 34a_100012180447_100011261029 [0,1,0,0,0,1|2,0,0]=4 3418 B10R0.98 CC(=O)C(=O)COCC(C)C 34a_100000210257_100011261029 [0,1,0,0,0,1|2,0,0]=4 3419 B10R0.98 CC(=O)C(=O)COCC(C)F 34a_100015925927_100011261029 [0,1,0,0,0,1|2,0,0]=4 3420 B10R0.98 CC(=O)C(=O)COC[C@@H](C)Cl 34a_100016084084_100011261029 [0,1,0,0,0,1|2,0,0]=4 3421 B10R0.98 CC(=O)C(=O)COC[C@@H](C)N 34a_100000737577_100011261029 [0,1,0,0,0,1|2,0,0]=4 3422 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100000210624_100011261029 [0,1,0,0,0,1|2,0,0]=4 3423 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100011261029_100000210760 [0,1,0,0,0,1|2,0,0]=4 3424 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011218427_100011261029 [0,1,0,0,0,1|1,0,0]=3 3425 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011261029_100011218427 [0,1,0,0,0,1|1,0,0]=3 3426 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100011261029 [0,1,0,0,0,1|1,0,0]=3 3427 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100011261029_100009817552 [0,1,0,0,0,1|1,0,0]=3 3428 B10R0.98 CC(=O)C(C)COCC(C)O 34a_100000032740_100011218427 [0,1,0,0,0,1|1,0,1]=4 3429 B10R0.98 CC(=O)C(C)COCC(C)O 7a_100000032740_100011218427 [0,1,0,0,0,1|1,0,1]=4 3430 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 34a_100000032740_100009817552 [0,1,0,0,0,1|1,0,1]=4 3431 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 7a_100000032740_100009817552 [0,1,0,0,0,1|1,0,1]=4 3432 B10R0.98 CC(=O)C(C)NCCC(C)O 2230a_200000755665_100009814033 [0,1,0,0,0,1|1,0,1]=4 3433 B10R0.98 CC(=O)C(C)OCC=C(C)C 34a_100000212229_100000761012 [0,1,0,0,0,1|0,0,2]=4 3434 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [0,1,0,0,0,1|1,0,1]=4 3435 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100000761012_100009814033 [0,1,0,0,0,1|0,0,2]=4 3436 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100009814033_100000761012 [0,1,0,0,0,1|0,0,2]=4 3437 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100009814033_100012276601 [0,1,0,0,0,1|1,0,1]=4 3438 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100012276601_100009814033 [0,1,0,0,0,1|1,0,1]=4 3439 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,1,0,0,0,1|1,0,1]=4 3440 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,1,0,0,0,1|1,0,1]=4 3441 B10R0.98 CC(=O)NCCC(=O)[C@@H](C)O 1458a_100000717761_100000189650 [0,1,0,0,0,1|2,0,0]=4 3442 B10R0.98 CC(=O)NCCC(=O)[C@H](C)O 1458a_217856618621_100000189650 [0,1,0,0,0,1|2,0,0]=4 3443 B10R0.98 CC(=O)OCCC(=O)[C@@H](C)O 1458a_100000717761_100009814007 [0,1,0,0,0,1|2,0,0]=4 3444 B10R0.98 CC(=O)OCCC(=O)[C@H](C)O 1458a_217856618621_100009814007 [0,1,0,0,0,1|2,0,0]=4 3445 B10R0.98 CC(Br)COCC(=O)C(C)C 34a_100012180447_100000753385 [0,1,0,0,0,1|1,0,1]=4 3446 B10R0.98 CC(Br)COCC(=O)N(C)C 34a_100012180447_100000692301 [0,1,0,0,0,1|2,0,0]=4 3447 B10R0.98 CC(C)C(=O)COC[C@@H](C)Cl 34a_100016084084_100000753385 [0,1,0,0,0,1|1,0,1]=4 3448 B10R0.98 CC(C)C(=O)COC[C@@H](C)N 34a_100000737577_100000753385 [0,1,0,0,0,1|1,0,1]=4 3449 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100000753385_100009817552 [0,1,0,0,0,1|0,0,1]=3 3450 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100009817552_100000753385 [0,1,0,0,0,1|0,0,1]=3 3451 B10R0.98 CC(C)C(O)CNC[C@@H](C)O 2230a_100000759067_100009817552 [0,1,0,0,0,1|0,0,2]=4 3452 B10R0.98 CC(C)C(O)CNC[C@@H](C)O 34a_100000759067_100009817552 [0,1,0,0,0,1|0,0,2]=4 3453 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100000210198_100011214892 [0,1,0,0,0,1|1,0,1]=4 3454 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100011216857_100000210206 [0,1,0,0,0,1|1,0,1]=4 3455 B10R0.98 CC(C)CCCC(=O)N(C)C 11a_100102631434_100011216857 [0,1,0,0,0,1|2,0,0]=4 3456 B10R0.98 CC(C)CCCC(=O)N(C)C 1626a_100102631434_100011216857 [0,1,0,0,0,1|2,0,0]=4 3457 B10R0.98 CC(C)CCCC(=O)N(C)C 240690a_100102631434_100011216857 [0,1,0,0,0,1|2,0,0]=4 3458 B10R0.98 CC(C)CCCC(=O)N(C)C 527a_100102631434_100011216857 [0,1,0,0,0,1|2,0,0]=4 3459 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,1,0,0,0,1|0,0,2]=4 3460 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,1,0,0,0,1|0,0,2]=4 3461 B10R0.98 CC(C)CCNC(=O)C(C)C 11a_100000210545_100000210198 [0,1,0,0,0,1|1,0,1]=4 3462 B10R0.98 CC(C)CCNC(=O)C(C)C 1626a_100000210545_100000210198 [0,1,0,0,0,1|1,0,1]=4 3463 B10R0.98 CC(C)CCNC(=O)C(C)C 240690a_100000210545_100000210198 [0,1,0,0,0,1|1,0,1]=4 3464 B10R0.98 CC(C)CCNC(=O)C(C)C 527a_100000210545_100000210198 [0,1,0,0,0,1|1,0,1]=4 3465 B10R0.98 CC(C)CCNC(=O)N(C)C 2708a_100000210545_100102631434 [0,1,0,0,0,1|2,0,0]=4 3466 B10R0.98 CC(C)CNCC(=O)C(C)C 2230a_100000210953_100000753385 [0,1,0,0,0,1|1,0,1]=4 3467 B10R0.98 CC(C)CNCC(=O)C(C)C 34a_100000210953_100000753385 [0,1,0,0,0,1|1,0,1]=4 3468 B10R0.98 CC(C)CNCC(=O)N(C)C 2230a_100000210953_100000185267 [0,1,0,0,0,1|2,0,0]=4 3469 B10R0.98 CC(C)CNCC(=O)N(C)C 2230a_100015183351_100000210760 [0,1,0,0,0,1|2,0,0]=4 3470 B10R0.98 CC(C)CNCC(=O)N(C)C 270004a_100015183351_100000210432 [0,1,0,0,0,1|2,0,0]=4 3471 B10R0.98 CC(C)CNCC(=O)N(C)C 34a_100000210953_100000692301 [0,1,0,0,0,1|2,0,0]=4 3472 B10R0.98 CC(C)COCC(=O)C(C)C 1458a_100011223364_100000210206 [0,1,0,0,0,1|1,0,1]=4 3473 B10R0.98 CC(C)COCC(=O)C(C)C 34a_100000210257_100000753385 [0,1,0,0,0,1|1,0,1]=4 3474 B10R0.98 CC(C)COCC(=O)N(C)C 11a_100102631434_100011223364 [0,1,0,0,0,1|2,0,0]=4 3475 B10R0.98 CC(C)COCC(=O)N(C)C 1626a_100102631434_100011223364 [0,1,0,0,0,1|2,0,0]=4 3476 B10R0.98 CC(C)COCC(=O)N(C)C 240690a_100102631434_100011223364 [0,1,0,0,0,1|2,0,0]=4 3477 B10R0.98 CC(C)COCC(=O)N(C)C 34a_100000210257_100000692301 [0,1,0,0,0,1|2,0,0]=4 3478 B10R0.98 CC(C)COCC(=O)N(C)C 527a_100102631434_100011223364 [0,1,0,0,0,1|2,0,0]=4 3479 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000210624_100000753385 [0,1,0,0,0,1|1,0,1]=4 3480 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000753385_100000210760 [0,1,0,0,0,1|1,0,1]=4 3481 B10R0.98 CC(C)CSCC(=O)N(C)C 62a_100000210624_100000692301 [0,1,0,0,0,1|2,0,0]=4 3482 B10R0.98 CC(C)CSCC(=O)N(C)C 62a_100000692301_100000210760 [0,1,0,0,0,1|2,0,0]=4 3483 B10R0.98 CC(C)NCCC(=O)N(C)C 2230a_100000738053_100000210206 [0,1,0,0,0,1|2,0,0]=4 3484 B10R0.98 CC(C)NCCC(=O)N(C)C 2230a_100138425928_100000737620 [0,1,0,0,0,1|2,0,0]=4 3485 B10R0.98 CC(C)OCCC(=O)C(C)C 1458a_100000210198_100000211751 [0,1,0,0,0,1|1,0,1]=4 3486 B10R0.98 CC(C)OCCC(=O)N(C)C 34a_200000747469_100000210206 [0,1,0,0,0,1|2,0,0]=4 3487 B10R0.98 CC(C)OCCC(=O)[C@@H](C)O 1458a_100000717761_100000211751 [0,1,0,0,0,1|1,0,1]=4 3488 B10R0.98 CC(C)OCCC(=O)[C@H](C)O 1458a_217856618621_100000211751 [0,1,0,0,0,1|1,0,1]=4 3489 B10R0.98 CC(C)SCCC(=O)C(C)C 1458a_100000210198_100000730970 [0,1,0,0,0,1|1,0,1]=4 3490 B10R0.98 CC(C)SCCC(=O)N(C)C 62a_100000210206_100000737620 [0,1,0,0,0,1|2,0,0]=4 3491 B10R0.98 CC(C)SCCC(=O)N(C)C 62a_100000737620_100000210206 [0,1,0,0,0,1|2,0,0]=4 3492 B10R0.98 CC(C)SCCC(=O)[C@@H](C)O 1458a_100000717761_100000730970 [0,1,0,0,0,1|1,0,1]=4 3493 B10R0.98 CC(C)SCCC(=O)[C@H](C)O 1458a_217856618621_100000730970 [0,1,0,0,0,1|1,0,1]=4 3494 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 3495 B10R0.98 CC(F)COCC(=O)C(C)C 34a_100015925927_100000753385 [0,1,0,0,0,1|1,0,1]=4 3496 B10R0.98 CC(F)COCC(=O)N(C)C 34a_100015925927_100000692301 [0,1,0,0,0,1|2,0,0]=4 3497 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [0,1,0,0,0,1|0,0,1]=3 3498 B10R0.98 CC(O)CCCC(=O)C(C)F 1458a_100000062450_200000718107 [0,1,0,0,0,1|1,0,1]=4 3499 B10R0.98 CC(O)CCCC(=O)N(C)C 1626a_100102631434_100000761597 [0,1,0,0,0,1|1,0,0]=3 3500 B10R0.98 CC(O)CCCC(=O)N(C)C 527a_100102631434_100000761597 [0,1,0,0,0,1|1,0,0]=3 3501 B10R0.98 CC(O)CCCC(=O)[C@@H](C)O 1458a_100000717761_200000718107 [0,1,0,0,0,1|1,0,1]=4 3502 B10R0.98 CC(O)CCCC(=O)[C@H](C)O 1458a_217856618621_200000718107 [0,1,0,0,0,1|1,0,1]=4 3503 B10R0.98 CC(O)CCCN(C)C(C)C 269982a_200000211004_200000718107 [0,1,0,0,0,1|0,0,2]=4 3504 B10R0.98 CC(O)CCNC(=O)C(=O)N 240690a_200000755665_100011215815 [0,1,0,0,0,1|2,0,0]=4 3505 B10R0.98 CC(O)CCNC(=O)C(C)C 240690a_200000755665_100000210198 [0,1,0,0,0,1|0,0,1]=3 3506 B10R0.98 CC(O)CCNC(=O)C(C)C 527a_200000755665_100000210198 [0,1,0,0,0,1|0,0,1]=3 3507 B10R0.98 CC(O)CCNC(=O)C(C)F 240690a_200000755665_100000062450 [0,1,0,0,0,1|1,0,1]=4 3508 B10R0.98 CC(O)CCNC(=O)C(C)F 527a_200000755665_100000062450 [0,1,0,0,0,1|1,0,1]=4 3509 B10R0.98 CC(O)CCNC(=O)[C@@H](C)O 240690a_200000755665_100000717761 [0,1,0,0,0,1|1,0,1]=4 3510 B10R0.98 CC(O)CCNC(=O)[C@H](C)O 240690a_200000755665_217856618621 [0,1,0,0,0,1|1,0,1]=4 3511 B10R0.98 CC(O)CCNC(C)C(C)C 2230a_100000211541_100012276601 [0,1,0,0,0,1|0,0,2]=4 3512 B10R0.98 CC(O)CCOC(C)C(C)C 7a_100000748068_100012276601 [0,1,0,0,0,1|0,0,2]=4 3513 B10R0.98 CC(O)CNCC(=O)C(C)C 2230a_100000210904_100000753385 [0,1,0,0,0,1|0,0,1]=3 3514 B10R0.98 CC(O)CNCC(=O)C(C)C 34a_100000210904_100000753385 [0,1,0,0,0,1|0,0,1]=3 3515 B10R0.98 CC(O)CNCC(=O)N(C)C 2230a_100000210904_100000185267 [0,1,0,0,0,1|1,0,0]=3 3516 B10R0.98 CC(O)CNCC(=O)N(C)C 2230a_100015183351_100011218427 [0,1,0,0,0,1|1,0,0]=3 3517 B10R0.98 CC(O)CNCC(=O)N(C)C 34a_100000210904_100000692301 [0,1,0,0,0,1|1,0,0]=3 3518 B10R0.98 CC(O)CNCC(O)C(C)C 2230a_100000759067_100011218427 [0,1,0,0,0,1|0,0,2]=4 3519 B10R0.98 CC(O)CNCC(O)C(C)C 34a_100000759067_100011218427 [0,1,0,0,0,1|0,0,2]=4 3520 B10R0.98 CC(O)CNNC(=O)C(C)C 22a_200000730056_100000210198 [0,1,0,0,0,1|1,0,1]=4 3521 B10R0.98 CC(O)COC[C@H](N)C(C)C 34a_100011830312_100011218427 [0,1,0,0,0,1|0,0,2]=4 3522 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100000753385_100011218427 [0,1,0,0,0,1|0,0,1]=3 3523 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100011218427_100000753385 [0,1,0,0,0,1|0,0,1]=3 3524 B10R0.98 CC(O)CSCC(=O)N(C)C 62a_100000692301_100011218427 [0,1,0,0,0,1|1,0,0]=3 3525 B10R0.98 CC(O)CSCC(=O)N(C)C 62a_100011218427_100000692301 [0,1,0,0,0,1|1,0,0]=3 3526 B10R0.98 C[C@@H](Cl)COCC(=O)N(C)C 34a_100016084084_100000692301 [0,1,0,0,0,1|2,0,0]=4 3527 B10R0.98 C[C@@H](N)COCC(=O)N(C)C 34a_100000737577_100000692301 [0,1,0,0,0,1|2,0,0]=4 3528 B10R0.98 C[C@@H](O)C(=O)CCC=C(F)F 1458a_100000717761_200009816681 [0,1,0,0,0,1|2,0,0]=4 3529 B10R0.98 C[C@@H](O)C(=O)CCCN(C)C 1458a_100000717761_100000695564 [0,1,0,0,0,1|1,0,1]=4 3530 B10R0.98 C[C@@H](O)CNCC(=O)N(C)C 2230a_100015183351_100009817552 [0,1,0,0,0,1|1,0,0]=3 3531 B10R0.98 C[C@@H](O)CSCC(=O)N(C)C 62a_100000692301_100009817552 [0,1,0,0,0,1|1,0,0]=3 3532 B10R0.98 C[C@@H](O)CSCC(=O)N(C)C 62a_100009817552_100000692301 [0,1,0,0,0,1|1,0,0]=3 3533 B10R0.98 C[C@H](O)C(=O)CCC=C(F)F 1458a_217856618621_200009816681 [0,1,0,0,0,1|2,0,0]=4 3534 B10R0.98 C[C@H](O)C(=O)CCCN(C)C 1458a_217856618621_100000695564 [0,1,0,0,0,1|1,0,1]=4 3535 B10R0.3 C#CCC(=O)CCC=C(C)C 1458a_100011220946_100011217483 [0,2,0,0,0,0|0,0,2]=4 3536 B10R0.3 C#CCC(=O)CCCC(C)O 1458a_100011220946_200000718107 [0,2,0,0,0,0|1,0,1]=4 3537 B10R0.3 C#CCC(=O)NCCC(C)O 527a_200000755665_100011220946 [0,2,0,0,0,0|2,0,0]=4 3538 B10R0.3 C#CCC(C)OCC=C(C)C 34a_100000685586_100000761012 [0,2,0,0,0,0|2,0,0]=4 3539 B10R0.3 C#CCC(C)OCC=C(C)C 7a_100000685586_100000761012 [0,2,0,0,0,0|2,0,0]=4 3540 B10R0.3 C#CCC(C)OCCC(C)O 34a_100000685586_100012276601 [0,2,0,0,0,0|1,0,1]=4 3541 B10R0.3 C#CCC(C)OCCC(C)O 7a_100000685586_100012276601 [0,2,0,0,0,0|1,0,1]=4 3542 B10R0.3 C#CCN(C)CCC=C(C)C 2230a_100000225692_100011217483 [0,2,0,0,0,0|2,0,0]=4 3543 B10R0.3 C#CCN(C)CCC=C(C)C 34a_100000225692_100011217483 [0,2,0,0,0,0|2,0,0]=4 3544 B10R0.3 C#CCN(C)CCCC(C)O 2230a_100000225692_200000718107 [0,2,0,0,0,0|1,0,1]=4 3545 B10R0.3 C#CCN(C)CCCC(C)O 34a_100000225692_200000718107 [0,2,0,0,0,0|1,0,1]=4 3546 B10R0.3 C/C=C/C(C)OCC=C(C)C 34a_200102604097_100000761012 [0,2,0,0,0,0|2,0,0]=4 3547 B10R0.3 C/C=C/C(C)OCCC(C)O 34a_200102604097_100012276601 [0,2,0,0,0,0|1,0,1]=4 3548 B10R0.3 C=CCC(=O)CCC=C(C)C 1458a_100000210193_100011217483 [0,2,0,0,0,0|0,0,2]=4 3549 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,2,0,0,0,0|1,0,1]=4 3550 B10R0.3 C=CCC(=O)NCCC(C)O 240690a_200000755665_100000210193 [0,2,0,0,0,0|2,0,0]=4 3551 B10R0.3 C=CCC(=O)NCCC(C)O 527a_200000755665_100000210193 [0,2,0,0,0,0|2,0,0]=4 3552 B10R0.3 C=CCN(C)CCC=C(C)C 2230a_100000225617_100011217483 [0,2,0,0,0,0|2,0,0]=4 3553 B10R0.3 C=CCN(C)CCC=C(C)C 269982a_100000225617_100011217483 [0,2,0,0,0,0|2,0,0]=4 3554 B10R0.3 C=CCN(C)CCCC(C)O 2230a_100000225617_200000718107 [0,2,0,0,0,0|1,0,1]=4 3555 B10R0.3 C=CCN(C)CCCC(C)O 269982a_100000225617_200000718107 [0,2,0,0,0,0|1,0,1]=4 3556 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 34a_100000731007_100000761012 [0,2,0,0,0,0|2,0,0]=4 3557 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 7a_100000731007_100000761012 [0,2,0,0,0,0|2,0,0]=4 3558 B10R0.3 C=CC[C@@H](C)OCCC(C)O 34a_100000731007_100012276601 [0,2,0,0,0,0|1,0,1]=4 3559 B10R0.3 C=CC[C@@H](C)OCCC(C)O 7a_100000731007_100012276601 [0,2,0,0,0,0|1,0,1]=4 3560 B10R0.3 CC#CC(=O)CCC=C(C)C 1458a_100000763181_100011217483 [0,2,0,0,0,0|0,0,2]=4 3561 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,2,0,0,0,0|1,0,1]=4 3562 B10R0.3 CC#CC(C)OCC=C(C)C 34a_100011216543_100000761012 [0,2,0,0,0,0|2,0,0]=4 3563 B10R0.3 CC#CC(C)OCCC(C)O 34a_100011216543_100012276601 [0,2,0,0,0,0|1,0,1]=4 3564 B10R0.3 CC(=CCCC(=O)CC#N)C 1458a_100051588842_100011217483 [0,2,0,0,0,0|0,0,2]=4 3565 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,2,0,0,0,0|0,0,2]=4 3566 B10R0.3 CC(=CCCC(C)OCF)C 34a_100102619829_100015361967 [0,2,0,0,0,0|0,0,0]=2 3567 B10R0.3 CC(=CCCC(C)OCF)C 7a_100102619829_100015361967 [0,2,0,0,0,0|0,0,0]=2 3568 B10R0.3 CC(=CCCN(C)CC#N)C 2230a_100000748184_100011217483 [0,2,0,0,0,0|2,0,0]=4 3569 B10R0.3 CC(=CCCN(C)CCO)C 2230a_100000210263_100011217483 [0,2,0,0,0,0|1,0,0]=3 3570 B10R0.3 CC(=CCCN(C)CCO)C 269982a_100000210263_100011217483 [0,2,0,0,0,0|1,0,0]=3 3571 B10R0.3 CC(=CCNC(C)CCO)C 34a_100000718196_100009893172 [0,2,0,0,0,0|1,0,0]=3 3572 B10R0.3 CC(=CCN[C@@H](C)CC#N)C 2230a_100016994482_100000761012 [0,2,0,0,0,0|2,0,0]=4 3573 B10R0.3 CC(=CCN[C@H](C)CCO)C 2230a_100000706166_100000761012 [0,2,0,0,0,0|1,0,0]=3 3574 B10R0.3 CC(=CCN[C@H](C)CCO)C 34a_100000706166_100000761012 [0,2,0,0,0,0|1,0,0]=3 3575 B10R0.3 CC(=CCOC(C)CCBr)C 34a_100012276601_100000761012 [0,2,0,0,0,0|2,0,0]=4 3576 B10R0.3 CC(=CCOC(C)CCO)C 34a_100000753907_100009893172 [0,2,0,0,0,0|1,0,0]=3 3577 B10R0.3 CC(=CCSC(C)CC#N)C 62a_100000761012_100009813641 [0,2,0,0,0,0|2,0,0]=4 3578 B10R0.3 CC(=CCSC(C)CC#N)C 62a_100009813641_100000761012 [0,2,0,0,0,0|2,0,0]=4 3579 B10R0.3 CC(=CCSC(C)CCO)C 62a_100000761012_100009893172 [0,2,0,0,0,0|1,0,0]=3 3580 B10R0.3 CC(=CCSC(C)CCO)C 62a_100009893172_100000761012 [0,2,0,0,0,0|1,0,0]=3 3581 B10R0.3 CC(=NNCC(C)O)CC#N 4a_200000730056_100011229364 [0,2,0,0,0,0|2,0,0]=4 3582 B10R0.3 CC(C)CCCC(C)OCF 34a_200011218570_100015361967 [0,2,0,0,0,0|0,0,2]=4 3583 B10R0.3 CC(C)CCCC(C)OCF 7a_200011218570_100015361967 [0,2,0,0,0,0|0,0,2]=4 3584 B10R0.3 CC(O)CCCC(=O)CC#N 1458a_100051588842_200000718107 [0,2,0,0,0,0|1,0,1]=4 3585 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,2,0,0,0,0|1,0,1]=4 3586 B10R0.3 CC(O)CCCN(C)CC#N 2230a_100000748184_200000718107 [0,2,0,0,0,0|1,0,1]=4 3587 B10R0.3 CC(O)CCCN(C)CCO 2230a_100000210263_200000718107 [0,2,0,0,0,0|1,0,1]=4 3588 B10R0.3 CC(O)CCCN(C)CCO 269982a_100000210263_200000718107 [0,2,0,0,0,0|1,0,1]=4 3589 B10R0.3 CC(O)CCNC(=O)CC#N 240690a_200000755665_100051588842 [0,2,0,0,0,0|2,0,0]=4 3590 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,2,0,0,0,0|2,0,0]=4 3591 B10R0.3 CC(O)CCNC(C)CC#N 2230a_200000755665_100009813641 [0,2,0,0,0,0|1,0,1]=4 3592 B10R0.3 CC(O)CCNC(C)CCO 2230a_200000755665_100009893172 [0,2,0,0,0,0|1,0,1]=4 3593 B10R0.3 CC(O)CCN[C@@H](C)CC#N 2230a_100016994482_100012276601 [0,2,0,0,0,0|1,0,1]=4 3594 B10R0.3 CC(O)CCN[C@H](C)CCO 2230a_100000706166_100012276601 [0,2,0,0,0,0|1,0,1]=4 3595 B10R0.3 CC(O)CCN[C@H](C)CCO 34a_100000706166_100012276601 [0,2,0,0,0,0|1,0,1]=4 3596 B10R0.3 CC(O)CCOC(C)CCBr 34a_100012276601_100012276601 [0,2,0,0,0,0|1,0,1]=4 3597 B10R0.3 CC(O)CCSC(C)CC#N 62a_100009813641_100012276601 [0,2,0,0,0,0|1,0,1]=4 3598 B10R0.3 CC(O)CCSC(C)CC#N 62a_100012276601_100009813641 [0,2,0,0,0,0|1,0,1]=4 3599 B10R0.3 CC(O)CCSC(C)CCO 62a_100009893172_100012276601 [0,2,0,0,0,0|1,0,1]=4 3600 B10R0.3 CC(O)CCSC(C)CCO 62a_100012276601_100009893172 [0,2,0,0,0,0|1,0,1]=4 3601 B10R0.3 CC=CC(=NNCC(C)O)C 4a_200000730056_100011218416 [0,2,0,0,0,0|2,0,0]=4 3602 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,2,0,0,0,0|0,0,2]=4 3603 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,2,0,0,0,0|1,0,1]=4 3604 B10R0.3 CC=CC(=O)NCCC(C)O 240690a_200000755665_100000210699 [0,2,0,0,0,0|2,0,0]=4 3605 B10R0.3 CCCC(=NNCC(C)O)C 4a_200000730056_100000211909 [0,2,0,0,0,0|2,0,0]=4 3606 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,2,0,0,0,0|0,0,2]=4 3607 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,2,0,0,0,0|1,0,1]=4 3608 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,2,0,0,0,0|2,0,0]=4 3609 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,2,0,0,0,0|2,0,0]=4 3610 B10R0.3 CCCC(C)NCC=C(C)C 2230a_100000741246_100000761012 [0,2,0,0,0,0|2,0,0]=4 3611 B10R0.3 CCCC(C)NCC=C(C)C 270004a_100000718196_100000211909 [0,2,0,0,0,0|2,0,0]=4 3612 B10R0.3 CCCC(C)NCC=C(C)C 34a_100000718196_100000766640 [0,2,0,0,0,0|2,0,0]=4 3613 B10R0.3 CCCC(C)NCCC(C)O 2230a_100000741246_100012276601 [0,2,0,0,0,0|1,0,1]=4 3614 B10R0.3 CCCC(C)NCCC(C)O 2230a_200000755665_100000766640 [0,2,0,0,0,0|1,0,1]=4 3615 B10R0.3 CCCC(C)NCCC(C)O 270004a_200000755665_100000211909 [0,2,0,0,0,0|1,0,1]=4 3616 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000753907_100000766640 [0,2,0,0,0,0|2,0,0]=4 3617 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000764384_100000761012 [0,2,0,0,0,0|2,0,0]=4 3618 B10R0.3 CCCC(C)OCC=C(C)C 7a_100000764384_100000761012 [0,2,0,0,0,0|2,0,0]=4 3619 B10R0.3 CCCC(C)OCCC(C)O 34a_100000764384_100012276601 [0,2,0,0,0,0|1,0,1]=4 3620 B10R0.3 CCCC(C)OCCC(C)O 7a_100000764384_100012276601 [0,2,0,0,0,0|1,0,1]=4 3621 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000761012_100000766640 [0,2,0,0,0,0|2,0,0]=4 3622 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000766640_100000761012 [0,2,0,0,0,0|2,0,0]=4 3623 B10R0.3 CCCC(C)SCCC(C)O 62a_100000766640_100012276601 [0,2,0,0,0,0|1,0,1]=4 3624 B10R0.3 CCCC(C)SCCC(C)O 62a_100012276601_100000766640 [0,2,0,0,0,0|1,0,1]=4 3625 B10R0.3 CCCN(C)CCC=C(C)C 2230a_100000747261_100011217483 [0,2,0,0,0,0|2,0,0]=4 3626 B10R0.3 CCCN(C)CCC=C(C)C 269982a_100000747261_100011217483 [0,2,0,0,0,0|2,0,0]=4 3627 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [0,2,0,0,0,0|1,0,1]=4 3628 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [0,2,0,0,0,0|1,0,1]=4 3629 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,2,0,0,0,0|1,0,1]=4 3630 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,2,0,0,0,0|2,0,0]=4 3631 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,2,0,0,0,0|2,0,0]=4 3632 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,2,0,0,0,0|2,0,0]=4 3633 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,2,0,0,0,0|2,0,0]=4 3634 B10R0.3 CCNC(C)CCC=C(C)C 270004a_100015525214_100000765506 [0,2,0,0,0,0|1,0,0]=3 3635 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [0,2,0,0,0,0|0,0,0]=2 3636 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [0,2,0,0,0,0|0,0,0]=2 3637 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,2,0,0,0,0|0,0,2]=4 3638 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,2,0,0,0,0|0,0,2]=4 3639 B10R0.3 CNCC(C)CCC=C(C)C 270004a_106832991635_100000033009 [0,2,0,0,0,0|1,0,0]=3 3640 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,2,0,0,0,0|1,0,1]=4 3641 B10R0.3 CNNC(=O)NCCC(C)O 273464a_200000755665_100016993582 [0,2,0,0,0,0|2,0,0]=4 3642 B10R0.3 CNNC(=O)NCCC(C)O 512a_100016993582_200000755665 [0,2,0,0,0,0|2,0,0]=4 3643 B10R0.3 CNNC(=O)NCCC(C)O 512a_200000755665_100016993582 [0,2,0,0,0,0|2,0,0]=4 3644 B10R0.3 COCC(=NNCC(C)O)C 4a_200000730056_100000749346 [0,2,0,0,0,0|2,0,0]=4 3645 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,2,0,0,0,0|0,0,2]=4 3646 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,2,0,0,0,0|1,0,1]=4 3647 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,2,0,0,0,0|2,0,0]=4 3648 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,2,0,0,0,0|2,0,0]=4 3649 B10R0.3 COCC(C)NCC=C(C)C 270004a_100000718196_100000749346 [0,2,0,0,0,0|1,0,0]=3 3650 B10R0.3 COCC(C)NCC=C(C)C 34a_100000718196_100000765312 [0,2,0,0,0,0|1,0,0]=3 3651 B10R0.3 COCC(C)NCCC(C)O 2230a_200000755665_100000765312 [0,2,0,0,0,0|1,0,1]=4 3652 B10R0.3 COCC(C)NCCC(C)O 270004a_200000755665_100000749346 [0,2,0,0,0,0|1,0,1]=4 3653 B10R0.3 COCC(C)OCC=C(C)C 34a_100000753907_100000765312 [0,2,0,0,0,0|1,0,0]=3 3654 B10R0.3 COCC(C)SCC=C(C)C 62a_100000761012_100000765312 [0,2,0,0,0,0|1,0,0]=3 3655 B10R0.3 COCC(C)SCC=C(C)C 62a_100000765312_100000761012 [0,2,0,0,0,0|1,0,0]=3 3656 B10R0.3 COCC(C)SCCC(C)O 62a_100000765312_100012276601 [0,2,0,0,0,0|1,0,1]=4 3657 B10R0.3 COCC(C)SCCC(C)O 62a_100012276601_100000765312 [0,2,0,0,0,0|1,0,1]=4 3658 B10R0.3 COC[C@@H](C)NCC=C(C)C 2230a_100000764878_100000761012 [0,2,0,0,0,0|1,0,0]=3 3659 B10R0.3 COC[C@@H](C)NCCC(C)O 2230a_100000764878_100012276601 [0,2,0,0,0,0|1,0,1]=4 3660 B10R0.3 COC[C@@H](C)OCC=C(C)C 34a_100011934205_100000761012 [0,2,0,0,0,0|1,0,0]=3 3661 B10R0.3 COC[C@@H](C)OCCC(C)O 34a_100011934205_100012276601 [0,2,0,0,0,0|1,0,1]=4 3662 B10R0.3 CSCC(=NNCC(C)O)C 4a_200000730056_100011216314 [0,2,0,0,0,0|2,0,0]=4 3663 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,2,0,0,0,0|0,0,2]=4 3664 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,2,0,0,0,0|1,0,1]=4 3665 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [0,2,0,0,0,0|2,0,0]=4 3666 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [0,2,0,0,0,0|2,0,0]=4 3667 B10R0.3 CSCC(C)NCC=C(C)C 270004a_100000718196_100011216314 [0,2,0,0,0,0|1,1,0]=4 3668 B10R0.3 CSCC(C)NCCC(C)O 270004a_200000755665_100011216314 [0,2,0,0,0,0|1,0,1]=4 3669 B10R0.44 C#CC(C)OC(C)C=C(C)C 34a_100000717055_200000035995 [0,2,0,0,0,0|2,0,0]=4 3670 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)C 1458a_100000211388_100000059175 [0,2,0,0,0,0|0,0,1]=3 3671 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)Cl 1458a_200042562850_100000059175 [0,2,0,0,0,0|1,0,1]=4 3672 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)I 1458a_100025716642_100000059175 [0,2,0,0,0,0|1,0,1]=4 3673 B10R0.44 CC(=CC(=O)N[C@H](C)CO)C 240690a_100000737577_100000211388 [0,2,0,0,0,0|1,0,1]=4 3674 B10R0.44 CC(=CC(C)OC(C)CO)C 34a_100000717055_100012180447 [0,2,0,0,0,0|1,0,0]=3 3675 B10R0.44 CCC(=CC(=O)CC(C)C)C 1458a_100020758463_100000210624 [0,2,0,0,0,0|1,0,1]=4 3676 B10R0.44 CCC(=CC(=O)CC(C)O)C 1458a_100020758463_100011218427 [0,2,0,0,0,0|0,0,1]=3 3677 B10R0.44 CCC(C)CC(=O)C=C(C)C 1458a_100000211388_100000748023 [0,2,0,0,0,0|1,0,1]=4 3678 B10R0.44 CCC(C)OC(C)C=C(C)C 34a_100000717055_100011215416 [0,2,0,0,0,0|2,0,0]=4 3679 B10R0.44 CCC(O)CC(=O)C=C(C)C 1458a_100000211388_100011218378 [0,2,0,0,0,0|0,0,1]=3 3680 B10R0.44 CCC(O)CC(=O)C=C(C)Cl 1458a_200042562850_100011218378 [0,2,0,0,0,0|1,0,1]=4 3681 B10R0.44 CCC(O)CC(=O)C=C(C)I 1458a_100025716642_100011218378 [0,2,0,0,0,0|1,0,1]=4 3682 B10R0.44 CC[C@H](C)CC(=O)C=C(C)C 1458a_100000211388_100009816398 [0,2,0,0,0,0|1,0,1]=4 3683 B10R0.57 C#CC(C)C(=O)CC=C(C)C 1458a_100011220947_200000035995 [0,2,0,0,0,0|1,0,1]=4 3684 B10R0.57 C/C=C(\C)/C(=O)CCC(C)C 1458a_100020587367_100000210312 [0,2,0,0,0,0|1,0,0]=3 3685 B10R0.57 C/C=C(\C)/C(=O)CCC(C)O 1458a_100020587367_100012276601 [0,2,0,0,0,0|0,0,0]=2 3686 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 11a_100000210953_100020587367 [0,2,0,0,0,0|2,0,0]=4 3687 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 1626a_100000210953_100020587367 [0,2,0,0,0,0|2,0,0]=4 3688 B10R0.57 C/C=C(\C)/C(=O)NCC(C)O 11a_100000210904_100020587367 [0,2,0,0,0,0|1,0,0]=3 3689 B10R0.57 C/C=C(\C)/C(C)NCC(C)O 269862a_100000210904_100020675665 [0,2,0,0,0,0|1,0,1]=4 3690 B10R0.57 C=C(C)CCC(=O)/C(=C/C)/C 1458a_100020587367_100000730704 [0,2,0,0,0,0|1,0,1]=4 3691 B10R0.57 C=CC(C)C(=O)CC=C(C)C 1458a_100011216780_100000761012 [0,2,0,0,0,0|1,0,1]=4 3692 B10R0.57 C=CC(C)C(=O)CCC(C)O 1458a_100011216780_100012276601 [0,2,0,0,0,0|0,0,2]=4 3693 B10R0.57 CC(=CCC(=O)C(C)C#N)C 1458a_100000753662_100000761012 [0,2,0,0,0,0|1,0,1]=4 3694 B10R0.57 CC(=CCC(=O)C(C)C#N)C 1458a_100011220947_100000703298 [0,2,0,0,0,0|1,0,1]=4 3695 B10R0.57 CC(=CCC(=O)C(O)CO)C 1458a_100011215603_100000761012 [0,2,0,0,0,0|0,0,1]=3 3696 B10R0.57 CC(=CCN(C)C(C)CO)C 2230a_100000693034_100000761012 [0,2,0,0,0,0|1,0,0]=3 3697 B10R0.57 CC(=CCN(C)C(C)CO)C 269982a_100000693034_100000761012 [0,2,0,0,0,0|1,0,0]=3 3698 B10R0.57 CC(O)CCC(=O)C(C)C#N 1458a_100000753662_100012276601 [0,2,0,0,0,0|0,0,2]=4 3699 B10R0.57 CC(O)CCC(=O)C(O)CO 1458a_100011215603_100012276601 [0,2,0,0,0,0|1,0,1]=4 3700 B10R0.57 CC(O)CCN(C)C(C)CO 2230a_100000693034_100012276601 [0,2,0,0,0,0|1,0,1]=4 3701 B10R0.57 CC(O)CCN(C)C(C)CO 269982a_100000693034_100012276601 [0,2,0,0,0,0|1,0,1]=4 3702 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011192722_100000761012 [0,2,0,0,0,0|1,0,1]=4 3703 B10R0.57 CCC(C)C(=O)CC=C(C)C 1458a_100011220947_100000758301 [0,2,0,0,0,0|1,0,1]=4 3704 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100000181311_100000758301 [0,2,0,0,0,0|1,0,1]=4 3705 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100011192722_100000210312 [0,2,0,0,0,0|1,0,1]=4 3706 B10R0.57 CCC(C)C(=O)CCC(C)O 1458a_100011192722_100012276601 [0,2,0,0,0,0|0,0,1]=3 3707 B10R0.57 CCC(C)C(=O)NCC(C)O 11a_100000210904_100011192722 [0,2,0,0,0,0|1,0,1]=4 3708 B10R0.57 CCC(C)C(=O)NCC(C)O 240690a_100000210904_100011192722 [0,2,0,0,0,0|1,0,1]=4 3709 B10R0.57 CCC(C)C(=O)NCC(C)O 527a_100000210904_100011192722 [0,2,0,0,0,0|1,0,1]=4 3710 B10R0.57 CCC(C)N(C)CC=C(C)C 2230a_100000741768_100000761012 [0,2,0,0,0,0|2,0,0]=4 3711 B10R0.57 CCC(C)N(C)CC=C(C)C 269982a_100000741768_100000761012 [0,2,0,0,0,0|2,0,0]=4 3712 B10R0.57 CCC(C)N(C)CCC(C)O 2230a_100000741768_100012276601 [0,2,0,0,0,0|1,0,1]=4 3713 B10R0.57 CCC(C)N(C)CCC(C)O 269982a_100000741768_100012276601 [0,2,0,0,0,0|1,0,1]=4 3714 B10R0.57 CCC(O)C(=O)CC=C(C)C 1458a_100011196387_100000761012 [0,2,0,0,0,0|0,0,1]=3 3715 B10R0.57 CCC(O)C(=O)CCC(C)O 1458a_100011196387_100012276601 [0,2,0,0,0,0|1,0,1]=4 3716 B10R0.57 CCN(C)C(=O)CCC(C)C 11a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 3717 B10R0.57 CCN(C)C(=O)CCC(C)C 1626a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 3718 B10R0.57 CCN(C)C(=O)CCC(C)C 240690a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 3719 B10R0.57 CCN(C)C(=O)CCC(C)C 527a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 3720 B10R0.57 CCN(C)C(=O)CCC(C)O 1626a_100000225621_100000718519 [0,2,0,0,0,0|1,0,0]=3 3721 B10R0.57 CCN(C)C(=O)NCC(C)O 273464a_100000210904_100000225621 [0,2,0,0,0,0|2,0,0]=4 3722 B10R0.57 CNC(=O)C(=O)CCC(C)C 1458a_100011218921_100000210312 [0,2,0,0,0,0|2,0,0]=4 3723 B10R0.57 CNC(=O)C(=O)CCC(C)O 1458a_100011218921_100012276601 [0,2,0,0,0,0|1,0,0]=3 3724 B10R0.57 CNC(=O)C(=O)NCC(C)O 240690a_100000210904_100011218921 [0,2,0,0,0,0|2,0,0]=4 3725 B10R0.57 CNC(=O)C(=O)NCC(C)O 527a_100000210904_100011218921 [0,2,0,0,0,0|2,0,0]=4 3726 B10R0.57 COC(=O)C(=O)NCC(C)O 11a_100000210904_100000024059 [0,2,0,0,0,0|2,0,0]=4 3727 B10R0.57 COC(=O)C(=O)NCC(C)O 240690a_100000210904_100000024059 [0,2,0,0,0,0|2,0,0]=4 3728 B10R0.57 COC(=O)C(=O)NCC(C)O 527a_100000210904_100000024059 [0,2,0,0,0,0|2,0,0]=4 3729 B10R0.57 COC(C)C(=O)CC=C(C)C 1458a_100000743197_100000761012 [0,2,0,0,0,0|0,0,1]=3 3730 B10R0.57 COC(C)C(=O)CCC(C)C 1458a_100000743197_100000210312 [0,2,0,0,0,0|1,0,1]=4 3731 B10R0.57 COC(C)C(=O)CCC(C)O 1458a_100000743197_100012276601 [0,2,0,0,0,0|0,0,1]=3 3732 B10R0.57 COC(C)C(=O)NCC(C)O 11a_100000210904_100000743197 [0,2,0,0,0,0|1,0,1]=4 3733 B10R0.57 COC(C)C(=O)NCC(C)O 240690a_100000210904_100000743197 [0,2,0,0,0,0|1,0,1]=4 3734 B10R0.57 COC(C)C(=O)NCC(C)O 527a_100000210904_100000743197 [0,2,0,0,0,0|1,0,1]=4 3735 B10R0.57 CSC(C)C(=O)CC=C(C)C 1458a_100000149566_100000761012 [0,2,0,0,0,0|0,1,1]=4 3736 B10R0.57 CSC(C)C(=O)CCC(C)C 1458a_100000149566_100000210312 [0,2,0,0,0,0|1,0,1]=4 3737 B10R0.57 CSC(C)C(=O)CCC(C)O 1458a_100000149566_100012276601 [0,2,0,0,0,0|0,0,1]=3 3738 B10R0.57 CSC(C)C(=O)NCC(C)O 11a_100000210904_100000149566 [0,2,0,0,0,0|1,0,1]=4 3739 B10R0.57 CSC(C)C(=O)NCC(C)O 240690a_100000210904_100000149566 [0,2,0,0,0,0|1,0,1]=4 3740 B10R0.57 CSC(C)C(=O)NCC(C)O 527a_100000210904_100000149566 [0,2,0,0,0,0|1,0,1]=4 3741 B10R0.59 C#C/C(=C\COC(C)CO)/C 34a_100016990848_100012180447 [0,2,0,0,0,0|1,0,1]=4 3742 B10R0.59 CC(CO)CCNC(=O)CO 240690a_106354213184_100000210174 [0,2,0,0,0,0|2,0,0]=4 3743 B10R0.59 CC(CO)CCNC(=O)CO 527a_106354213184_100000210174 [0,2,0,0,0,0|2,0,0]=4 3744 B10R0.59 CC(CO)CCNC(C)CO 2230a_106354213184_100012180447 [0,2,0,0,0,0|1,0,1]=4 3745 B10R0.59 CC(CO)CCNC(C)CO 34a_106354213184_100012180447 [0,2,0,0,0,0|1,0,1]=4 3746 B10R0.59 CCC(=O)NCCC(C)CO 240690a_106354213184_100000210414 [0,2,0,0,0,0|2,0,0]=4 3747 B10R0.59 CCC(=O)NCCC(C)CO 527a_106354213184_100000210414 [0,2,0,0,0,0|2,0,0]=4 3748 B10R0.59 CCC(C)NCCC(C)CO 2230a_106354213184_100000758301 [0,2,0,0,0,0|1,0,1]=4 3749 B10R0.59 CCC(C)NCCC(C)CO 34a_106354213184_100011215416 [0,2,0,0,0,0|1,0,1]=4 3750 B10R0.59 CCC(C)OCCC(C)OC 7a_100000764861_100000758301 [0,2,0,0,0,0|1,0,1]=4 3751 B10R0.59 CCC(O)CNN=C(C)CF 4a_100015206393_100000039719 [0,2,0,0,0,0|2,0,0]=4 3752 B10R0.59 CCC(O)CNN=C(C)CO 4a_100015206393_100000211253 [0,2,0,0,0,0|2,0,0]=4 3753 B10R0.59 CNC(=O)NCCC(C)CO 2708a_100102657272_106354213184 [0,2,0,0,0,0|2,0,0]=4 3754 B10R0.59 CNC(=O)NCCC(C)CO 273464a_100102657272_106354213184 [0,2,0,0,0,0|2,0,0]=4 3755 B10R0.59 CNC(=O)NCCC(C)CO 273464a_106354213184_100102657272 [0,2,0,0,0,0|2,0,0]=4 3756 B10R0.59 CNC(=O)NCCC(C)CO 512a_106354213184_100102657272 [0,2,0,0,0,0|2,0,0]=4 3757 B10R0.59 CNC(=O)NCCC(C)CO 512a_106832991638_106354213184 [0,2,0,0,0,0|2,0,0]=4 3758 B10R0.59 COC(C)CCOC(C)CO 7a_100000764861_100012180447 [0,2,0,0,0,0|1,0,1]=4 3759 B10R0.60 CC(C)(O)CCNC(=O)CO 527a_100000707701_100000210174 [0,2,0,0,0,0|2,0,0]=4 3760 B10R0.60 CC(CF)OCCC(C)(C)O 34a_100016041109_100000702414 [0,2,0,0,0,0|1,0,1]=4 3761 B10R0.60 CC(CF)OCCC(C)(C)O 7a_100016041109_100000702414 [0,2,0,0,0,0|1,0,1]=4 3762 B10R0.60 CC(CN)OCCC(C)(C)O 34a_100000210904_100000702414 [0,2,0,0,0,0|1,0,1]=4 3763 B10R0.60 CC(CO)CCNC(C)(C)C 34a_106354213184_100000210625 [0,2,0,0,0,0|1,0,1]=4 3764 B10R0.60 CC(CO)SCCC(C)(C)O 62a_100012180447_100000702414 [0,2,0,0,0,0|1,0,1]=4 3765 B10R0.60 CCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210414 [0,2,0,0,0,0|2,0,0]=4 3766 B10R0.60 CCC(=O)NCCC(C)(C)O 527a_100000707701_100000210414 [0,2,0,0,0,0|2,0,0]=4 3767 B10R0.60 CCC(C)NCCC(C)(C)O 2230a_100000209981_100000702414 [0,2,0,0,0,0|1,0,1]=4 3768 B10R0.60 CCC(C)OCCC(C)(C)O 7a_100000210228_100000702414 [0,2,0,0,0,0|1,0,1]=4 3769 B10R0.60 CCC(C)SCCC(C)(C)O 62a_100000702414_100000758301 [0,2,0,0,0,0|1,0,1]=4 3770 B10R0.60 CCC(C)SCCC(C)(C)O 62a_100000758301_100000702414 [0,2,0,0,0,0|1,0,1]=4 3771 B10R0.60 CCN(C)CCCC(C)(C)O 2230a_100000225621_100009888830 [0,2,0,0,0,0|1,0,1]=4 3772 B10R0.60 CCN(C)CCCC(C)(C)O 269982a_100000225621_100009888830 [0,2,0,0,0,0|1,0,1]=4 3773 B10R0.60 CNC(=O)NCCC(C)(C)O 2708a_100000707701_106832991635 [0,2,0,0,0,0|2,0,0]=4 3774 B10R0.60 CNC(=O)NCCC(C)(C)O 2708a_100102657272_100000707701 [0,2,0,0,0,0|2,0,0]=4 3775 B10R0.60 CNC(=O)NCCC(C)(C)O 273464a_100000707701_100102657272 [0,2,0,0,0,0|2,0,0]=4 3776 B10R0.60 CNC(=O)NCCC(C)(C)O 273464a_100102657272_100000707701 [0,2,0,0,0,0|2,0,0]=4 3777 B10R0.60 CNC(=O)NCCC(C)(C)O 512a_100000707701_100102657272 [0,2,0,0,0,0|2,0,0]=4 3778 B10R0.60 CNC(=O)NCCC(C)(C)O 512a_106832991638_100000707701 [0,2,0,0,0,0|2,0,0]=4 3779 B10R0.60 COC(C)SCCC(C)(C)O 62a_100000702414_100009879195 [0,2,0,0,0,0|1,0,1]=4 3780 B10R0.60 COC(C)SCCC(C)(C)O 62a_100009879195_100000702414 [0,2,0,0,0,0|1,0,1]=4 3781 B10R0.60 C[C@H](CO)NCCC(C)(C)O 2230a_100000737577_100000702414 [0,2,0,0,0,0|1,0,1]=4 3782 B10R0.60 C[C@H](CO)SCCC(C)(C)O 62a_100000702414_100016084084 [0,2,0,0,0,0|1,0,1]=4 3783 B10R0.60 C[C@H](CO)SCCC(C)(C)O 62a_100016084084_100000702414 [0,2,0,0,0,0|1,0,1]=4 3784 B10R0.65 C#CC(C)(C)NCC=C(C)C 34a_100000054563_100000761012 [0,2,0,0,0,0|2,0,0]=4 3785 B10R0.65 C#CC(C)(C)NCC=C(C)C 34a_100000718196_100000038118 [0,2,0,0,0,0|2,0,0]=4 3786 B10R0.65 C#CC(C)(C)NCCC(C)O 34a_100000054563_100012276601 [0,2,0,0,0,0|1,0,1]=4 3787 B10R0.65 C#CC(C)(C)OCC=C(C)C 34a_100000189450_100000761012 [0,2,0,0,0,0|2,0,0]=4 3788 B10R0.65 C#CC(C)(C)OCC=C(C)C 34a_100000753907_100000038118 [0,2,0,0,0,0|2,0,0]=4 3789 B10R0.65 C#CC(C)(C)OCC=C(C)C 7a_100000189450_100000761012 [0,2,0,0,0,0|2,0,0]=4 3790 B10R0.65 C#CC(C)(C)OCCC(C)O 34a_100000189450_100012276601 [0,2,0,0,0,0|1,0,1]=4 3791 B10R0.65 C#CC(C)(C)OCCC(C)O 7a_100000189450_100012276601 [0,2,0,0,0,0|1,0,1]=4 3792 B10R0.65 C#CC(C)(C)SCC=C(C)C 62a_100000038118_100000761012 [0,2,0,0,0,0|2,0,0]=4 3793 B10R0.65 C#CC(C)(C)SCC=C(C)C 62a_100000761012_100000038118 [0,2,0,0,0,0|2,0,0]=4 3794 B10R0.65 C#CC(C)(C)SCCC(C)O 62a_100000038118_100012276601 [0,2,0,0,0,0|1,0,1]=4 3795 B10R0.65 C#CC(C)(C)SCCC(C)O 62a_100012276601_100000038118 [0,2,0,0,0,0|1,0,1]=4 3796 B10R0.65 C=CC(C)(C)OCC=C(C)C 34a_100011215311_100000761012 [0,2,0,0,0,0|2,0,0]=4 3797 B10R0.65 C=CC(C)(C)OCC=C(C)C 7a_100011215311_100000761012 [0,2,0,0,0,0|2,0,0]=4 3798 B10R0.65 C=CC(C)(C)OCCC(C)O 34a_100011215311_100012276601 [0,2,0,0,0,0|1,0,1]=4 3799 B10R0.65 C=CC(C)(C)OCCC(C)O 7a_100011215311_100012276601 [0,2,0,0,0,0|1,0,1]=4 3800 B10R0.65 CC(=CCNC(C)(C)C#N)C 34a_100000718196_100011162410 [0,2,0,0,0,0|2,0,0]=4 3801 B10R0.65 CC(=CCNC(C)(C)CO)C 2230a_100000210608_100000761012 [0,2,0,0,0,0|1,0,0]=3 3802 B10R0.65 CC(=CCOC(C)(C)C#N)C 34a_100000753907_100011162410 [0,2,0,0,0,0|2,0,0]=4 3803 B10R0.65 CC(=CCOC(C)(C)C#N)C 34a_200015195151_100000761012 [0,2,0,0,0,0|2,0,0]=4 3804 B10R0.65 CC(=CCOC(C)(C)CCl)C 7a_100000764493_100000761012 [0,2,0,0,0,0|2,0,0]=4 3805 B10R0.65 CC(=CCSC(C)(C)C#N)C 62a_100000761012_100011162410 [0,2,0,0,0,0|2,0,0]=4 3806 B10R0.65 CC(=CCSC(C)(C)C#N)C 62a_100011162410_100000761012 [0,2,0,0,0,0|2,0,0]=4 3807 B10R0.65 CC(=CCSC(F)(F)CO)C 62a_100000761012_100011217949 [0,2,0,0,0,0|2,0,0]=4 3808 B10R0.65 CC(=CCSC(F)(F)CO)C 62a_100011217949_100000761012 [0,2,0,0,0,0|2,0,0]=4 3809 B10R0.65 CC(C)CCCC(C)(C)O[13CH3] 7a_100011215742_200025704644 [0,2,0,0,0,0|0,0,2]=4 3810 B10R0.65 CC(O)CCNC(C)(C)CO 2230a_100000210608_100012276601 [0,2,0,0,0,0|1,0,1]=4 3811 B10R0.65 CC(O)CCOC(C)(C)C#N 34a_200015195151_100012276601 [0,2,0,0,0,0|1,0,1]=4 3812 B10R0.65 CC(O)CCOC(C)(C)CCl 7a_100000764493_100012276601 [0,2,0,0,0,0|1,0,1]=4 3813 B10R0.65 CC(O)CCSC(C)(C)C#N 62a_100011162410_100012276601 [0,2,0,0,0,0|1,0,1]=4 3814 B10R0.65 CC(O)CCSC(C)(C)C#N 62a_100012276601_100011162410 [0,2,0,0,0,0|1,0,1]=4 3815 B10R0.65 CCC(C)(C)NCC=C(C)C 2230a_100000211385_100000761012 [0,2,0,0,0,0|2,0,0]=4 3816 B10R0.65 CCC(C)(C)NCCC(C)O 2230a_100000211385_100012276601 [0,2,0,0,0,0|1,0,1]=4 3817 B10R0.65 CCC(C)(C)OCC=C(C)C 7a_100000210230_100000761012 [0,2,0,0,0,0|2,0,0]=4 3818 B10R0.65 CCC(C)(C)OCCC(C)O 7a_100000210230_100012276601 [0,2,0,0,0,0|1,0,1]=4 3819 B10R0.65 CCC(C)(C)SCC=C(C)C 62a_100000032637_100000761012 [0,2,0,0,0,0|2,0,0]=4 3820 B10R0.65 CCC(C)(C)SCC=C(C)C 62a_100000761012_100000032637 [0,2,0,0,0,0|2,0,0]=4 3821 B10R0.65 CCC(C)(C)SCCC(C)O 62a_100000032637_100012276601 [0,2,0,0,0,0|1,0,1]=4 3822 B10R0.65 CCC(C)(C)SCCC(C)O 62a_100012276601_100000032637 [0,2,0,0,0,0|1,0,1]=4 3823 B10R0.65 COC(C)(C)CCCC(C)C 7a_100011215742_200000210301 [0,2,0,0,0,0|0,0,2]=4 3824 B10R0.65 COC(C)(C)CCOC(C)C 7a_100000699976_100000210206 [0,2,0,0,0,0|1,0,1]=4 3825 B10R0.77 C#CC(CC)OCC=C(C)C 34a_100000758843_100000761012 [0,2,0,0,0,0|2,0,0]=4 3826 B10R0.77 C#CC(CC)OCC=C(C)C 7a_100000758843_100000761012 [0,2,0,0,0,0|2,0,0]=4 3827 B10R0.77 C=CC(CC)OCC=C(C)C 34a_100000766422_100000761012 [0,2,0,0,0,0|2,0,0]=4 3828 B10R0.77 C=CC(CC)OCC=C(C)C 7a_100000766422_100000761012 [0,2,0,0,0,0|2,0,0]=4 3829 B10R0.77 C=C[C@@H](CO)NCC=C(C)C 2230a_100016989147_100000761012 [0,2,0,0,0,0|1,0,1]=4 3830 B10R0.77 C=C[C@@H](CO)NCC=C(C)C 34a_100016989147_100000761012 [0,2,0,0,0,0|1,0,1]=4 3831 B10R0.77 CC(=CCNC(CO)CO)C 2230a_100000759517_100000761012 [0,2,0,0,0,0|1,0,0]=3 3832 B10R0.77 CC(=CCOC(CCl)CCl)C 7a_100000737055_100000761012 [0,2,0,0,0,0|2,0,0]=4 3833 B10R0.77 CC(=CCOC(CF)CF)C 34a_100000032261_100000761012 [0,2,0,0,0,0|2,0,0]=4 3834 B10R0.77 CC(=CCOC(CF)CF)C 7a_100000032261_100000761012 [0,2,0,0,0,0|2,0,0]=4 3835 B10R0.77 CC(=CCOC(CN)CN)C 34a_100000031598_100000761012 [0,2,0,0,0,0|2,0,0]=4 3836 B10R0.77 CC(=CCO[C@@H](CF)CCl)C 34a_100015614560_100000761012 [0,2,0,0,0,0|2,0,0]=4 3837 B10R0.77 CC(=CCO[C@@H](CF)CCl)C 7a_100015614560_100000761012 [0,2,0,0,0,0|2,0,0]=4 3838 B10R0.77 CC(O)CCNC(CO)CO 2230a_100000759517_100012276601 [0,2,0,0,0,0|1,0,1]=4 3839 B10R0.77 CC(O)CCOC(CCl)CCl 7a_100000737055_100012276601 [0,2,0,0,0,0|1,0,1]=4 3840 B10R0.77 CC(O)CCOC(CF)CF 34a_100000032261_100012276601 [0,2,0,0,0,0|1,0,1]=4 3841 B10R0.77 CC(O)CCOC(CF)CF 7a_100000032261_100012276601 [0,2,0,0,0,0|1,0,1]=4 3842 B10R0.77 CC(O)CCOC(CN)CN 34a_100000031598_100012276601 [0,2,0,0,0,0|1,0,1]=4 3843 B10R0.77 CC(O)CCO[C@@H](CF)CCl 34a_100015614560_100012276601 [0,2,0,0,0,0|1,0,1]=4 3844 B10R0.77 CC(O)CCO[C@@H](CF)CCl 7a_100015614560_100012276601 [0,2,0,0,0,0|1,0,1]=4 3845 B10R0.77 CC(O)CNN=C(CF)CF 4a_200000730056_100000041867 [0,2,0,0,0,0|2,0,0]=4 3846 B10R0.77 CC(O)CNN=C(CO)CO 4a_200000730056_100000036256 [0,2,0,0,0,0|2,0,0]=4 3847 B10R0.77 CCC(=NNCC(C)O)CC 4a_200000730056_100000210860 [0,2,0,0,0,0|2,0,0]=4 3848 B10R0.77 CCC(=NNCC(C)O)CO 4a_200000730056_100000725409 [0,2,0,0,0,0|2,0,0]=4 3849 B10R0.77 CCC(CC)NCC=C(C)C 2230a_100000199018_100000761012 [0,2,0,0,0,0|2,0,0]=4 3850 B10R0.77 CCC(CC)NCC=C(C)C 270004a_100000718196_100000210860 [0,2,0,0,0,0|2,0,0]=4 3851 B10R0.77 CCC(CC)NCCC(C)O 2230a_100000199018_100012276601 [0,2,0,0,0,0|1,0,1]=4 3852 B10R0.77 CCC(CC)NCCC(C)O 270004a_200000755665_100000210860 [0,2,0,0,0,0|1,0,1]=4 3853 B10R0.77 CCC(CC)OCC=C(C)C 7a_100000688536_100000761012 [0,2,0,0,0,0|2,0,0]=4 3854 B10R0.77 CCC(CC)OCCC(C)O 7a_100000688536_100012276601 [0,2,0,0,0,0|1,0,1]=4 3855 B10R0.77 CCC(CC)SCC=C(C)C 62a_100000210505_100000761012 [0,2,0,0,0,0|2,0,0]=4 3856 B10R0.77 CCC(CC)SCC=C(C)C 62a_100000761012_100000210505 [0,2,0,0,0,0|2,0,0]=4 3857 B10R0.77 CCC(CC)SCCC(C)O 62a_100000210505_100012276601 [0,2,0,0,0,0|1,0,1]=4 3858 B10R0.77 CCC(CC)SCCC(C)O 62a_100012276601_100000210505 [0,2,0,0,0,0|1,0,1]=4 3859 B10R0.77 CCN(CC)CCC=C(C)C 2230a_100000724800_100011217483 [0,2,0,0,0,0|2,0,0]=4 3860 B10R0.77 CCN(CC)CCC=C(C)C 269956a_100000042499_100011217483 [0,2,0,0,0,0|2,0,0]=4 3861 B10R0.77 CCN(CC)CCC=C(C)C 269982a_100000724800_100011217483 [0,2,0,0,0,0|2,0,0]=4 3862 B10R0.77 CCN(CC)CCCC(C)O 2230a_100000724800_200000718107 [0,2,0,0,0,0|1,0,1]=4 3863 B10R0.77 CCN(CC)CCCC(C)O 269956a_100000042499_200000718107 [0,2,0,0,0,0|1,0,1]=4 3864 B10R0.77 CCN(CC)CCCC(C)O 269982a_100000724800_200000718107 [0,2,0,0,0,0|1,0,1]=4 3865 B10R0.77 CC[C@@H](CO)NCC=C(C)C 2230a_100000709445_100000761012 [0,2,0,0,0,0|1,0,0]=3 3866 B10R0.77 CC[C@@H](CO)NCCC(C)O 2230a_100000709445_100012276601 [0,2,0,0,0,0|1,0,1]=4 3867 B10R0.77 COC(CCCC(=O)C)OC 1458a_100000070787_100000069011 [0,2,0,0,0,0|1,0,1]=4 3868 B10R0.77 COC(CCCN(C)C)OC 2230a_100102631434_100000069011 [0,2,0,0,0,0|1,0,1]=4 3869 B10R0.77 COC(CCCN(C)C)OC 269982a_100102631434_100000069011 [0,2,0,0,0,0|1,0,1]=4 3870 B10R0.77 COC(CCNC(C)C)OC 2230a_100138425928_100009813347 [0,2,0,0,0,0|1,0,1]=4 3871 B10R0.77 COC(CCNC(C)C)OC 34a_100138425928_100000139399 [0,2,0,0,0,0|1,0,1]=4 3872 B10R0.77 COC(CCOC(C)C)OC 34a_100000212225_100000139399 [0,2,0,0,0,0|1,0,1]=4 3873 B10R0.77 COC(CCSC(C)C)OC 62a_100000139399_100000210206 [0,2,0,0,0,0|1,0,1]=4 3874 B10R0.77 COC(CCSC(C)C)OC 62a_100000210206_100000139399 [0,2,0,0,0,0|1,0,1]=4 3875 B10R0.82 C=C(C)C(=O)NCC(C)OC 34a_100000065599_200000210301 [0,2,0,0,0,0|1,0,1]=4 3876 B10R0.82 C=C(C)C(=O)NCC(C)O[13CH3] 34a_100000065599_200025704644 [0,2,0,0,0,0|1,0,1]=4 3877 B10R0.82 C=C(C)C(=O)NCC(O)CC 11a_100011218483_100000185857 [0,2,0,0,0,0|1,0,1]=4 3878 B10R0.82 C=C(C)C(=O)NC[C@@H](C)OC 11a_100020591295_100000185857 [0,2,0,0,0,0|1,0,1]=4 3879 B10R0.82 C=C(C)C(=O)NC[C@@H](C)OC 1626a_100020591295_100000185857 [0,2,0,0,0,0|1,0,1]=4 3880 B10R0.82 C=C(C)C(=O)OCC(C)OC 7a_100000061822_200000210301 [0,2,0,0,0,0|1,0,1]=4 3881 B10R0.82 C=C(C)C(=O)OCC(C)O[13CH3] 7a_100000061822_200025704644 [0,2,0,0,0,0|1,0,1]=4 3882 B10R0.82 CC(=O)C(=O)CSC(C)CO 62a_100012180447_100011261029 [0,2,0,0,0,0|2,0,0]=4 3883 B10R0.82 CC(=O)C(=O)CS[C@H](C)CO 62a_100011261029_100016084084 [0,2,0,0,0,0|2,0,0]=4 3884 B10R0.82 CC(=O)C(=O)CS[C@H](C)CO 62a_100016084084_100011261029 [0,2,0,0,0,0|2,0,0]=4 3885 B10R0.82 CC(C)C(=O)CN[C@H](C)CO 2230a_100000737577_100000753385 [0,2,0,0,0,0|1,0,1]=4 3886 B10R0.82 CC(C)C(=O)CS[C@H](C)CO 62a_100000753385_100016084084 [0,2,0,0,0,0|1,0,1]=4 3887 B10R0.82 CC(C)C(=O)CS[C@H](C)CO 62a_100016084084_100000753385 [0,2,0,0,0,0|1,0,1]=4 3888 B10R0.82 CC(C)C(=O)NC[C@H](O)CO 240690a_100020644852_100000210198 [0,2,0,0,0,0|1,0,1]=4 3889 B10R0.82 CC(C)C(=O)NC[C@H](O)CO 527a_100020644852_100000210198 [0,2,0,0,0,0|1,0,1]=4 3890 B10R0.82 CC(CO)CNC(=O)C(C)C 240690a_100000744482_100000210198 [0,2,0,0,0,0|1,0,1]=4 3891 B10R0.82 CC(CO)CNC(=O)C(C)C 527a_100000744482_100000210198 [0,2,0,0,0,0|1,0,1]=4 3892 B10R0.82 CC(CO)NCC(=O)N(C)C 2230a_100015183351_100012180447 [0,2,0,0,0,0|2,0,0]=4 3893 B10R0.82 CC(CO)SCC(=O)C(C)C 62a_100012180447_100000753385 [0,2,0,0,0,0|1,0,1]=4 3894 B10R0.82 CC(CO)SCC(=O)N(C)C 62a_100012180447_100000692301 [0,2,0,0,0,0|2,0,0]=4 3895 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [0,2,0,0,0,0|1,0,1]=4 3896 B10R0.82 CCC(C)CCC(=O)N(C)C 11a_100102631434_100000701222 [0,2,0,0,0,0|2,0,0]=4 3897 B10R0.82 CCC(C)CCC(=O)N(C)C 1626a_100102631434_100000701222 [0,2,0,0,0,0|2,0,0]=4 3898 B10R0.82 CCC(C)CCC(=O)N(C)C 240690a_100102631434_100000701222 [0,2,0,0,0,0|2,0,0]=4 3899 B10R0.82 CCC(C)CCC(=O)N(C)C 527a_100102631434_100000701222 [0,2,0,0,0,0|2,0,0]=4 3900 B10R0.82 CCC(O)CCC(=O)N(C)C 1626a_100102631434_203496584001 [0,2,0,0,0,0|1,0,0]=3 3901 B10R0.82 CCC(O)CCC(=O)N(C)C 240690a_100102631434_203496584001 [0,2,0,0,0,0|1,0,0]=3 3902 B10R0.82 CCC(O)CNC(=O)C(C)C 11a_100011218483_100000210198 [0,2,0,0,0,0|1,0,1]=4 3903 B10R0.82 CCC(O)CNC(=O)C(C)C 240690a_100011218483_100000210198 [0,2,0,0,0,0|1,0,1]=4 3904 B10R0.82 CCC(O)CNC(=O)C(C)C 527a_100011218483_100000210198 [0,2,0,0,0,0|1,0,1]=4 3905 B10R0.82 COC(C)SCC(=O)C(=O)C 62a_100009879195_100011261029 [0,2,0,0,0,0|2,0,0]=4 3906 B10R0.82 COC(C)SCC(=O)C(=O)C 62a_100011261029_100009879195 [0,2,0,0,0,0|2,0,0]=4 3907 B10R0.82 COC(C)SCC(=O)C(C)C 62a_100000753385_100009879195 [0,2,0,0,0,0|1,0,1]=4 3908 B10R0.82 COC(C)SCC(=O)C(C)C 62a_100009879195_100000753385 [0,2,0,0,0,0|1,0,1]=4 3909 B10R0.82 COC(C)SCC(=O)N(C)C 62a_100000692301_100009879195 [0,2,0,0,0,0|2,0,0]=4 3910 B10R0.82 COC(C)SCC(=O)N(C)C 62a_100009879195_100000692301 [0,2,0,0,0,0|2,0,0]=4 3911 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 11a_100020591295_100000210198 [0,2,0,0,0,0|1,0,1]=4 3912 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 1626a_100020591295_100000210198 [0,2,0,0,0,0|1,0,1]=4 3913 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 240690a_100020591295_100000210198 [0,2,0,0,0,0|1,0,1]=4 3914 B10R0.82 CO[C@H](C)CNC(=O)C(C)C 527a_100020591295_100000210198 [0,2,0,0,0,0|1,0,1]=4 3915 B10R0.82 CO[C@H](C)CNC(=O)N(C)C 2708a_100020591295_100102631434 [0,2,0,0,0,0|2,0,0]=4 3916 B10R0.82 C[C@H](CO)NCC(=O)N(C)C 2230a_100000737577_100000185267 [0,2,0,0,0,0|2,0,0]=4 3917 B10R0.82 C[C@H](CO)SCC(=O)N(C)C 62a_100000692301_100016084084 [0,2,0,0,0,0|2,0,0]=4 3918 B10R0.82 C[C@H](CO)SCC(=O)N(C)C 62a_100016084084_100000692301 [0,2,0,0,0,0|2,0,0]=4 3919 B10R0.12 CC(=CCC(=O)C(C)(C)C)C 1458a_106744555173_100000761012 [0,2,0,0,0,0|1,0,1]=4 3920 B10R0.12 CC(=CCC(=O)C(C)(C)F)C 1458a_100000765255_100000761012 [0,2,0,0,0,0|1,0,1]=4 3921 B10R0.12 CC(=CCC(=O)C(C)(C)O)C 1458a_100000242741_100000761012 [0,2,0,0,0,0|0,0,1]=3 3922 B10R0.12 CC(=CCN(C)C(C)(C)C)C 269982a_100011215553_100000761012 [0,2,0,0,0,0|2,0,0]=4 3923 B10R0.12 CC(=O)NC[C@@H](F)C(C)(C)O 1626a_100015379105_100015343762 [0,2,0,0,0,0|2,0,0]=4 3924 B10R0.12 CC(=O)NC[C@@H](F)C(C)(C)O 527a_100015379105_100103153847 [0,2,0,0,0,0|2,0,0]=4 3925 B10R0.12 CC(C)CCC(=O)C(C)(C)C 1458a_106744555173_100000210312 [0,2,0,0,0,0|1,0,1]=4 3926 B10R0.12 CC(C)CCC(=O)C(C)(C)F 1458a_100000765255_100000210312 [0,2,0,0,0,0|1,0,1]=4 3927 B10R0.12 CC(C)CCC(=O)C(C)(C)O 1458a_100000242741_100000210312 [0,2,0,0,0,0|1,0,1]=4 3928 B10R0.12 CC(O)CCC(=O)C(C)(C)C 1458a_106744555173_100012276601 [0,2,0,0,0,0|0,0,1]=3 3929 B10R0.12 CC(O)CCC(=O)C(C)(C)F 1458a_100000765255_100012276601 [0,2,0,0,0,0|0,0,1]=3 3930 B10R0.12 CC(O)CCC(=O)C(C)(C)O 1458a_100000242741_100012276601 [0,2,0,0,0,0|0,0,1]=3 3931 B10R0.12 CC(O)CCN(C)C(C)(C)C 269982a_100011215553_100012276601 [0,2,0,0,0,0|1,0,1]=4 3932 B10R0.12 CC(O)CNC(=O)C(C)(C)C 11a_100000210904_106744555173 [0,2,0,0,0,0|1,0,1]=4 3933 B10R0.12 CC(O)CNC(=O)C(C)(C)C 240690a_100000210904_106744555173 [0,2,0,0,0,0|1,0,1]=4 3934 B10R0.12 CC(O)CNC(=O)C(C)(C)C 527a_100000210904_106744555173 [0,2,0,0,0,0|1,0,1]=4 3935 B10R0.12 CC(O)CNC(=O)C(C)(C)F 11a_100000210904_100000765255 [0,2,0,0,0,0|1,0,1]=4 3936 B10R0.12 CC(O)CNC(=O)C(C)(C)F 240690a_100000210904_100000765255 [0,2,0,0,0,0|1,0,1]=4 3937 B10R0.12 CC(O)CNC(=O)C(C)(C)F 527a_100000210904_100000765255 [0,2,0,0,0,0|1,0,1]=4 3938 B10R0.12 CC(O)CNC(=O)C(C)(C)O 240690a_100000210904_100000242741 [0,2,0,0,0,0|1,0,1]=4 3939 B10R0.13 C=C(C)C(=O)C(C)CC(C)C 1458a_100000185857_100000731052 [0,2,0,0,0,0|1,0,1]=4 3940 B10R0.13 CC(C)CC(C)C(=O)C(C)C 1458a_100000210198_100000731052 [0,2,0,0,0,0|1,0,1]=4 3941 B10R0.13 CC(C)C[C@H](O)C(=O)C(C)C 1458a_100012027011_100000210206 [0,2,0,0,0,0|1,0,1]=4 3942 B10R0.13 CC(C)C[C@H](O)C(=O)N(C)C 1626a_100102631434_100012027011 [0,2,0,0,0,0|2,0,0]=4 3943 B10R0.13 CC(C)C[C@H](O)C(=O)N(C)C 240690a_100102631434_100012027011 [0,2,0,0,0,0|2,0,0]=4 3944 B10R0.13 CC(O)CC(=O)C(=O)N(C)C 1458a_100011218876_100011218427 [0,2,0,0,0,0|1,0,1]=4 3945 B10R0.13 CC(O)CN(C)C(=O)C(C)C 240690a_100000227577_100000210198 [0,2,0,0,0,0|1,0,1]=4 3946 B10R0.13 CC(O)CN(C)C(=O)C(C)C 527a_100000227577_100000210198 [0,2,0,0,0,0|1,0,1]=4 3947 B10R0.84 CC(=CCC(N[13CH3])C(=O)O)C 269956a_100102631519_200025704644 [0,2,0,0,0,0|1,0,1]=4 3948 B10R0.84 CCN(CC=C(C)C)C(C)C 2230a_100000223864_100000761012 [0,2,0,0,0,0|2,0,0]=4 3949 B10R0.84 CCN(CC=C(C)C)C(C)C 269982a_100000223864_100000761012 [0,2,0,0,0,0|2,0,0]=4 3950 B10R0.84 CCN(CCC(C)O)C(C)C 2230a_100000223864_100012276601 [0,2,0,0,0,0|1,0,1]=4 3951 B10R0.84 CCN(CCC(C)O)C(C)C 269982a_100000223864_100012276601 [0,2,0,0,0,0|1,0,1]=4 3952 B10R0.84 CNC(CC=C(C)C)C(=O)O 269956a_100102631519_200000210301 [0,2,0,0,0,0|1,0,1]=4 3953 B10R0.92 C=C(C)C(=O)CCC(C)(C)C 1458a_100000185857_100000755188 [0,2,0,0,0,0|1,0,1]=4 3954 B10R0.92 C=C(C)C(=O)NCC(C)(C)O 1626a_100000751335_100000185857 [0,2,0,0,0,0|1,0,1]=4 3955 B10R0.92 CC(C)C(=O)CCC(C)(C)C 1458a_100000210198_100000755188 [0,2,0,0,0,0|1,0,1]=4 3956 B10R0.92 CC(C)C(=O)CCC(C)(C)C 1458a_100000757465_100000210206 [0,2,0,0,0,0|1,0,1]=4 3957 B10R0.92 CC(C)C(=O)CCC(C)(F)F 1458a_100000030992_100000210206 [0,2,0,0,0,0|1,0,1]=4 3958 B10R0.92 CC(C)C(=O)NCC(C)(C)O 1626a_100000751335_100000210198 [0,2,0,0,0,0|1,0,1]=4 3959 B10R0.92 CC(C)C(=O)NCC(C)(C)O 240690a_100000751335_100000210198 [0,2,0,0,0,0|1,0,1]=4 3960 B10R0.92 CC(C)C(=O)NCC(C)(C)O 527a_100000751335_100000210198 [0,2,0,0,0,0|1,0,1]=4 3961 B10R0.92 CN(C)C(=O)CCC(C)(C)C 11a_100102631434_100000757465 [0,2,0,0,0,0|2,0,0]=4 3962 B10R0.92 CN(C)C(=O)CCC(C)(C)C 1626a_100102631434_100000757465 [0,2,0,0,0,0|2,0,0]=4 3963 B10R0.92 CN(C)C(=O)CCC(C)(C)C 240690a_100102631434_100000757465 [0,2,0,0,0,0|2,0,0]=4 3964 B10R0.92 CN(C)C(=O)CCC(C)(C)C 527a_100102631434_100000757465 [0,2,0,0,0,0|2,0,0]=4 3965 B10R0.92 CN(C)C(=O)CCC(C)(F)F 11a_100102631434_100000030992 [0,2,0,0,0,0|2,0,0]=4 3966 B10R0.92 CN(C)C(=O)CCC(C)(F)F 1626a_100102631434_100000030992 [0,2,0,0,0,0|2,0,0]=4 3967 B10R0.92 CN(C)C(=O)CCC(C)(F)F 240690a_100102631434_100000030992 [0,2,0,0,0,0|2,0,0]=4 3968 B10R0.92 CN(C)C(=O)CCC(C)(F)F 527a_100102631434_100000030992 [0,2,0,0,0,0|2,0,0]=4 3969 B10R0.93 CC(=O)C(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100011261029 [0,2,0,0,0,0|1,0,1]=4 3970 B10R0.93 CC(=O)C(=O)CC(=O)[C@H](C)O 1458a_217856618621_100011261029 [0,2,0,0,0,0|1,0,1]=4 3971 B10R0.93 CC(C)C(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000753385 [0,2,0,0,0,0|0,0,2]=4 3972 B10R0.93 CC(C)C(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000753385 [0,2,0,0,0,0|0,0,2]=4 3973 B10R0.93 C[C@@H](O)C(=O)CC(=O)N(C)C 1458a_100000717761_100000185267 [0,2,0,0,0,0|1,0,1]=4 3974 B10R0.93 C[C@H](O)C(=O)CC(=O)N(C)C 1458a_217856618621_100000185267 [0,2,0,0,0,0|1,0,1]=4 3975 B10R0.31 CC(=CC(C)OC(C)(C)C)C 34a_100000717055_100000210625 [0,2,0,0,0,0|2,0,0]=4 3976 B10R0.113 CC(C)(O)CCNC(C)(C)C 2230a_100000715429_100000702414 [0,2,0,0,0,0|1,0,1]=4 3977 B10R0.113 CC(C)(O)CCOC(C)(C)C 34a_100015890283_100000702414 [0,2,0,0,0,0|1,0,1]=4 3978 B10R0.113 CC(C)(O)CCOC(C)(C)C 7a_100015890283_100000702414 [0,2,0,0,0,0|1,0,1]=4 3979 B10R0.113 CC(C)(O)CCSC(C)(C)C 62a_100000211941_100000702414 [0,2,0,0,0,0|1,0,1]=4 3980 B10R0.113 CC(C)(O)CCSC(C)(C)C 62a_100000702414_100000211941 [0,2,0,0,0,0|1,0,1]=4 3981 B8R1.1 CCN1CCC(C1)O 2230a_100011215560_100000210202 [1,0,0,1,0,0|1,0,1]=4 3982 B8R1.1 CCN1CCC(C1)O 269982a_100011215560_100000204670 [1,0,0,1,0,0|1,0,1]=4 3983 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [1,0,0,1,0,0|1,0,1]=4 3984 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [1,0,0,1,0,0|1,0,1]=4 3985 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [1,0,0,1,0,0|1,0,1]=4 3986 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [1,0,0,1,0,0|1,0,1]=4 3987 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [1,0,0,1,0,0|1,0,1]=4 3988 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [1,0,0,1,0,0|1,0,1]=4 3989 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [1,0,0,1,0,0|1,0,1]=4 3990 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [1,0,0,1,0,0|1,0,1]=4 3991 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [1,0,0,1,0,0|1,0,1]=4 3992 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [1,0,0,1,0,0|1,0,0]=3 3993 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [1,0,0,1,0,0|1,0,0]=3 3994 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [1,0,0,1,0,0|1,0,0]=3 3995 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [1,0,0,1,0,0|1,0,0]=3 3996 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [1,0,0,1,0,0|1,0,0]=3 3997 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [1,0,0,1,0,0|1,0,0]=3 3998 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [1,0,0,1,0,0|1,0,1]=4 3999 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [1,0,0,1,0,0|1,0,1]=4 4000 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [1,0,0,1,0,0|1,0,1]=4 4001 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [1,0,0,1,0,0|1,0,1]=4 4002 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [1,0,0,1,0,0|1,0,1]=4 4003 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [1,0,0,1,0,0|1,0,1]=4 4004 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [1,0,0,1,0,0|1,0,1]=4 4005 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [1,0,0,1,0,0|1,0,1]=4 4006 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [1,0,0,1,0,0|1,0,1]=4 4007 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [1,0,0,1,0,0|1,0,1]=4 4008 B8R1.6 CCN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210202 [1,0,0,1,0,0|1,0,1]=4 4009 B8R1.6 CNCC1CC(C1)O 2230a_100016992100_200000210301 [1,0,0,1,0,0|1,0,1]=4 4010 B8R1.6 [13CH3]NCC1CC(C1)O 2230a_100016992100_200025704644 [1,0,0,1,0,0|1,0,1]=4 4011 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|1,0,1]=4 4012 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [1,0,0,1,0,0|0,0,2]=4 4013 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|1,0,1]=4 4014 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|1,0,1]=4 4015 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|2,0,0]=4 4016 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|2,0,0]=4 4017 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|1,0,1]=4 4018 B8R1.7 CC(C)N1CC=CC1 269982a_100015195280_100000210206 [1,0,0,1,0,0|2,0,0]=4 4019 B8R1.7 CC(C)N1CCCC1 2230a_100000188435_100000210206 [1,0,0,1,0,0|1,0,1]=4 4020 B8R1.7 CC(C)N1CCCC1 269982a_100000188435_100000210206 [1,0,0,1,0,0|1,0,1]=4 4021 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [1,0,0,1,0,0|1,0,1]=4 4022 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [1,0,0,1,0,0|1,0,1]=4 4023 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [1,0,0,1,0,0|1,0,1]=4 4024 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [1,0,0,1,0,0|1,0,1]=4 4025 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [1,0,0,1,0,0|1,0,1]=4 4026 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [1,0,0,1,0,0|1,0,1]=4 4027 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [1,0,0,1,0,0|1,0,1]=4 4028 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [1,0,0,1,0,0|1,0,1]=4 4029 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [1,0,0,1,0,0|1,0,1]=4 4030 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|1,0,1]=4 4031 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [1,0,0,1,0,0|0,0,2]=4 4032 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|1,0,1]=4 4033 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|1,0,1]=4 4034 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 4035 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 4036 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [1,0,0,1,0,0|1,0,1]=4 4037 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 4038 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 4039 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [1,0,0,1,0,0|1,0,1]=4 4040 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 4041 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|2,0,0]=4 4042 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|2,0,0]=4 4043 B8R1.31 CC(C)N1CCC1C 269982a_100000755817_100000210206 [1,0,0,1,0,0|1,0,1]=4 4044 B8R1.31 CC(C)N1CCC1C 34a_100000755817_100000210206 [1,0,0,1,0,0|1,0,1]=4 4045 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [1,0,0,1,0,0|1,0,1]=4 4046 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|1,0,1]=4 4047 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|1,0,1]=4 4048 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|1,0,1]=4 4049 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 4050 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 4051 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|2,0,0]=4 4052 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|2,0,0]=4 4053 B8R1.34 CC(C)NC1CCC1 2230a_100000749019_100000210206 [1,0,0,1,0,0|1,0,1]=4 4054 B8R1.34 CC(C)NC1CCC1 34a_100000749019_100000210206 [1,0,0,1,0,0|1,0,1]=4 4055 B8R1.34 CC(C)NC1CCC1 34a_100138425928_100000749161 [1,0,0,1,0,0|1,0,1]=4 4056 B8R1.34 CC(C)OC1CCC1 34a_100000212225_100000749161 [1,0,0,1,0,0|1,0,1]=4 4057 B8R1.34 CC(C)OC1CCC1 34a_100000748187_100000210206 [1,0,0,1,0,0|1,0,1]=4 4058 B8R1.34 CC(C)SC1CCC1 62a_100000210206_100000749161 [1,0,0,1,0,0|1,0,1]=4 4059 B8R1.34 CN(C)CC1CCC1 2230a_100102631434_100000763275 [1,0,0,1,0,0|1,0,1]=4 4060 B8R1.34 CN(C)CC1CCC1 2230a_200000750244_200000210301 [1,0,0,1,0,0|1,0,1]=4 4061 B8R1.34 CN(C)CC1CCC1 269982a_100102631434_100000763275 [1,0,0,1,0,0|1,0,1]=4 4062 B8R1.34 CN(C)CC1CCC1 269982a_200000750244_200000210301 [1,0,0,1,0,0|1,0,1]=4 4063 B8R1.34 CN(C)CC1CCC1 34a_200000750244_200000210301 [1,0,0,1,0,0|1,0,1]=4 4064 B8R1.34 CN(C)CC1CCO1 2230a_100102631434_100000103362 [1,0,0,1,0,0|1,0,1]=4 4065 B8R1.34 CN(C)CC1CCO1 269982a_100102631434_100000103362 [1,0,0,1,0,0|1,0,1]=4 4066 B8R1.34 CN([13CH3])CC1CCC1 2230a_200000750244_200025704644 [1,0,0,1,0,0|1,0,1]=4 4067 B8R1.34 CN([13CH3])CC1CCC1 269982a_200000750244_200025704644 [1,0,0,1,0,0|1,0,1]=4 4068 B8R1.34 CN([13CH3])CC1CCC1 34a_200000750244_200025704644 [1,0,0,1,0,0|1,0,1]=4 4069 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [1,0,0,1,0,0|1,0,1]=4 4070 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|1,0,1]=4 4071 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [1,0,0,1,0,0|1,0,1]=4 4072 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|1,0,1]=4 4073 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|1,0,1]=4 4074 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|1,0,1]=4 4075 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 4076 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 4077 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|2,0,0]=4 4078 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|2,0,0]=4 4079 B8R1.35 CC(C)NCC1CC1 2230a_100000735609_100000210206 [1,0,0,1,0,0|1,0,1]=4 4080 B8R1.35 CC(C)NCC1CC1 2230a_100138425928_100000742324 [1,0,0,1,0,0|1,0,1]=4 4081 B8R1.35 CC(C)NCC1CC1 34a_100000735609_100000210206 [1,0,0,1,0,0|1,0,1]=4 4082 B8R1.35 CC(C)NCC1CC1 34a_100138425928_100000742324 [1,0,0,1,0,0|1,0,1]=4 4083 B8R1.35 CC(C)NCC1CO1 2230a_100138425928_100011216344 [1,0,0,1,0,0|1,0,1]=4 4084 B8R1.35 CC(C)NCC1CO1 34a_100138425928_102125554688 [1,0,0,1,0,0|1,0,1]=4 4085 B8R1.35 CC(C)OCC1CC1 34a_100000211283_100000210206 [1,0,0,1,0,0|1,0,1]=4 4086 B8R1.35 CC(C)OCC1CC1 34a_100000212225_100000742324 [1,0,0,1,0,0|1,0,1]=4 4087 B8R1.35 CC(C)OCC1CO1 34a_100000212225_102125554688 [1,0,0,1,0,0|1,0,1]=4 4088 B8R1.35 CC(C)OC[C@@H]1CO1 34a_100000757423_100000210206 [1,0,0,1,0,0|1,0,1]=4 4089 B8R1.35 CC(C)SCC1CC1 62a_100000210206_100000742324 [1,0,0,1,0,0|1,0,1]=4 4090 B8R1.35 CC(C)SCC1CC1 62a_100000756562_100000210206 [1,0,0,1,0,0|1,0,1]=4 4091 B8R1.35 CC(C)SCC1CO1 62a_100000210206_102125554688 [1,0,0,1,0,0|1,0,1]=4 4092 B8R1.35 CC(C)SCC1CO1 62a_102125554688_100000210206 [1,0,0,1,0,0|1,0,1]=4 4093 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000210206_100000745022 [1,0,0,1,0,0|1,0,1]=4 4094 B8R1.35 CC(C)SC[C@@H]1CO1 62a_100000745022_100000210206 [1,0,0,1,0,0|1,0,1]=4 4095 B8R1.35 CN(C)CCC1CC1 2230a_100102631434_100000694398 [1,0,0,1,0,0|1,0,1]=4 4096 B8R1.35 CN(C)CCC1CC1 269982a_100102631434_100000694398 [1,0,0,1,0,0|1,0,1]=4 4097 B8R1.35 CN(C)CCC1CO1 2230a_100102631434_100000732470 [1,0,0,1,0,0|1,0,1]=4 4098 B8R1.35 CN(C)CCC1CO1 269982a_100102631434_100000732470 [1,0,0,1,0,0|1,0,1]=4 4099 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [1,0,0,1,0,0|1,0,1]=4 4100 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|1,0,1]=4 4101 B8R1.36 C/C=C/CNC1CC1 34a_100000212008_100102629194 [1,0,0,1,0,0|2,0,0]=4 4102 B8R1.36 C/C=C/COC1CC1 34a_100016270725_100000211595 [1,0,0,1,0,0|2,0,0]=4 4103 B8R1.36 C/C=C/CSC1CC1 62a_100102629194_100000211595 [1,0,0,1,0,0|2,0,0]=4 4104 B8R1.36 CC=CCNC1CC1 34a_100000212008_100000070051 [1,0,0,1,0,0|2,0,0]=4 4105 B8R1.36 CC=CCSC1CC1 62a_100000070051_100000211595 [1,0,0,1,0,0|2,0,0]=4 4106 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [1,0,0,1,0,0|1,0,1]=4 4107 B8R1.36 CCCCOC1CC1 34a_100000210227_100000211595 [1,0,0,1,0,0|1,0,1]=4 4108 B8R1.36 CCCCSC1CC1 62a_100000210211_100000211595 [1,0,0,1,0,0|1,0,1]=4 4109 B8R1.36 CCNCCC1CO1 2230a_100015525214_100000732470 [1,0,0,1,0,0|1,0,1]=4 4110 B8R1.36 CCOCCC1CO1 34a_100121572206_100000732470 [1,0,0,1,0,0|1,0,1]=4 4111 B8R1.36 CCOCC[C@@H]1CO1 34a_100009820653_100000210202 [1,0,0,1,0,0|1,0,1]=4 4112 B8R1.36 CCSCCC1CO1 62a_100000210202_100000732470 [1,0,0,1,0,0|1,0,1]=4 4113 B8R1.36 CCSCCC1CO1 62a_100000732470_100000210202 [1,0,0,1,0,0|1,0,1]=4 4114 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [1,0,0,1,0,0|1,0,1]=4 4115 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [1,0,0,1,0,0|1,0,1]=4 4116 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [1,0,0,1,0,0|1,0,1]=4 4117 B8R1.36 COCCCC1CO1 34a_100138415774_100000733510 [1,0,0,1,0,0|1,0,1]=4 4118 B8R1.36 CSCCCC1CO1 62a_100000733510_200000210301 [1,0,0,1,0,0|1,0,1]=4 4119 B8R1.36 CSCCCC1CO1 62a_200000210301_100000733510 [1,0,0,1,0,0|1,0,1]=4 4120 B8R1.36 OCCCNC1CC1 34a_100000212008_100000230001 [1,0,0,1,0,0|1,0,1]=4 4121 B8R1.36 OCCCSC1CC1 62a_100011215043_100000211595 [1,0,0,1,0,0|1,0,1]=4 4122 B8R1.36 [13CH3]SCCCC1CO1 62a_100000733510_200025704644 [1,0,0,1,0,0|1,0,1]=4 4123 B8R1.36 [13CH3]SCCCC1CO1 62a_200025704644_100000733510 [1,0,0,1,0,0|1,0,1]=4 4124 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|1,0,1]=4 4125 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|1,0,1]=4 4126 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [0,0,0,1,1,0|2,0,0]=4 4127 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [0,0,0,1,1,0|2,0,0]=4 4128 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [0,0,0,1,1,0|2,0,0]=4 4129 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [0,0,0,1,1,0|2,0,0]=4 4130 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [0,0,0,1,1,0|2,0,0]=4 4131 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [0,0,0,1,1,0|2,0,0]=4 4132 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,0,0,1,1,0|2,0,0]=4 4133 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,0,0,1,1,0|2,0,0]=4 4134 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,0,0,1,1,0|2,0,0]=4 4135 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,0,0,1,1,0|2,0,0]=4 4136 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,0,0,1,1,0|2,0,0]=4 4137 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,0,0,1,1,0|2,0,0]=4 4138 B8R1.3 CN1CCC(CC1)F 2230a_100015193889_200000210301 [0,0,0,1,1,0|2,0,0]=4 4139 B8R1.3 CN1CCC(CC1)F 269982a_100015193889_200000210301 [0,0,0,1,1,0|2,0,0]=4 4140 B8R1.3 CN1CCC(CC1)F 34a_100015193889_200000210301 [0,0,0,1,1,0|2,0,0]=4 4141 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [0,0,0,1,1,0|1,0,0]=3 4142 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [0,0,0,1,1,0|1,0,0]=3 4143 B8R1.3 [13CH3]N1CCC(CC1)F 2230a_100015193889_200025704644 [0,0,0,1,1,0|2,0,0]=4 4144 B8R1.3 [13CH3]N1CCC(CC1)F 269982a_100015193889_200025704644 [0,0,0,1,1,0|2,0,0]=4 4145 B8R1.3 [13CH3]N1CCC(CC1)F 34a_100015193889_200025704644 [0,0,0,1,1,0|2,0,0]=4 4146 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [0,0,0,1,1,0|1,0,0]=3 4147 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [0,0,0,1,1,0|1,0,0]=3 4148 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,1,1,0|2,0,0]=4 4149 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,0,0,1,1,0|2,0,0]=4 4150 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,0,0,1,1,0|2,0,0]=4 4151 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,0,0,1,1,0|2,0,0]=4 4152 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,0,0,1,1,0|2,0,0]=4 4153 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,0,0,1,1,0|1,0,0]=3 4154 B8R1.23 CC(C)N1CC(C1)O 269982a_100000749847_100000210206 [0,0,0,1,1,0|1,0,1]=4 4155 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,1,1,0|2,0,0]=4 4156 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,0,0,1,1,0|2,0,0]=4 4157 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 4158 B8R1.51 CC1(CCN(C1)[13CH3])C 2230a_100000764714_200025704644 [0,0,0,1,1,0|2,0,0]=4 4159 B8R1.51 CC1(CCN(C1)[13CH3])C 269982a_100000764714_200025704644 [0,0,0,1,1,0|2,0,0]=4 4160 B8R1.51 CC1(CCN(C1)[13CH3])O 2230a_100000718628_200025704644 [0,0,0,1,1,0|1,0,0]=3 4161 B8R1.51 CC1(CCN(C1)[13CH3])O 269982a_100000718628_200025704644 [0,0,0,1,1,0|1,0,0]=3 4162 B8R1.51 CN1CCC(C1)(C)C 2230a_100000764714_200000210301 [0,0,0,1,1,0|2,0,0]=4 4163 B8R1.51 CN1CCC(C1)(C)C 269982a_100000764714_200000210301 [0,0,0,1,1,0|2,0,0]=4 4164 B8R1.51 CN1CCC(C1)(C)O 2230a_100000718628_200000210301 [0,0,0,1,1,0|1,0,0]=3 4165 B8R1.51 CN1CCC(C1)(C)O 269982a_100000718628_200000210301 [0,0,0,1,1,0|1,0,0]=3 4166 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,1,0|2,0,0]=4 4167 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,1,0|2,0,0]=4 4168 B10R1.54 C=C(C)CN1CCC(C1)O 2230a_100011215560_100000748629 [0,0,0,1,0,1|0,0,2]=4 4169 B10R1.54 C=C(C)CN1CCC(C1)O 269982a_100011215560_100000748629 [0,0,0,1,0,1|0,0,2]=4 4170 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100015343762 [0,0,0,1,0,1|1,0,1]=4 4171 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100015343762 [0,0,0,1,0,1|1,0,1]=4 4172 B10R1.54 CC(C)CN1CCC(C1)O 2230a_100011215560_100000210760 [0,0,0,1,0,1|0,0,2]=4 4173 B10R1.54 CC(C)CN1CCC(C1)O 269982a_100011215560_100000210624 [0,0,0,1,0,1|0,0,2]=4 4174 B10R1.54 CC(C)CN1CCC(C1)O 270004a_100011215560_100000210432 [0,0,0,1,0,1|0,0,2]=4 4175 B10R1.54 CC(C)N[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210206 [0,0,0,1,0,1|0,0,2]=4 4176 B10R1.54 CC(O)CN1CC[C@H](C1)C 2230a_100016987628_100011218427 [0,0,0,1,0,1|0,0,2]=4 4177 B10R1.54 CC(O)CN1CC[C@H](C1)C 269982a_100016987628_100011218427 [0,0,0,1,0,1|0,0,2]=4 4178 B10R1.54 CC(O)CN1CC[C@H](C1)C 34a_100016987628_100011218427 [0,0,0,1,0,1|0,0,2]=4 4179 B10R1.54 CC(O)CN1CNC(=O)C1 2230a_200000708111_100011218427 [0,0,0,1,0,1|2,0,0]=4 4180 B10R1.54 C[C@@H](O)CN1CNC(=O)C1 2230a_200000708111_100009817552 [0,0,0,1,0,1|2,0,0]=4 4181 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 2230a_100016987628_100009817552 [0,0,0,1,0,1|0,0,2]=4 4182 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 269982a_100016987628_100009817552 [0,0,0,1,0,1|0,0,2]=4 4183 B10R1.54 C[C@@H]1CCN(C1)C[C@@H](C)O 34a_100016987628_100009817552 [0,0,0,1,0,1|0,0,2]=4 4184 B10R1.73 CC(=CCN[C@@H]1C[C@@H]1F)C 2230a_100015190264_100000761012 [0,0,0,1,0,1|1,0,0]=3 4185 B10R1.73 CC(=CCN[C@@H]1C[C@H]1F)C 2230a_100025746932_100000761012 [0,0,0,1,0,1|1,0,0]=3 4186 B10R1.73 CC(=CCN[C@@H]1C[C@H]1F)C 34a_100025746932_100000761012 [0,0,0,1,0,1|1,0,0]=3 4187 B10R1.73 CC(O)COCC1CC1C 34a_100000744939_100011218427 [0,0,0,1,0,1|0,0,2]=4 4188 B10R1.73 CC(O)COCC1CC1C 7a_100000744939_100011218427 [0,0,0,1,0,1|0,0,2]=4 4189 B10R1.73 CC1CC1COC[C@@H](C)O 34a_100000744939_100009817552 [0,0,0,1,0,1|0,0,2]=4 4190 B10R1.73 CC1CC1COC[C@@H](C)O 7a_100000744939_100009817552 [0,0,0,1,0,1|0,0,2]=4 4191 B10R1.82 C=C(C)CCN1CC(C1)O 269982a_100000749847_100000730704 [0,0,0,1,0,1|0,0,2]=4 4192 B10R1.82 C=C(C)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000748629 [0,0,0,1,0,1|0,0,2]=4 4193 B10R1.82 C=C1CC(C1)NCC(C)O 2230a_100132301982_100011218427 [0,0,0,1,0,1|0,0,2]=4 4194 B10R1.82 C=C1CC(C1)NC[C@@H](C)O 2230a_100132301982_100009817552 [0,0,0,1,0,1|0,0,2]=4 4195 B10R1.82 CC(=CCN1CC(C1)C)C 2230a_100000702820_100000761012 [0,0,0,1,0,1|1,0,0]=3 4196 B10R1.82 CC(=CCN1CC(C1)C)C 269982a_100000702820_100000761012 [0,0,0,1,0,1|1,0,0]=3 4197 B10R1.82 CC(=CCN1CC(C1)C)C 34a_100000702820_100000761012 [0,0,0,1,0,1|1,0,0]=3 4198 B10R1.82 CC(=CCN1CC(C1)F)C 2230a_100000690557_100000761012 [0,0,0,1,0,1|1,0,0]=3 4199 B10R1.82 CC(=CCN1CC(C1)F)C 269982a_100000690557_100000761012 [0,0,0,1,0,1|1,0,0]=3 4200 B10R1.82 CC(=CCN1CC(C1)F)C 34a_100000690557_100000761012 [0,0,0,1,0,1|1,0,0]=3 4201 B10R1.82 CC(=CCN1CC(C1)O)C 269982a_100000749847_100000761012 [0,0,0,1,0,1|0,0,0]=2 4202 B10R1.82 CC(=O)CCN1CC(C1)O 269982a_100000749847_100000053229 [0,0,0,1,0,1|1,0,1]=4 4203 B10R1.82 CC(=O)NCC1CC(C1)O 11a_100016992100_100015343762 [0,0,0,1,0,1|1,0,1]=4 4204 B10R1.82 CC(=O)NCC1CC(C1)O 240690a_100016992100_100015343762 [0,0,0,1,0,1|1,0,1]=4 4205 B10R1.82 CC(=O)OCN1CC(C1)O 269982a_100000749847_100000076356 [0,0,0,1,0,1|2,0,0]=4 4206 B10R1.82 CC(C)CCN1CC(C1)O 269982a_100000749847_100000210312 [0,0,0,1,0,1|0,0,2]=4 4207 B10R1.82 CC(C)CN[C@H]1C[C@@H](C1)O 2230a_100020629032_100000210760 [0,0,0,1,0,1|0,0,2]=4 4208 B10R1.82 CC(C)CN[C@H]1C[C@@H](C1)O 270004a_100020629032_100000210432 [0,0,0,1,0,1|0,0,2]=4 4209 B10R1.82 CC(C)NCC1CC(C1)O 2230a_100016992100_100000210206 [0,0,0,1,0,1|0,0,2]=4 4210 B10R1.82 CC(C)OCN1CC(C1)O 269982a_100000749847_100000709892 [0,0,0,1,0,1|1,0,1]=4 4211 B10R1.82 CC(O)CCN1CC(C1)C 2230a_100000702820_100012276601 [0,0,0,1,0,1|0,0,2]=4 4212 B10R1.82 CC(O)CCN1CC(C1)C 269982a_100000702820_100012276601 [0,0,0,1,0,1|0,0,2]=4 4213 B10R1.82 CC(O)CCN1CC(C1)C 34a_100000702820_100012276601 [0,0,0,1,0,1|0,0,2]=4 4214 B10R1.82 CC(O)CSC1CC(=O)C1 62a_100009894365_100011218427 [0,0,0,1,0,1|1,0,1]=4 4215 B10R1.82 CN(C)CCN1CC(C1)O 269982a_100000749847_100000755713 [0,0,0,1,0,1|1,0,1]=4 4216 B10R1.82 C[C@@H](O)CSC1CC(=O)C1 62a_100009894365_100009817552 [0,0,0,1,0,1|1,0,1]=4 4217 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,0,0,1,0,1|1,0,1]=4 4218 B10R1.113 CC(=O)N1CCC=C(C1)C 11a_100000725631_100015343762 [0,0,0,1,0,1|0,0,2]=4 4219 B10R1.113 CC(=O)N1CCC=C(C1)C 1626a_100000725631_100015343762 [0,0,0,1,0,1|0,0,2]=4 4220 B10R1.113 CC(=O)N1CCC=C(C1)C 240690a_100000725631_100015343762 [0,0,0,1,0,1|0,0,2]=4 4221 B10R1.113 CC(=O)N1CCC=C(C1)C 527a_100000725631_100103153847 [0,0,0,1,0,1|0,0,2]=4 4222 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,0,0,1,0,1|1,0,1]=4 4223 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,0,0,1,0,1|1,0,1]=4 4224 B10R1.113 CC(=O)N1CCOC(C1)O 11a_100000688207_100015343762 [0,0,0,1,0,1|2,0,0]=4 4225 B10R1.113 CC(=O)N1CCOC(C1)O 240690a_100000688207_100015343762 [0,0,0,1,0,1|2,0,0]=4 4226 B10R1.113 CC(=O)N1CCOC(C1)O 527a_100000688207_100103153847 [0,0,0,1,0,1|2,0,0]=4 4227 B10R1.113 CC(C)N1CCCC(C1)O 2230a_100000211013_100000210206 [0,0,0,1,0,1|0,0,2]=4 4228 B10R1.113 CC(C)N1CCCC(C1)O 269982a_100000211013_100000210206 [0,0,0,1,0,1|0,0,2]=4 4229 B10R1.113 CC(C)N1CCOC(C1)O 2230a_100000688207_100000210206 [0,0,0,1,0,1|1,0,1]=4 4230 B10R1.113 CC(C)N1CCOC(C1)O 269982a_100000688207_100000210206 [0,0,0,1,0,1|1,0,1]=4 4231 B10R1.113 CC(O)C1CCCN(C1)C 2230a_100000740858_200000210301 [0,0,0,1,0,1|1,0,1]=4 4232 B10R1.113 CC(O)C1CCCN(C1)C 269982a_100000740858_200000210301 [0,0,0,1,0,1|1,0,1]=4 4233 B10R1.113 CC(O)C1CCCN(C1)C 34a_100000740858_200000210301 [0,0,0,1,0,1|1,0,1]=4 4234 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 2230a_100000740858_200025704644 [0,0,0,1,0,1|1,0,1]=4 4235 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 269982a_100000740858_200025704644 [0,0,0,1,0,1|1,0,1]=4 4236 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 34a_100000740858_200025704644 [0,0,0,1,0,1|1,0,1]=4 4237 B10R1.113 CC1=CCCN(C1)C(C)C 2230a_100000725631_100000210206 [0,0,0,1,0,1|1,0,0]=3 4238 B10R1.113 CC1=CCCN(C1)C(C)C 269982a_100000725631_100000210206 [0,0,0,1,0,1|1,0,0]=3 4239 B10R1.113 CC1=CCCN(C1)C(C)C 34a_100000725631_100000210206 [0,0,0,1,0,1|1,0,0]=3 4240 B10R1.113 CN(C)C1CCCC(C1)O 270004a_100102631434_100012613340 [0,0,0,1,0,1|1,0,1]=4 4241 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,0,0,1,0,1|1,0,1]=4 4242 B10R1.126 C=C(C)CCOCC1CO1 34a_100000764851_102125554688 [0,0,0,1,0,1|0,0,2]=4 4243 B10R1.126 C=C(C)CCOC[C@@H]1CO1 34a_100000757423_100000730704 [0,0,0,1,0,1|0,0,2]=4 4244 B10R1.126 C=C(C)CCSCC1CO1 62a_100000730704_102125554688 [0,0,0,1,0,1|0,0,2]=4 4245 B10R1.126 C=C(C)CCSCC1CO1 62a_102125554688_100000730704 [0,0,0,1,0,1|0,0,2]=4 4246 B10R1.126 C=C(C)CCSC[C@@H]1CO1 62a_100000730704_100000745022 [0,0,0,1,0,1|0,0,2]=4 4247 B10R1.126 C=C(C)CCSC[C@@H]1CO1 62a_100000745022_100000730704 [0,0,0,1,0,1|0,0,2]=4 4248 B10R1.126 C=C(C)COCCC1CO1 34a_100000210245_100000732470 [0,0,0,1,0,1|0,0,2]=4 4249 B10R1.126 C=C(C)COCC[C@@H]1CO1 34a_100009820653_100000748629 [0,0,0,1,0,1|0,0,2]=4 4250 B10R1.126 C=C(C)CSCCC1CO1 62a_100000732470_100000211660 [0,0,0,1,0,1|0,0,2]=4 4251 B10R1.126 C=C(C)CSCCC1CO1 62a_100000748629_100000732470 [0,0,0,1,0,1|0,0,2]=4 4252 B10R1.126 CC(=CCCNC1CC1)C 34a_100000212008_100011217483 [0,0,0,1,0,1|1,0,0]=3 4253 B10R1.126 CC(=CCCSC1CC1)C 62a_100011217483_100000211595 [0,0,0,1,0,1|1,0,0]=3 4254 B10R1.126 CC(=CCNCC1CC1)C 2230a_100000735609_100000761012 [0,0,0,1,0,1|1,0,0]=3 4255 B10R1.126 CC(=CCNCC1CC1)C 34a_100000718196_100000742324 [0,0,0,1,0,1|1,0,0]=3 4256 B10R1.126 CC(=CCNCC1CC1)C 34a_100000735609_100000761012 [0,0,0,1,0,1|1,0,0]=3 4257 B10R1.126 CC(=CCNCC1CO1)C 34a_100000718196_102125554688 [0,0,0,1,0,1|0,0,0]=2 4258 B10R1.126 CC(=CCOCC1CC1)C 34a_100000211283_100000761012 [0,0,0,1,0,1|1,0,0]=3 4259 B10R1.126 CC(=CCOCC1CC1)C 34a_100000753907_100000742324 [0,0,0,1,0,1|1,0,0]=3 4260 B10R1.126 CC(=CCOCC1CO1)C 34a_100000753907_102125554688 [0,0,0,1,0,1|0,0,0]=2 4261 B10R1.126 CC(=CCOC[C@@H]1CO1)C 34a_100000757423_100000761012 [0,0,0,1,0,1|0,0,0]=2 4262 B10R1.126 CC(=CCSCC1CC1)C 62a_100000756562_100000761012 [0,0,0,1,0,1|1,0,0]=3 4263 B10R1.126 CC(=CCSCC1CC1)C 62a_100000761012_100000742324 [0,0,0,1,0,1|1,0,0]=3 4264 B10R1.126 CC(=CCSCC1CO1)C 62a_100000761012_102125554688 [0,0,0,1,0,1|0,0,0]=2 4265 B10R1.126 CC(=CCSCC1CO1)C 62a_102125554688_100000761012 [0,0,0,1,0,1|0,0,0]=2 4266 B10R1.126 CC(=CCSCC1CS1)C 62a_100000031435_100000761012 [0,0,0,1,0,1|0,1,0]=3 4267 B10R1.126 CC(=CCSCC1CS1)C 62a_100000761012_100000031435 [0,0,0,1,0,1|0,1,0]=3 4268 B10R1.126 CC(=CCSC[C@@H]1CO1)C 62a_100000745022_100000761012 [0,0,0,1,0,1|0,0,0]=2 4269 B10R1.126 CC(=CCSC[C@@H]1CO1)C 62a_100000761012_100000745022 [0,0,0,1,0,1|0,0,0]=2 4270 B10R1.126 CC(=O)CCOCC1CO1 34a_100000759926_102125554688 [0,0,0,1,0,1|1,0,1]=4 4271 B10R1.126 CC(=O)CCOCC1CO1 7a_100000759926_102125554688 [0,0,0,1,0,1|1,0,1]=4 4272 B10R1.126 CC(=O)CCOC[C@@H]1CO1 7a_100000759926_100000745022 [0,0,0,1,0,1|1,0,1]=4 4273 B10R1.126 CC(=O)CCSCC1CO1 62a_100000053229_102125554688 [0,0,0,1,0,1|1,0,1]=4 4274 B10R1.126 CC(=O)CCSCC1CO1 62a_102125554688_100000053229 [0,0,0,1,0,1|1,0,1]=4 4275 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000053229_100000745022 [0,0,0,1,0,1|1,0,1]=4 4276 B10R1.126 CC(=O)CCSC[C@@H]1CO1 62a_100000745022_100000053229 [0,0,0,1,0,1|1,0,1]=4 4277 B10R1.126 CC(=O)COCCC1CO1 34a_100000211253_100000732470 [0,0,0,1,0,1|1,0,1]=4 4278 B10R1.126 CC(=O)OCOC[C@@H]1CO1 34a_100000757423_100009813279 [0,0,0,1,0,1|2,0,0]=4 4279 B10R1.126 CC(=O)OCSCC1CO1 62a_100000076356_102125554688 [0,0,0,1,0,1|2,0,0]=4 4280 B10R1.126 CC(=O)OCSCC1CO1 62a_102125554688_100000076356 [0,0,0,1,0,1|2,0,0]=4 4281 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000076356_100000745022 [0,0,0,1,0,1|2,0,0]=4 4282 B10R1.126 CC(=O)OCSC[C@@H]1CO1 62a_100000745022_100000076356 [0,0,0,1,0,1|2,0,0]=4 4283 B10R1.126 CC(C)CCOCC1CO1 34a_100000210254_102125554688 [0,0,0,1,0,1|0,0,2]=4 4284 B10R1.126 CC(C)CCOCC1CO1 7a_100000210254_102125554688 [0,0,0,1,0,1|0,0,2]=4 4285 B10R1.126 CC(C)CCOC[C@@H]1CO1 34a_100000757423_100000210312 [0,0,0,1,0,1|0,0,2]=4 4286 B10R1.126 CC(C)CCOC[C@@H]1CO1 7a_100000210254_100000745022 [0,0,0,1,0,1|0,0,2]=4 4287 B10R1.126 CC(C)CCSCC1CO1 62a_100000210312_102125554688 [0,0,0,1,0,1|0,0,2]=4 4288 B10R1.126 CC(C)CCSCC1CO1 62a_102125554688_100000210312 [0,0,0,1,0,1|0,0,2]=4 4289 B10R1.126 CC(C)CCSC[C@@H]1CO1 62a_100000210312_100000745022 [0,0,0,1,0,1|0,0,2]=4 4290 B10R1.126 CC(C)CCSC[C@@H]1CO1 62a_100000745022_100000210312 [0,0,0,1,0,1|0,0,2]=4 4291 B10R1.126 CC(C)CNCCC1CO1 2230a_100000210953_100000732470 [0,0,0,1,0,1|0,0,2]=4 4292 B10R1.126 CC(C)CNCCC1CO1 34a_100000210953_100000732470 [0,0,0,1,0,1|0,0,2]=4 4293 B10R1.126 CC(C)COCCC1CO1 34a_100000210257_100000732470 [0,0,0,1,0,1|0,0,2]=4 4294 B10R1.126 CC(C)COCC[C@@H]1CO1 34a_100009820653_100000210624 [0,0,0,1,0,1|0,0,2]=4 4295 B10R1.126 CC(C)CSCCC1CO1 62a_100000210624_100000732470 [0,0,0,1,0,1|0,0,2]=4 4296 B10R1.126 CC(C)CSCCC1CO1 62a_100000732470_100000210760 [0,0,0,1,0,1|0,0,2]=4 4297 B10R1.126 CC(C)NCCCC1CO1 2230a_100138425928_100000733510 [0,0,0,1,0,1|0,0,2]=4 4298 B10R1.126 CC(C)NCCCC1CO1 34a_100138425928_100000733510 [0,0,0,1,0,1|0,0,2]=4 4299 B10R1.126 CC(C)OCCCC1CO1 34a_100000212225_100000733510 [0,0,0,1,0,1|0,0,2]=4 4300 B10R1.126 CC(C)OCOC[C@@H]1CO1 34a_100000757423_100000709892 [0,0,0,1,0,1|1,0,1]=4 4301 B10R1.126 CC(C)OCSCC1CO1 62a_100000709892_102125554688 [0,0,0,1,0,1|1,0,1]=4 4302 B10R1.126 CC(C)OCSCC1CO1 62a_102125554688_100000709892 [0,0,0,1,0,1|1,0,1]=4 4303 B10R1.126 CC(C)OCSC[C@@H]1CO1 62a_100000709892_100000745022 [0,0,0,1,0,1|1,0,1]=4 4304 B10R1.126 CC(C)OCSC[C@@H]1CO1 62a_100000745022_100000709892 [0,0,0,1,0,1|1,0,1]=4 4305 B10R1.126 CC(C)SCCCC1CO1 62a_100000210206_100000733510 [0,0,0,1,0,1|0,0,2]=4 4306 B10R1.126 CC(C)SCCCC1CO1 62a_100000733510_100000210206 [0,0,0,1,0,1|0,0,2]=4 4307 B10R1.126 CC(O)CCCNC1CC1 34a_100000212008_200000718107 [0,0,0,1,0,1|0,0,2]=4 4308 B10R1.126 CC(O)CCCSC1CC1 62a_200000718107_100000211595 [0,0,0,1,0,1|0,0,2]=4 4309 B10R1.126 CC(O)CCNCC1CC1 2230a_100000735609_100012276601 [0,0,0,1,0,1|0,0,2]=4 4310 B10R1.126 CC(O)CCNCC1CC1 2230a_200000755665_100000742324 [0,0,0,1,0,1|0,0,2]=4 4311 B10R1.126 CC(O)CCNCC1CC1 269862a_200000755665_100000741477 [0,0,0,1,0,1|0,0,2]=4 4312 B10R1.126 CC(O)CCNCC1CC1 34a_100000735609_100012276601 [0,0,0,1,0,1|0,0,2]=4 4313 B10R1.126 CC(O)CCOCC1CC1 34a_100000211283_100012276601 [0,0,0,1,0,1|0,0,2]=4 4314 B10R1.126 CC(O)CCSCC1CC1 62a_100000756562_100012276601 [0,0,0,1,0,1|0,0,2]=4 4315 B10R1.126 CC(O)CCSCC1CC1 62a_100012276601_100000742324 [0,0,0,1,0,1|0,0,2]=4 4316 B10R1.126 CC(O)CNCCC1CC1 2230a_100000210904_100000694398 [0,0,0,1,0,1|0,0,2]=4 4317 B10R1.126 CC(O)CNCCC1CC1 34a_100000210904_100000694398 [0,0,0,1,0,1|0,0,2]=4 4318 B10R1.126 CC(O)CNCCC1CC1 34a_100000764129_100011218427 [0,0,0,1,0,1|0,0,2]=4 4319 B10R1.126 CC(O)CNN=CC1CC1 4a_200000730056_100000741477 [0,0,0,1,0,1|1,0,1]=4 4320 B10R1.126 CC(O)COCCC1CC1 34a_100000754188_100011218427 [0,0,0,1,0,1|0,0,2]=4 4321 B10R1.126 CC(O)COCCC1CC1 7a_100000754188_100011218427 [0,0,0,1,0,1|0,0,2]=4 4322 B10R1.126 CC(O)CSCCC1CC1 62a_100000764125_100011218427 [0,0,0,1,0,1|0,0,2]=4 4323 B10R1.126 CC(O)CSCCC1CC1 62a_100011218427_100000764125 [0,0,0,1,0,1|0,0,2]=4 4324 B10R1.126 CN(C)CCSCC1CO1 62a_102125554688_100000755713 [0,0,0,1,0,1|1,0,1]=4 4325 B10R1.126 CN(C)CCSC[C@@H]1CO1 62a_100000745022_100000755713 [0,0,0,1,0,1|1,0,1]=4 4326 B10R1.126 C[C@@H](O)CNCCC1CC1 34a_100000764129_100009817552 [0,0,0,1,0,1|0,0,2]=4 4327 B10R1.126 C[C@@H](O)COCCC1CC1 34a_100000754188_100009817552 [0,0,0,1,0,1|0,0,2]=4 4328 B10R1.126 C[C@@H](O)COCCC1CC1 7a_100000754188_100009817552 [0,0,0,1,0,1|0,0,2]=4 4329 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100000764125_100009817552 [0,0,0,1,0,1|0,0,2]=4 4330 B10R1.126 C[C@@H](O)CSCCC1CC1 62a_100009817552_100000764125 [0,0,0,1,0,1|0,0,2]=4 4331 B10R1.276 CC1(COCCN(C1)[13CH3])O 2230a_100011091861_200025704644 [0,0,0,1,0,1|1,0,1]=4 4332 B10R1.276 CC1(COCCN(C1)[13CH3])O 269982a_100011091861_200025704644 [0,0,0,1,0,1|1,0,1]=4 4333 B10R1.276 CN1CCOCC(C1)(C)O 2230a_100011091861_200000210301 [0,0,0,1,0,1|1,0,1]=4 4334 B10R1.276 CN1CCOCC(C1)(C)O 269982a_100011091861_200000210301 [0,0,0,1,0,1|1,0,1]=4 4335 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [0,1,0,1,0,0|0,0,2]=4 4336 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,1,0,0|1,0,1]=4 4337 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [0,1,0,1,0,0|2,0,0]=4 4338 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [0,1,0,1,0,0|2,0,0]=4 4339 B10R1.13 CC(C)N1CCC(CC1)O 2230a_100025773856_100000210206 [0,1,0,1,0,0|1,0,1]=4 4340 B10R1.13 CC(C)N1CCC(CC1)O 269982a_100025773856_100000210206 [0,1,0,1,0,0|1,0,1]=4 4341 B10R1.13 CC(O)C1CCN(CC1)C 2230a_100011728446_200000210301 [0,1,0,1,0,0|1,0,1]=4 4342 B10R1.13 CC(O)C1CCN(CC1)C 269982a_100011728446_200000210301 [0,1,0,1,0,0|1,0,1]=4 4343 B10R1.13 CC(O)C1CCN(CC1)C 34a_100011728446_200000210301 [0,1,0,1,0,0|1,0,1]=4 4344 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 2230a_100011728446_200025704644 [0,1,0,1,0,0|1,0,1]=4 4345 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 269982a_100011728446_200025704644 [0,1,0,1,0,0|1,0,1]=4 4346 B10R1.13 CC(O)C1CCN(CC1)[13CH3] 34a_100011728446_200025704644 [0,1,0,1,0,0|1,0,1]=4 4347 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [0,1,0,1,0,0|0,0,2]=4 4348 B10R1.13 CC1=CCN(CC1)C(C)C 2230a_100000693516_100000210206 [0,1,0,1,0,0|2,0,0]=4 4349 B10R1.13 CC1=CCN(CC1)C(C)C 269982a_100000693516_100000210206 [0,1,0,1,0,0|2,0,0]=4 4350 B10R1.13 CC1=CCN(CC1)C(C)C 34a_100000693516_100000210206 [0,1,0,1,0,0|2,0,0]=4 4351 B10R1.13 CN(C)C1CCC(CC1)O 270004a_100102631434_100000764474 [0,1,0,1,0,0|1,0,1]=4 4352 B10R1.13 CN(C)[C@H]1CC[C@H](CC1)O 2230a_100020636401_200000210301 [0,1,0,1,0,0|1,0,1]=4 4353 B10R1.13 CN(C)[C@H]1CC[C@H](CC1)O 269982a_100020636401_200000210301 [0,1,0,1,0,0|1,0,1]=4 4354 B10R1.13 CN([13CH3])[C@H]1CC[C@H](CC1)O 2230a_100020636401_200025704644 [0,1,0,1,0,0|1,0,1]=4 4355 B10R1.13 CN([13CH3])[C@H]1CC[C@H](CC1)O 269982a_100020636401_200025704644 [0,1,0,1,0,0|1,0,1]=4 4356 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,1,0,0|1,0,1]=4 4357 B10R1.14 CC(CO)N1CCC(C1)O 2230a_100011215560_100012180447 [0,1,0,1,0,0|1,0,1]=4 4358 B10R1.14 CCC(=O)C1CCC(C1)O 1458a_100000688591_100000210202 [0,1,0,1,0,0|1,0,1]=4 4359 B10R1.14 CCC(=O)N1CCC(C1)O 240690a_100011215560_100000210414 [0,1,0,1,0,0|2,0,0]=4 4360 B10R1.14 CCC(=O)N1CCC(C1)O 527a_100011215560_100000210414 [0,1,0,1,0,0|2,0,0]=4 4361 B10R1.14 CCC(C)N1CCC(C1)O 2230a_100011215560_100000758301 [0,1,0,1,0,0|1,0,1]=4 4362 B10R1.14 CCC(C)N1CCC(C1)O 269982a_100011215560_100000758301 [0,1,0,1,0,0|1,0,1]=4 4363 B10R1.14 CNC(=O)C1CCC(C1)O 1626a_100102657272_100000688591 [0,1,0,1,0,0|1,0,1]=4 4364 B10R1.14 CNC(=O)C1CCC(C1)O 240690a_100102657272_100000688591 [0,1,0,1,0,0|1,0,1]=4 4365 B10R1.14 CNC(=O)N1CCC(C1)O 2708a_100102657272_100011215560 [0,1,0,1,0,0|2,0,0]=4 4366 B10R1.14 CNC(=O)N1CCC(C1)O 273464a_100102657272_100011215560 [0,1,0,1,0,0|2,0,0]=4 4367 B10R1.14 COC(C)N1CCC(C1)O 269982a_100011215560_100009879195 [0,1,0,1,0,0|1,0,1]=4 4368 B10R1.14 C[C@H](CO)N1CCC(C1)O 269982a_100011215560_100016084084 [0,1,0,1,0,0|1,0,1]=4 4369 B10R1.14 O=C(CF)C1CCC(C1)O 1458a_100000688591_100015361967 [0,1,0,1,0,0|1,0,1]=4 4370 B10R1.14 O=C(CO)N1CCC(C1)O 240690a_100011215560_100000210174 [0,1,0,1,0,0|2,0,0]=4 4371 B10R1.14 O=C(CO)N1CCC(C1)O 527a_100011215560_100000210174 [0,1,0,1,0,0|2,0,0]=4 4372 B10R1.31 CC(=O)N1CCC(C1)CO 240690a_100000748654_100015343762 [0,1,0,1,0,0|2,0,0]=4 4373 B10R1.31 CC(=O)N1CCC(C1)CO 527a_100000748654_100103153847 [0,1,0,1,0,0|2,0,0]=4 4374 B10R1.31 CC(=O)N1CC[C@@H](C1)O[13CH3] 7a_100012000934_200025704644 [0,1,0,1,0,0|2,0,0]=4 4375 B10R1.31 CC(C)N1CCC(C1)CO 2230a_100000748654_100000210206 [0,1,0,1,0,0|1,0,1]=4 4376 B10R1.31 CC(C)N1CCC(C1)CO 269982a_100000748654_100000210206 [0,1,0,1,0,0|1,0,1]=4 4377 B10R1.31 CC(C)N1CCC(C1)CO 34a_100000748654_100000210206 [0,1,0,1,0,0|1,0,1]=4 4378 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 11a_100000766984_100015343762 [0,1,0,1,0,0|2,0,0]=4 4379 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 1626a_100000766984_100015343762 [0,1,0,1,0,0|2,0,0]=4 4380 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 240690a_100000766984_100015343762 [0,1,0,1,0,0|2,0,0]=4 4381 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 527a_100000766984_100103153847 [0,1,0,1,0,0|2,0,0]=4 4382 B10R1.31 CO[C@@H]1CCN(C1)C(C)C 2230a_100000766984_100000210206 [0,1,0,1,0,0|1,0,1]=4 4383 B10R1.31 CO[C@@H]1CCN(C1)C(C)C 269982a_100000766984_100000210206 [0,1,0,1,0,0|1,0,1]=4 4384 B10R1.31 CO[C@H]1CCN(C1)C(=O)C 7a_100012000934_200000210301 [0,1,0,1,0,0|2,0,0]=4 4385 B10R1.117 CC(=CCN1CCC1C)C 269982a_100000755817_100000761012 [0,1,0,1,0,0|2,0,0]=4 4386 B10R1.117 CC(=CCN1CCC1C)C 34a_100000755817_100000761012 [0,1,0,1,0,0|2,0,0]=4 4387 B10R1.117 CC(O)CCN1CCC1C 269982a_100000755817_100012276601 [0,1,0,1,0,0|1,0,1]=4 4388 B10R1.117 CC(O)CCN1CCC1C 34a_100000755817_100012276601 [0,1,0,1,0,0|1,0,1]=4 4389 B10R1.127 CC(=CCCN1CCC1)C 269982a_100000754969_100011217483 [0,1,0,1,0,0|2,0,0]=4 4390 B10R1.127 CC(=CCNC1CCC1)C 2230a_100000749019_100000761012 [0,1,0,1,0,0|2,0,0]=4 4391 B10R1.127 CC(=CCNC1CCC1)C 270004a_100000718196_100000241760 [0,1,0,1,0,0|2,0,0]=4 4392 B10R1.127 CC(=CCNC1CCC1)C 34a_100000718196_100000749161 [0,1,0,1,0,0|2,0,0]=4 4393 B10R1.127 CC(=CCNC1CCC1)C 34a_100000749019_100000761012 [0,1,0,1,0,0|2,0,0]=4 4394 B10R1.127 CC(=CCNC1COC1)C 2230a_100016991112_100000761012 [0,1,0,1,0,0|1,0,0]=3 4395 B10R1.127 CC(=CCNC1COC1)C 34a_100000718196_100009818527 [0,1,0,1,0,0|1,0,0]=3 4396 B10R1.127 CC(=CCOC1CCC1)C 34a_100000748187_100000761012 [0,1,0,1,0,0|2,0,0]=4 4397 B10R1.127 CC(=CCOC1CCC1)C 34a_100000753907_100000749161 [0,1,0,1,0,0|2,0,0]=4 4398 B10R1.127 CC(=CCOC1COC1)C 34a_100000753907_100009818527 [0,1,0,1,0,0|1,0,0]=3 4399 B10R1.127 CC(=CCOC1CSC1)C 7a_100000072292_100000761012 [0,1,0,1,0,0|1,1,0]=4 4400 B10R1.127 CC(=CCSC1CCC1)C 62a_100000761012_100000749161 [0,1,0,1,0,0|2,0,0]=4 4401 B10R1.127 CC(=CCSC1COC1)C 62a_100000761012_100009818527 [0,1,0,1,0,0|1,0,0]=3 4402 B10R1.127 CC(C)OCCC1COC1 34a_100009855314_100000210206 [0,1,0,1,0,0|1,0,1]=4 4403 B10R1.127 CC(O)CCCN1CCC1 269982a_100000754969_200000718107 [0,1,0,1,0,0|1,0,1]=4 4404 B10R1.127 CC(O)CCNC1CCC1 2230a_100000749019_100012276601 [0,1,0,1,0,0|1,0,1]=4 4405 B10R1.127 CC(O)CCNC1CCC1 270004a_200000755665_100000241760 [0,1,0,1,0,0|1,0,1]=4 4406 B10R1.127 CC(O)CCNC1CCC1 34a_100000749019_100012276601 [0,1,0,1,0,0|1,0,1]=4 4407 B10R1.127 CC(O)CCNC1COC1 2230a_100016991112_100012276601 [0,1,0,1,0,0|1,0,1]=4 4408 B10R1.127 CC(O)CCOC1CCC1 34a_100000748187_100012276601 [0,1,0,1,0,0|1,0,1]=4 4409 B10R1.127 CC(O)CCOC1CSC1 7a_100000072292_100012276601 [0,1,0,1,0,0|1,0,1]=4 4410 B10R1.127 CC(O)CCSC1CCC1 62a_100012276601_100000749161 [0,1,0,1,0,0|1,0,1]=4 4411 B10R1.127 CC(O)CCSC1COC1 62a_100012276601_100009818527 [0,1,0,1,0,0|1,0,1]=4 4412 B10R1.127 CC(O)CNN=C1CCC1 4a_200000730056_100000241760 [0,1,0,1,0,0|2,0,0]=4 4413 B10R1.127 CC(O)CNN=C1COC1 4a_200000730056_100000058695 [0,1,0,1,0,0|2,0,0]=4 4414 B10R1.127 CC(O)CNN=C1CSC1 4a_200000730056_100000073008 [0,1,0,1,0,0|2,0,0]=4 4415 B10R1.150 CC(CO)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100012180447 [0,1,0,1,0,0|1,0,1]=4 4416 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 4417 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 4418 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 4419 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 4420 B10R1.150 CCC(C)N[C@H]1C[C@@H](C1)O 2230a_100020629032_100000758301 [0,1,0,1,0,0|1,0,1]=4 4421 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 4422 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 4423 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 4424 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 4425 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 4426 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 4427 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 4428 B10R1.153 CC(CF)OCCC1CO1 34a_100016041109_100000732470 [0,1,0,1,0,0|1,0,1]=4 4429 B10R1.153 CC(CF)OCCC1CO1 7a_100016041109_100000732470 [0,1,0,1,0,0|1,0,1]=4 4430 B10R1.153 CC(CN)OCCC1CO1 34a_100000210904_100000732470 [0,1,0,1,0,0|1,0,1]=4 4431 B10R1.153 CC(CO)CCNC1CC1 34a_106354213184_100000211595 [0,1,0,1,0,0|1,0,1]=4 4432 B10R1.153 CC(CO)OCC[C@@H]1CO1 34a_100009820653_100012180447 [0,1,0,1,0,0|1,0,1]=4 4433 B10R1.153 CC(CO)SCCC1CO1 62a_100012180447_100000732470 [0,1,0,1,0,0|1,0,1]=4 4434 B10R1.153 CCC(=O)CCCC1CO1 1458a_100000210414_100000733510 [0,1,0,1,0,0|1,0,1]=4 4435 B10R1.153 CCC(C)NCCC1CO1 2230a_100000209981_100000732470 [0,1,0,1,0,0|1,0,1]=4 4436 B10R1.153 CCC(C)OCCC1CO1 7a_100000210228_100000732470 [0,1,0,1,0,0|1,0,1]=4 4437 B10R1.153 CCC(C)OCC[C@@H]1CO1 34a_100009820653_100011215416 [0,1,0,1,0,0|1,0,1]=4 4438 B10R1.153 CCC(C)SCCC1CO1 62a_100000732470_100000758301 [0,1,0,1,0,0|1,0,1]=4 4439 B10R1.153 CCC(C)SCCC1CO1 62a_100000758301_100000732470 [0,1,0,1,0,0|1,0,1]=4 4440 B10R1.153 CCN(C)CCCC1CO1 2230a_100000225621_100000733510 [0,1,0,1,0,0|1,0,1]=4 4441 B10R1.153 CCN(C)CCCC1CO1 269982a_100000225621_100000733510 [0,1,0,1,0,0|1,0,1]=4 4442 B10R1.153 COC(C)SCCC1CO1 62a_100000732470_100009879195 [0,1,0,1,0,0|1,0,1]=4 4443 B10R1.153 COC(C)SCCC1CO1 62a_100009879195_100000732470 [0,1,0,1,0,0|1,0,1]=4 4444 B10R1.153 C[C@H](CO)NCCC1CO1 2230a_100000737577_100000732470 [0,1,0,1,0,0|1,0,1]=4 4445 B10R1.153 C[C@H](CO)SCCC1CO1 62a_100000732470_100016084084 [0,1,0,1,0,0|1,0,1]=4 4446 B10R1.153 C[C@H](CO)SCCC1CO1 62a_100016084084_100000732470 [0,1,0,1,0,0|1,0,1]=4 4447 B10R1.153 O=C(CO)CCCC1CO1 1458a_100000210174_100000733510 [0,1,0,1,0,0|1,0,1]=4 4448 B10R1.168 CC(=O)NC1CC(C1)CO 240690a_100000095622_100015343762 [0,1,0,1,0,0|2,0,0]=4 4449 B10R1.168 CC(=O)NC1CC(C1)CO 527a_100000095622_100103153847 [0,1,0,1,0,0|2,0,0]=4 4450 B10R1.168 CC(C)SC1CC(C1)CO 62a_100000210206_100009874164 [0,1,0,1,0,0|1,0,1]=4 4451 B10R1.168 CC(C)SC1CC(C1)CO 62a_100009874164_100000210206 [0,1,0,1,0,0|1,0,1]=4 4452 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 11a_100121570643_100015343762 [0,1,0,1,0,0|2,0,0]=4 4453 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 1626a_100121570643_100015343762 [0,1,0,1,0,0|2,0,0]=4 4454 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 240690a_100121570643_100015343762 [0,1,0,1,0,0|2,0,0]=4 4455 B10R1.168 CO[C@H]1C[C@@H](C1)NC(=O)C 527a_100121570643_100103153847 [0,1,0,1,0,0|2,0,0]=4 4456 B10R1.168 CO[C@H]1C[C@@H](C1)NC(C)C 2230a_100121570643_100000210206 [0,1,0,1,0,0|1,0,1]=4 4457 B10R1.171 CC1(CC(CCO1)O[13CH3])C 34a_100000693217_200025704644 [0,1,0,1,0,0|1,0,1]=4 4458 B10R1.171 CC1(CC(CCO1)O[13CH3])C 7a_100000693217_200025704644 [0,1,0,1,0,0|1,0,1]=4 4459 B10R1.171 CC1(CCCC(C1)O[13CH3])C 7a_100011995757_200025704644 [0,1,0,1,0,0|0,0,2]=4 4460 B10R1.171 CC1(CCCN(C1)CF)O 269982a_100000695535_100015361967 [0,1,0,1,0,0|1,0,1]=4 4461 B10R1.171 CCN1CCCC(C1)(C)O 2230a_100000695535_100000210202 [0,1,0,1,0,0|1,0,1]=4 4462 B10R1.171 CCN1CCCC(C1)(C)O 269982a_100000695535_100000204670 [0,1,0,1,0,0|1,0,1]=4 4463 B10R1.171 COC1CCCC(C1)(C)C 7a_100011995757_200000210301 [0,1,0,1,0,0|0,0,2]=4 4464 B10R1.171 COC1CCOC(C1)(C)C 34a_100000693217_200000210301 [0,1,0,1,0,0|1,0,1]=4 4465 B10R1.171 COC1CCOC(C1)(C)C 34a_100138415774_100010191092 [0,1,0,1,0,0|1,0,1]=4 4466 B10R1.171 COC1CCOC(C1)(C)C 7a_100000693217_200000210301 [0,1,0,1,0,0|1,0,1]=4 4467 B10R1.197 CCN1CCCC(CC1)O 2230a_100015186869_100000210202 [0,1,0,1,0,0|1,0,1]=4 4468 B10R1.197 CCN1CCCC(CC1)O 269982a_100015186869_100000204670 [0,1,0,1,0,0|1,0,1]=4 4469 B10R1.197 COC1CCCN(CC1)C 2230a_100016993962_200000210301 [0,1,0,1,0,0|1,0,1]=4 4470 B10R1.197 COC1CCCN(CC1)C 269982a_100016993962_200000210301 [0,1,0,1,0,0|1,0,1]=4 4471 B10R1.197 COC1CCCN(CC1)C 34a_100016993962_200000210301 [0,1,0,1,0,0|1,0,1]=4 4472 B10R1.197 COC1CCCN(CC1)[13CH3] 2230a_100016993962_200025704644 [0,1,0,1,0,0|1,0,1]=4 4473 B10R1.197 COC1CCCN(CC1)[13CH3] 269982a_100016993962_200025704644 [0,1,0,1,0,0|1,0,1]=4 4474 B10R1.197 COC1CCCN(CC1)[13CH3] 34a_100016993962_200025704644 [0,1,0,1,0,0|1,0,1]=4 4475 B10R1.197 OC1CCCN(CC1)CF 269982a_100015186869_100015361967 [0,1,0,1,0,0|1,0,1]=4 4476 B10R1.302 CC1(CCCN(CC1)[13CH3])O 2230a_100000723723_200025704644 [0,1,0,1,0,0|1,0,1]=4 4477 B10R1.302 CC1(CCCN(CC1)[13CH3])O 269982a_100000723723_200025704644 [0,1,0,1,0,0|1,0,1]=4 4478 B10R1.302 CC1(CCCN(CC1)[13CH3])O 34a_100000723723_200025704644 [0,1,0,1,0,0|1,0,1]=4 4479 B10R1.302 CN1CCCC(CC1)(C)O 2230a_100000723723_200000210301 [0,1,0,1,0,0|1,0,1]=4 4480 B10R1.302 CN1CCCC(CC1)(C)O 269982a_100000723723_200000210301 [0,1,0,1,0,0|1,0,1]=4 4481 B10R1.302 CN1CCCC(CC1)(C)O 34a_100000723723_200000210301 [0,1,0,1,0,0|1,0,1]=4 4482 B10R1.350 CC(=CCNC1(CC1)C)C 2230a_100000757604_100000761012 [0,1,0,1,0,0|2,0,0]=4 4483 B10R1.350 CC(=CCOC1(CC1)C)C 7a_100011725673_100000761012 [0,1,0,1,0,0|2,0,0]=4 4484 B10R1.350 CC(O)CCNC1(CC1)C 2230a_100000757604_100012276601 [0,1,0,1,0,0|1,0,1]=4 4485 B10R1.350 CC(O)CCOC1(CC1)C 7a_100011725673_100012276601 [0,1,0,1,0,0|1,0,1]=4 4486 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 4487 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 4488 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 4489 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100015343762 [0,1,0,1,0,0|2,0,0]=4 4490 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100015343762 [0,1,0,1,0,0|2,0,0]=4 4491 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100103153847 [0,1,0,1,0,0|2,0,0]=4 4492 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 4493 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 4494 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 4495 B10R1.58 CC(C)N1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000210206 [0,1,0,1,0,0|1,0,1]=4 4496 B10R1.58 CC(C)N1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000210206 [0,1,0,1,0,0|1,0,1]=4 4497 B10R1.58 CC(C)N1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210206 [0,1,0,1,0,0|1,0,1]=4 4498 B10R1.58 CC(C)N1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000210206 [0,1,0,1,0,0|1,0,1]=4 4499 B10R1.58 CC(C)N1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000210206 [0,1,0,1,0,0|1,0,1]=4 4500 B10R1.58 CC(C)N1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000210206 [0,1,0,1,0,0|1,0,1]=4 4501 B10R1.81 C=C(C)C(=O)N1CC(C1)O 11a_100000749847_100000185857 [0,1,0,1,0,0|1,0,1]=4 4502 B10R1.81 CC(C)C(=O)C1CC(C1)F 1458a_100000062598_100000210206 [0,1,0,1,0,0|1,0,1]=4 4503 B10R1.81 CC(C)C(=O)N1CC(C1)O 11a_100000749847_100000210198 [0,1,0,1,0,0|1,0,1]=4 4504 B10R1.81 CC(C)C(=O)N1CC(C1)O 240690a_100000749847_100000210198 [0,1,0,1,0,0|1,0,1]=4 4505 B10R1.81 CC(C)C(=O)N1CC(C1)O 527a_100000749847_100000210198 [0,1,0,1,0,0|1,0,1]=4 4506 B10R1.81 CC(C)C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210206 [0,1,0,1,0,0|0,0,1]=3 4507 B10R1.81 CC1CC(C1)C(=O)C(C)C 1458a_100000686124_100000210206 [0,1,0,1,0,0|1,0,1]=4 4508 B10R1.81 CC1CC(C1)C(=O)N(C)C 11a_100102631434_100000686124 [0,1,0,1,0,0|2,0,0]=4 4509 B10R1.81 CC1CC(C1)C(=O)N(C)C 1626a_100102631434_100000686124 [0,1,0,1,0,0|2,0,0]=4 4510 B10R1.81 CC1CC(C1)C(=O)N(C)C 240690a_100102631434_100000686124 [0,1,0,1,0,0|2,0,0]=4 4511 B10R1.81 CC1CC(C1)C(=O)N(C)C 527a_100102631434_100000686124 [0,1,0,1,0,0|2,0,0]=4 4512 B10R1.81 CN(C)C(=O)C1CC(C1)F 11a_100102631434_100000062598 [0,1,0,1,0,0|2,0,0]=4 4513 B10R1.81 CN(C)C(=O)C1CC(C1)F 1626a_100102631434_100000062598 [0,1,0,1,0,0|2,0,0]=4 4514 B10R1.81 CN(C)C(=O)C1CC(C1)F 240690a_100102631434_100000062598 [0,1,0,1,0,0|2,0,0]=4 4515 B10R1.81 CN(C)C(=O)C1CC(C1)F 527a_100102631434_100000062598 [0,1,0,1,0,0|2,0,0]=4 4516 B10R1.81 CN(C)C(=O)[C@H]1C[C@H](C1)O 240690a_100102631434_100015266633 [0,1,0,1,0,0|1,0,0]=3 4517 B10R1.81 CN(C)C(=O)[C@H]1C[C@H](C1)O 527a_100102631434_100015266633 [0,1,0,1,0,0|1,0,0]=3 4518 B10R1.120 CC1(CC(CCN1[13CH3])O)C 2230a_100102422732_200025704644 [0,1,0,1,0,0|1,0,1]=4 4519 B10R1.120 CC1(CC(CCN1[13CH3])O)C 269982a_100102422732_200025704644 [0,1,0,1,0,0|1,0,1]=4 4520 B10R1.120 CN1CCC(CC1(C)C)O 2230a_100102422732_200000210301 [0,1,0,1,0,0|1,0,1]=4 4521 B10R1.120 CN1CCC(CC1(C)C)O 269982a_100102422732_200000210301 [0,1,0,1,0,0|1,0,1]=4 4522 B10R1.205 C=C(C)C(=O)CCC1CC1 1458a_100000185857_100000694398 [0,1,0,1,0,0|1,0,1]=4 4523 B10R1.205 C=C(C)C(=O)CCC1CO1 1458a_100000185857_100000732470 [0,1,0,1,0,0|0,0,1]=3 4524 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000210198_100000694398 [0,1,0,1,0,0|1,0,1]=4 4525 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000756386_100000210206 [0,1,0,1,0,0|1,0,1]=4 4526 B10R1.205 CC(C)C(=O)CCC1CO1 1458a_100000210198_100000732470 [0,1,0,1,0,0|0,0,1]=3 4527 B10R1.205 CC(C)N(C)CCC1CO1 269982a_200000211004_100000732470 [0,1,0,1,0,0|1,0,1]=4 4528 B10R1.205 CC(F)C(=O)CCC1CO1 1458a_100000062450_100000732470 [0,1,0,1,0,0|1,0,1]=4 4529 B10R1.205 CN(C)C(=O)CCC1CC1 11a_100102631434_100000756386 [0,1,0,1,0,0|2,0,0]=4 4530 B10R1.205 CN(C)C(=O)CCC1CC1 1626a_100102631434_100000756386 [0,1,0,1,0,0|2,0,0]=4 4531 B10R1.205 CN(C)C(=O)CCC1CC1 240690a_100102631434_100000756386 [0,1,0,1,0,0|2,0,0]=4 4532 B10R1.205 CN(C)C(=O)CCC1CC1 527a_100102631434_100000756386 [0,1,0,1,0,0|2,0,0]=4 4533 B10R1.205 C[C@@H](O)C(=O)CCC1CO1 1458a_100000717761_100000732470 [0,1,0,1,0,0|1,0,1]=4 4534 B10R1.205 C[C@H](O)C(=O)CCC1CO1 1458a_217856618621_100000732470 [0,1,0,1,0,0|1,0,1]=4 4535 B10R1.211 CC(=CCC(=O)C1CC1)C 1458a_100000210395_100000761012 [0,1,0,1,0,0|1,0,1]=4 4536 B10R1.211 CC(=CCC(=O)C1CO1)C 1458a_100000701028_100000761012 [0,1,0,1,0,0|0,0,1]=3 4537 B10R1.211 CC(=CCN(C)C1CC1)C 2230a_100000226674_100000761012 [0,1,0,1,0,0|2,0,0]=4 4538 B10R1.211 CC(=CCN(C)C1CC1)C 269982a_100000226674_100000761012 [0,1,0,1,0,0|2,0,0]=4 4539 B10R1.211 CC(C)CCC(=O)C1CC1 1458a_100000210395_100000210312 [0,1,0,1,0,0|1,0,1]=4 4540 B10R1.211 CC(O)CCC(=O)C1CC1 1458a_100000210395_100012276601 [0,1,0,1,0,0|0,0,1]=3 4541 B10R1.211 CC(O)CCC(=O)C1CO1 1458a_100000701028_100012276601 [0,1,0,1,0,0|1,0,1]=4 4542 B10R1.211 CC(O)CCN(C)C1CC1 2230a_100000226674_100012276601 [0,1,0,1,0,0|1,0,1]=4 4543 B10R1.211 CC(O)CCN(C)C1CC1 269982a_100000226674_100012276601 [0,1,0,1,0,0|1,0,1]=4 4544 B10R1.211 CC(O)CNC(=O)C1CC1 11a_100000210904_100000210395 [0,1,0,1,0,0|1,0,1]=4 4545 B10R1.211 CC(O)CNC(=O)C1CC1 240690a_100000210904_100000210395 [0,1,0,1,0,0|1,0,1]=4 4546 B10R1.211 CC(O)CNC(=O)C1CC1 527a_100000210904_100000210395 [0,1,0,1,0,0|1,0,1]=4 4547 B10R1.359 CC(=O)N1CCC(C1)(C)O 11a_100000718628_100015343762 [0,1,0,1,0,0|2,0,0]=4 4548 B10R1.359 CC(=O)N1CCC(C1)(C)O 240690a_100000718628_100015343762 [0,1,0,1,0,0|2,0,0]=4 4549 B10R1.359 CC(=O)N1CCC(C1)(C)O 527a_100000718628_100103153847 [0,1,0,1,0,0|2,0,0]=4 4550 B10R1.359 CC(C)N1CCC(C1)(C)O 2230a_100000718628_100000210206 [0,1,0,1,0,0|1,0,1]=4 4551 B10R1.359 CC(C)N1CCC(C1)(C)O 269982a_100000718628_100000210206 [0,1,0,1,0,0|1,0,1]=4 4552 B10R1.494 CC(C)C(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210206 [0,1,0,1,0,0|1,0,1]=4 4553 B10R1.494 CN(C)C(=O)[C@H]1CC1(C)C 11a_100102631434_100000692687 [0,1,0,1,0,0|2,0,0]=4 4554 B10R1.494 CN(C)C(=O)[C@H]1CC1(C)C 1626a_100102631434_100000692687 [0,1,0,1,0,0|2,0,0]=4 4555 B10R1.494 CN(C)C(=O)[C@H]1CC1(C)C 240690a_100102631434_100000692687 [0,1,0,1,0,0|2,0,0]=4 4556 B10R1.494 CN(C)C(=O)[C@H]1CC1(C)C 527a_100102631434_100000692687 [0,1,0,1,0,0|2,0,0]=4 4557 B10R1.268 CC(=CC(=O)CC1CC1)C 1458a_100000211388_100000742324 [0,1,0,1,0,0|1,0,1]=4 4558 B10R1.268 CC(=CC(=O)CC1CO1)C 1458a_100000211388_100011216344 [0,1,0,1,0,0|0,0,1]=3 4559 B10R1.268 CC(=CC(=O)CC1CO1)Cl 1458a_200042562850_100011216344 [0,1,0,1,0,0|1,0,1]=4 4560 B10R1.268 CC(=CC(=O)CC1CO1)I 1458a_100025716642_100011216344 [0,1,0,1,0,0|1,0,1]=4 4561 B10R1.268 CC(=CC(=O)CC1CS1)C 1458a_100000211388_100000031435 [0,1,0,1,0,0|0,1,1]=4 4562 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)C 1458a_100000211388_100000745022 [0,1,0,1,0,0|0,0,1]=3 4563 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)Cl 1458a_200042562850_100000745022 [0,1,0,1,0,0|1,0,1]=4 4564 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)I 1458a_100025716642_100000745022 [0,1,0,1,0,0|1,0,1]=4 4565 B10R1.268 CC(=CC(C)OC1CC1)C 34a_100000717055_100000211595 [0,1,0,1,0,0|2,0,0]=4 4566 B10R1.371 CC(=O)N[C@H]1C[C@@](C1)(C)O 11a_100121572536_100015343762 [0,1,0,1,0,0|2,0,0]=4 4567 B10R1.371 CC(=O)N[C@H]1C[C@@](C1)(C)O 1626a_100121572536_100015343762 [0,1,0,1,0,0|2,0,0]=4 4568 B10R1.371 CC(=O)N[C@H]1C[C@@](C1)(C)O 240690a_100121572536_100015343762 [0,1,0,1,0,0|2,0,0]=4 4569 B10R1.371 CC(=O)N[C@H]1C[C@@](C1)(C)O 527a_100121572536_100103153847 [0,1,0,1,0,0|2,0,0]=4 4570 B10R1.371 CC(C)N[C@H]1C[C@@](C1)(C)O 2230a_100121572536_100000210206 [0,1,0,1,0,0|1,0,1]=4 4571 B10R1.55 CC(C)(C)N1CCC(C1)O 269982a_100011215560_100000210625 [0,1,0,1,0,0|1,0,1]=4 4572 B10R1.55 CC(C)(O)[C@@H]1CCN(C1)[13CH3] 2230a_100132313854_200025704644 [0,1,0,1,0,0|1,0,1]=4 4573 B10R1.55 CC(C)(O)[C@@H]1CCN(C1)[13CH3] 269982a_100132313854_200025704644 [0,1,0,1,0,0|1,0,1]=4 4574 B10R1.55 CC(C)(O)[C@@H]1CCN(C1)[13CH3] 34a_100132313854_200025704644 [0,1,0,1,0,0|1,0,1]=4 4575 B10R1.55 CN1CC[C@H](C1)C(C)(C)O 2230a_100132313854_200000210301 [0,1,0,1,0,0|1,0,1]=4 4576 B10R1.55 CN1CC[C@H](C1)C(C)(C)O 269982a_100132313854_200000210301 [0,1,0,1,0,0|1,0,1]=4 4577 B10R1.55 CN1CC[C@H](C1)C(C)(C)O 34a_100132313854_200000210301 [0,1,0,1,0,0|1,0,1]=4 4578 B10R1.210 CC(C)(C)NCCC1CO1 2230a_100000715429_100000732470 [0,1,0,1,0,0|1,0,1]=4 4579 B10R1.210 CC(C)(C)OCCC1CO1 34a_100015890283_100000732470 [0,1,0,1,0,0|1,0,1]=4 4580 B10R1.210 CC(C)(C)OCCC1CO1 7a_100015890283_100000732470 [0,1,0,1,0,0|1,0,1]=4 4581 B10R1.210 CC(C)(C)OCC[C@@H]1CO1 34a_100009820653_100000210625 [0,1,0,1,0,0|1,0,1]=4 4582 B10R1.210 CC(C)(C)SCCC1CO1 62a_100000211941_100000732470 [0,1,0,1,0,0|1,0,1]=4 4583 B10R1.210 CC(C)(C)SCCC1CO1 62a_100000732470_100000211941 [0,1,0,1,0,0|1,0,1]=4 4584 B10R1.210 CC(C)(O)CCNC1CC1 34a_100000212008_100000702414 [0,1,0,1,0,0|1,0,1]=4 4585 B10R1.210 CC(C)(O)CCSC1CC1 62a_100000702414_100000211595 [0,1,0,1,0,0|1,0,1]=4 4586 B10R2.14 OC1CCN(C1)C2CC2 269982a_100011215560_100000211595 [0,0,0,2,0,0|1,0,1]=4 4587 B10R2.315 CN1CC2(C1)CC(C2)O 2230a_100016990924_200000210301 [0,0,0,2,0,0|1,0,1]=4 4588 B10R2.315 CN1CC2(C1)CC(C2)O 269982a_100016990924_200000210301 [0,0,0,2,0,0|1,0,1]=4 4589 B10R2.315 [13CH3]N1CC2(C1)CC(C2)O 2230a_100016990924_200025704644 [0,0,0,2,0,0|1,0,1]=4 4590 B10R2.315 [13CH3]N1CC2(C1)CC(C2)O 269982a_100016990924_200025704644 [0,0,0,2,0,0|1,0,1]=4 4591 B10R2.410 C(CC1CO1)NC2CC2 34a_100000212008_100000732470 [0,0,0,2,0,0|1,0,1]=4 4592 B10R2.410 C(CC1CO1)SC2CC2 62a_100000732470_100000211595 [0,0,0,2,0,0|1,0,1]=4 4593 B10R2.410 C(C[C@@H]1CO1)OC2CC2 34a_100009820653_100000211595 [0,0,0,2,0,0|1,0,1]=4 4594 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,0,0,2,0|0,0,2]=4 4595 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,0,0,2,0|0,0,2]=4 4596 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,2,0|2,0,0]=4 4597 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,2,0|2,0,0]=4 4598 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,0,0,2,0|1,0,0]=3 4599 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,0,0,2,0|1,0,0]=3 4600 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,2,0|2,0,0]=4 4601 B6R0.2 CC(C)CN(C)C 2230a_100000747067_200000210301 [0,0,0,0,2,0|2,0,0]=4 4602 B6R0.2 CC(C)CN(C)C 2230a_100102631434_100000210760 [0,0,0,0,2,0|2,0,0]=4 4603 B6R0.2 CC(C)CN(C)C 269982a_100000747067_200000210301 [0,0,0,0,2,0|2,0,0]=4 4604 B6R0.2 CC(C)CN(C)C 269982a_100102631434_100000210624 [0,0,0,0,2,0|2,0,0]=4 4605 B6R0.2 CC(C)CN(C)C 270004a_100102631434_100000210432 [0,0,0,0,2,0|2,0,0]=4 4606 B6R0.2 CC(C)CN(C)[13CH3] 2230a_100000747067_200025704644 [0,0,0,0,2,0|2,0,0]=4 4607 B6R0.2 CC(C)CN(C)[13CH3] 269982a_100000747067_200025704644 [0,0,0,0,2,0|2,0,0]=4 4608 B6R0.2 CC(O)CN(C)C 2230a_100000227577_200000210301 [0,0,0,0,2,0|1,0,0]=3 4609 B6R0.2 CC(O)CN(C)C 2230a_100102631434_100011218427 [0,0,0,0,2,0|1,0,0]=3 4610 B6R0.2 CC(O)CN(C)C 269982a_100000227577_200000210301 [0,0,0,0,2,0|1,0,0]=3 4611 B6R0.2 CC(O)CN(C)C 269982a_100102631434_100011218427 [0,0,0,0,2,0|1,0,0]=3 4612 B6R0.2 CC(O)CN(C)[13CH3] 2230a_100000227577_200025704644 [0,0,0,0,2,0|1,0,0]=3 4613 B6R0.2 CC(O)CN(C)[13CH3] 269982a_100000227577_200025704644 [0,0,0,0,2,0|1,0,0]=3 4614 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,0,0,2,0|1,0,0]=3 4615 B6R0.2 C[C@@H](O)CN(C)C 2230a_100102631434_100009817552 [0,0,0,0,2,0|1,0,0]=3 4616 B6R0.2 C[C@@H](O)CN(C)C 269982a_100102631434_100009817552 [0,0,0,0,2,0|1,0,0]=3 4617 B10R0.97 C=C(C)CCNCC=C(C)C 34a_100000718196_100000730704 [0,0,0,0,0,2|1,0,1]=4 4618 B10R0.97 C=C(C)CCNCCC(C)O 2230a_200000755665_100000730704 [0,0,0,0,0,2|0,0,2]=4 4619 B10R0.97 C=C(C)CCOCC=C(C)C 34a_100000753907_100000730704 [0,0,0,0,0,2|1,0,1]=4 4620 B10R0.97 C=C(C)CCOCC=C(C)C 34a_100000764851_100000761012 [0,0,0,0,0,2|1,0,1]=4 4621 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [0,0,0,0,0,2|0,0,2]=4 4622 B10R0.97 C=C(C)CCSCC=C(C)C 62a_100000730704_100000761012 [0,0,0,0,0,2|1,0,1]=4 4623 B10R0.97 C=C(C)CCSCC=C(C)C 62a_100000761012_100000730704 [0,0,0,0,0,2|1,0,1]=4 4624 B10R0.97 C=C(C)CCSCCC(C)O 62a_100000730704_100012276601 [0,0,0,0,0,2|0,0,2]=4 4625 B10R0.97 C=C(C)CCSCCC(C)O 62a_100012276601_100000730704 [0,0,0,0,0,2|0,0,2]=4 4626 B10R0.97 C=C(C)COCCC=C(C)C 34a_100000210245_100011217483 [0,0,0,0,0,2|1,0,1]=4 4627 B10R0.97 C=C(C)COCCCC(C)O 34a_100000210245_200000718107 [0,0,0,0,0,2|0,0,2]=4 4628 B10R0.97 C=C(C)CSCCC=C(C)C 62a_100000748629_100011217483 [0,0,0,0,0,2|1,0,1]=4 4629 B10R0.97 C=C(C)CSCCC=C(C)C 62a_100011217483_100000211660 [0,0,0,0,0,2|1,0,1]=4 4630 B10R0.97 C=C(C)CSCCCC(C)O 62a_100000748629_200000718107 [0,0,0,0,0,2|0,0,2]=4 4631 B10R0.97 C=C(C)CSCCCC(C)O 62a_200000718107_100000211660 [0,0,0,0,0,2|0,0,2]=4 4632 B10R0.97 CC(=CC=NNCC(C)O)C 4a_200000730056_100011215525 [0,0,0,0,0,2|0,0,1]=3 4633 B10R0.97 CC(=CCCNCC(=O)O)C 269956a_100016091260_100011217483 [0,0,0,0,0,2|1,0,1]=4 4634 B10R0.97 CC(=CCCNCC(C)C)C 2230a_100000210953_100011217483 [0,0,0,0,0,2|1,0,0]=3 4635 B10R0.97 CC(=CCCNCC(C)C)C 34a_100000210953_100011217483 [0,0,0,0,0,2|1,0,0]=3 4636 B10R0.97 CC(=CCCNCC(C)O)C 2230a_100000210904_100011217483 [0,0,0,0,0,2|0,0,0]=2 4637 B10R0.97 CC(=CCCNCC(C)O)C 34a_100000210904_100011217483 [0,0,0,0,0,2|0,0,0]=2 4638 B10R0.97 CC(=CCCNCC(F)F)C 34a_100000765723_100011217483 [0,0,0,0,0,2|2,0,0]=4 4639 B10R0.97 CC(=CCCOCC(C)Br)C 34a_100012180447_100011217483 [0,0,0,0,0,2|1,0,0]=3 4640 B10R0.97 CC(=CCCOCC(C)C)C 34a_100000210257_100011217483 [0,0,0,0,0,2|1,0,0]=3 4641 B10R0.97 CC(=CCCOCC(C)F)C 34a_100015925927_100011217483 [0,0,0,0,0,2|1,0,0]=3 4642 B10R0.97 CC(=CCCOCC(F)F)C 34a_100000743014_100011217483 [0,0,0,0,0,2|2,0,0]=4 4643 B10R0.97 CC(=CCCOC[C@@H](C)Cl)C 34a_100016084084_100011217483 [0,0,0,0,0,2|1,0,0]=3 4644 B10R0.97 CC(=CCCOC[C@@H](C)N)C 34a_100000737577_100011217483 [0,0,0,0,0,2|1,0,0]=3 4645 B10R0.97 CC(=CCCSCC(C)C)C 62a_100000210624_100011217483 [0,0,0,0,0,2|1,0,0]=3 4646 B10R0.97 CC(=CCCSCC(C)C)C 62a_100011217483_100000210760 [0,0,0,0,0,2|1,0,0]=3 4647 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011217483_100011218427 [0,0,0,0,0,2|0,0,0]=2 4648 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011218427_100011217483 [0,0,0,0,0,2|0,0,0]=2 4649 B10R0.97 CC(=CCCSCC(F)F)C 62a_100011217483_100011934356 [0,0,0,0,0,2|2,0,0]=4 4650 B10R0.97 CC(=CCCSCC(F)F)C 62a_100011934356_100011217483 [0,0,0,0,0,2|2,0,0]=4 4651 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100009817552_100011217483 [0,0,0,0,0,2|0,0,0]=2 4652 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100011217483_100009817552 [0,0,0,0,0,2|0,0,0]=2 4653 B10R0.97 CC(=CCNCC=C(C)C)C 34a_100000718196_100000761012 [0,0,0,0,0,2|1,0,1]=4 4654 B10R0.97 CC(=CCNCCC(C)C)C 34a_100000718196_100000210312 [0,0,0,0,0,2|1,0,0]=3 4655 B10R0.97 CC(=CCNCCC(C)O)C 2230a_200000755665_100000761012 [0,0,0,0,0,2|0,0,0]=2 4656 B10R0.97 CC(=CCNCCC(C)O)C 34a_100000718196_100012276601 [0,0,0,0,0,2|0,0,0]=2 4657 B10R0.97 CC(=CCNCOC(C)C)C 34a_100000718196_100000709892 [0,0,0,0,0,2|1,0,0]=3 4658 B10R0.97 CC(=CCNOCC(=O)O)C 269956a_100000106656_100000761012 [0,0,0,0,0,2|1,0,1]=4 4659 B10R0.97 CC(=CCOCC=C(C)C)C 34a_100000753907_100000761012 [0,0,0,0,0,2|1,0,1]=4 4660 B10R0.97 CC(=CCOCCC(C)Br)C 34a_100009893172_100000761012 [0,0,0,0,0,2|1,0,0]=3 4661 B10R0.97 CC(=CCOCCC(C)C)C 34a_100000210254_100000761012 [0,0,0,0,0,2|1,0,0]=3 4662 B10R0.97 CC(=CCOCCC(C)C)C 34a_100000753907_100000210312 [0,0,0,0,0,2|1,0,0]=3 4663 B10R0.97 CC(=CCOCCC(C)C)C 7a_100000210254_100000761012 [0,0,0,0,0,2|1,0,0]=3 4664 B10R0.97 CC(=CCOCCC(C)O)C 34a_100000753907_100012276601 [0,0,0,0,0,2|0,0,0]=2 4665 B10R0.97 CC(=CCOCCC(F)F)C 34a_100103093639_100000761012 [0,0,0,0,0,2|2,0,0]=4 4666 B10R0.97 CC(=CCOCC[C@@H](C)N)C 34a_100000706166_100000761012 [0,0,0,0,0,2|1,0,0]=3 4667 B10R0.97 CC(=CCOCOC(C)C)C 34a_100000753907_100000709892 [0,0,0,0,0,2|1,0,0]=3 4668 B10R0.97 CC(=CCSCC=C(C)C)C 62a_100000761012_100000761012 [0,0,0,0,0,2|1,0,1]=4 4669 B10R0.97 CC(=CCSCCC(C)C)C 62a_100000210312_100000761012 [0,0,0,0,0,2|1,0,0]=3 4670 B10R0.97 CC(=CCSCCC(C)C)C 62a_100000761012_100000210312 [0,0,0,0,0,2|1,0,0]=3 4671 B10R0.97 CC(=CCSCCC(C)O)C 62a_100000761012_100012276601 [0,0,0,0,0,2|0,0,0]=2 4672 B10R0.97 CC(=CCSCCC(C)O)C 62a_100012276601_100000761012 [0,0,0,0,0,2|0,0,0]=2 4673 B10R0.97 CC(=CCSCCN(C)C)C 62a_100000761012_100000755713 [0,0,0,0,0,2|2,0,0]=4 4674 B10R0.97 CC(=CCSCOC(C)C)C 62a_100000709892_100000761012 [0,0,0,0,0,2|1,0,0]=3 4675 B10R0.97 CC(=CCSCOC(C)C)C 62a_100000761012_100000709892 [0,0,0,0,0,2|1,0,0]=3 4676 B10R0.97 CC(=O)CCCNCC(C)O 34a_100000210904_100000685027 [0,0,0,0,0,2|1,0,1]=4 4677 B10R0.97 CC(=O)CCCOCC(C)O 34a_100000759063_100011218427 [0,0,0,0,0,2|1,0,1]=4 4678 B10R0.97 CC(=O)CCCOCC(C)O 7a_100000759063_100011218427 [0,0,0,0,0,2|1,0,1]=4 4679 B10R0.97 CC(=O)CCCOC[C@@H](C)O 34a_100000759063_100009817552 [0,0,0,0,0,2|1,0,1]=4 4680 B10R0.97 CC(=O)CCCOC[C@@H](C)O 7a_100000759063_100009817552 [0,0,0,0,0,2|1,0,1]=4 4681 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011215641_100011218427 [0,0,0,0,0,2|1,0,1]=4 4682 B10R0.97 CC(=O)CCCSCC(C)O 62a_100011218427_100011215641 [0,0,0,0,0,2|1,0,1]=4 4683 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100009817552_100011215641 [0,0,0,0,0,2|1,0,1]=4 4684 B10R0.97 CC(=O)CCCSC[C@@H](C)O 62a_100011215641_100009817552 [0,0,0,0,0,2|1,0,1]=4 4685 B10R0.97 CC(=O)CCOCC=C(C)C 34a_100000759926_100000761012 [0,0,0,0,0,2|0,0,2]=4 4686 B10R0.97 CC(=O)CCOCC=C(C)C 7a_100000759926_100000761012 [0,0,0,0,0,2|0,0,2]=4 4687 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [0,0,0,0,0,2|1,0,1]=4 4688 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [0,0,0,0,0,2|1,0,1]=4 4689 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000053229_100000761012 [0,0,0,0,0,2|0,0,2]=4 4690 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000761012_100000053229 [0,0,0,0,0,2|0,0,2]=4 4691 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [0,0,0,0,0,2|1,0,1]=4 4692 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [0,0,0,0,0,2|1,0,1]=4 4693 B10R0.97 CC(=O)COCCC=C(C)C 34a_100000211253_100011217483 [0,0,0,0,0,2|0,0,2]=4 4694 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [0,0,0,0,0,2|1,0,1]=4 4695 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000209853_100011218427 [0,0,0,0,0,2|1,0,1]=4 4696 B10R0.97 CC(=O)NCCNCC(C)O 2230a_100000210904_100000189650 [0,0,0,0,0,2|1,0,1]=4 4697 B10R0.97 CC(=O)NCCNC[C@@H](C)O 2230a_100000209853_100009817552 [0,0,0,0,0,2|1,0,1]=4 4698 B10R0.97 CC(=O)NCCOCC(C)O 34a_100000158858_100011218427 [0,0,0,0,0,2|1,0,1]=4 4699 B10R0.97 CC(=O)NCCOC[C@@H](C)O 34a_100000158858_100009817552 [0,0,0,0,0,2|1,0,1]=4 4700 B10R0.97 CC(=O)NCCSCC(C)O 62a_100000189650_100011218427 [0,0,0,0,0,2|1,0,1]=4 4701 B10R0.97 CC(=O)NCCSCC(C)O 62a_100011218427_100000189650 [0,0,0,0,0,2|1,0,1]=4 4702 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100000189650_100009817552 [0,0,0,0,0,2|1,0,1]=4 4703 B10R0.97 CC(=O)NCCSC[C@@H](C)O 62a_100009817552_100000189650 [0,0,0,0,0,2|1,0,1]=4 4704 B10R0.97 CC(=O)OCCNCC(C)O 34a_100000210904_100009814007 [0,0,0,0,0,2|1,0,1]=4 4705 B10R0.97 CC(=O)OCCSCC(C)O 62a_100009814007_100011218427 [0,0,0,0,0,2|1,0,1]=4 4706 B10R0.97 CC(=O)OCCSCC(C)O 62a_100011218427_100009814007 [0,0,0,0,0,2|1,0,1]=4 4707 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009814007_100009817552 [0,0,0,0,0,2|1,0,1]=4 4708 B10R0.97 CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100009814007 [0,0,0,0,0,2|1,0,1]=4 4709 B10R0.97 CC(=O)OCNCC=C(C)C 34a_100000718196_100009813279 [0,0,0,0,0,2|0,0,2]=4 4710 B10R0.97 CC(=O)OCOCC=C(C)C 34a_100000753907_100009813279 [0,0,0,0,0,2|0,0,2]=4 4711 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000076356_100000761012 [0,0,0,0,0,2|0,0,2]=4 4712 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000761012_100000076356 [0,0,0,0,0,2|0,0,2]=4 4713 B10R0.97 CC(=O)OCSCCC(C)O 62a_100000076356_100012276601 [0,0,0,0,0,2|1,0,1]=4 4714 B10R0.97 CC(=O)OCSCCC(C)O 62a_100012276601_100000076356 [0,0,0,0,0,2|1,0,1]=4 4715 B10R0.97 CC(C)CC=NNCC(C)O 4a_200000730056_100000185833 [0,0,0,0,0,2|1,0,1]=4 4716 B10R0.97 CC(C)CCCNCC(C)O 2230a_100000210904_100011214892 [0,0,0,0,0,2|0,0,2]=4 4717 B10R0.97 CC(C)CCCNCC(C)O 2230a_200000737386_100011218427 [0,0,0,0,0,2|0,0,2]=4 4718 B10R0.97 CC(C)CCCNCC(C)O 34a_100000210904_100011214892 [0,0,0,0,0,2|0,0,2]=4 4719 B10R0.97 CC(C)CCCNCC(C)O 34a_200000737386_100011218427 [0,0,0,0,0,2|0,0,2]=4 4720 B10R0.97 CC(C)CCCNC[C@@H](C)O 2230a_200000737386_100009817552 [0,0,0,0,0,2|0,0,2]=4 4721 B10R0.97 CC(C)CCCNC[C@@H](C)O 34a_200000737386_100009817552 [0,0,0,0,0,2|0,0,2]=4 4722 B10R0.97 CC(C)CCCOCC(C)O 34a_100000210774_100011218427 [0,0,0,0,0,2|0,0,2]=4 4723 B10R0.97 CC(C)CCCOCC(C)O 7a_100000210774_100011218427 [0,0,0,0,0,2|0,0,2]=4 4724 B10R0.97 CC(C)CCCOC[C@@H](C)O 34a_100000210774_100009817552 [0,0,0,0,0,2|0,0,2]=4 4725 B10R0.97 CC(C)CCCOC[C@@H](C)O 7a_100000210774_100009817552 [0,0,0,0,0,2|0,0,2]=4 4726 B10R0.97 CC(C)CCCSCC(C)O 62a_100011214892_100011218427 [0,0,0,0,0,2|0,0,2]=4 4727 B10R0.97 CC(C)CCCSCC(C)O 62a_100011218427_100011214892 [0,0,0,0,0,2|0,0,2]=4 4728 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100009817552_100011214892 [0,0,0,0,0,2|0,0,2]=4 4729 B10R0.97 CC(C)CCCSC[C@@H](C)O 62a_100011214892_100009817552 [0,0,0,0,0,2|0,0,2]=4 4730 B10R0.97 CC(C)CCNCCC(C)O 2230a_200000755665_100000210312 [0,0,0,0,0,2|0,0,2]=4 4731 B10R0.97 CC(C)CCNCCC(C)O 269862a_200000755665_100000185833 [0,0,0,0,0,2|0,0,2]=4 4732 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [0,0,0,0,0,2|0,0,2]=4 4733 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [0,0,0,0,0,2|0,0,2]=4 4734 B10R0.97 CC(C)CCSCCC(C)O 62a_100000210312_100012276601 [0,0,0,0,0,2|0,0,2]=4 4735 B10R0.97 CC(C)CCSCCC(C)O 62a_100012276601_100000210312 [0,0,0,0,0,2|0,0,2]=4 4736 B10R0.97 CC(C)CNCCCC(C)O 2230a_100000210953_200000718107 [0,0,0,0,0,2|0,0,2]=4 4737 B10R0.97 CC(C)CNCCCC(C)O 34a_100000210953_200000718107 [0,0,0,0,0,2|0,0,2]=4 4738 B10R0.97 CC(C)COCCCC(C)O 34a_100000210257_200000718107 [0,0,0,0,0,2|0,0,2]=4 4739 B10R0.97 CC(C)CSCCCC(C)O 62a_100000210624_200000718107 [0,0,0,0,0,2|0,0,2]=4 4740 B10R0.97 CC(C)CSCCCC(C)O 62a_200000718107_100000210760 [0,0,0,0,0,2|0,0,2]=4 4741 B10R0.97 CC(C)NCCOC[C@@H](C)O 34a_100000224655_100009817552 [0,0,0,0,0,2|0,0,2]=4 4742 B10R0.97 CC(C)OCCNC[C@@H](C)O 2230a_100000701111_100009817552 [0,0,0,0,0,2|0,0,2]=4 4743 B10R0.97 CC(C)OCCNC[C@@H](C)O 34a_100000701111_100009817552 [0,0,0,0,0,2|0,0,2]=4 4744 B10R0.97 CC(C)OCCOC[C@@H](C)O 34a_100000211219_100009817552 [0,0,0,0,0,2|0,0,2]=4 4745 B10R0.97 CC(C)OCCOC[C@@H](C)O 7a_100000211219_100009817552 [0,0,0,0,0,2|0,0,2]=4 4746 B10R0.97 CC(C)OCCSC[C@@H](C)O 62a_100000211751_100009817552 [0,0,0,0,0,2|0,0,2]=4 4747 B10R0.97 CC(C)OCCSC[C@@H](C)O 62a_100009817552_100000211751 [0,0,0,0,0,2|0,0,2]=4 4748 B10R0.97 CC(C)SCCNC[C@@H](C)O 2230a_100000731138_100009817552 [0,0,0,0,0,2|0,0,2]=4 4749 B10R0.97 CC(C)SCCNC[C@@H](C)O 34a_100000731138_100009817552 [0,0,0,0,0,2|0,0,2]=4 4750 B10R0.97 CC(C)SCCOC[C@@H](C)O 34a_200011212901_100009817552 [0,0,0,0,0,2|0,0,2]=4 4751 B10R0.97 CC(C)SCCOC[C@@H](C)O 7a_200011212901_100009817552 [0,0,0,0,0,2|0,0,2]=4 4752 B10R0.97 CC(C)SCCSC[C@@H](C)O 62a_100000730970_100009817552 [0,0,0,0,0,2|0,0,2]=4 4753 B10R0.97 CC(C)SCCSC[C@@H](C)O 62a_100009817552_100000730970 [0,0,0,0,0,2|0,0,2]=4 4754 B10R0.97 CC(O)CCNCOC(C)C 2230a_200000755665_100000709892 [0,0,0,0,0,2|0,0,2]=4 4755 B10R0.97 CC(O)CCSCCN(C)C 62a_100012276601_100000755713 [0,0,0,0,0,2|1,0,1]=4 4756 B10R0.97 CC(O)CCSCOC(C)C 62a_100000709892_100012276601 [0,0,0,0,0,2|0,0,2]=4 4757 B10R0.97 CC(O)CCSCOC(C)C 62a_100012276601_100000709892 [0,0,0,0,0,2|0,0,2]=4 4758 B10R0.97 CC(O)CNCCC=C(F)F 2230a_100000210904_200009816681 [0,0,0,0,0,2|2,0,0]=4 4759 B10R0.97 CC(O)CNCCC=C(F)F 34a_100000210904_200009816681 [0,0,0,0,0,2|2,0,0]=4 4760 B10R0.97 CC(O)CNCCOC(C)C 2230a_100000210904_100000211751 [0,0,0,0,0,2|0,0,2]=4 4761 B10R0.97 CC(O)CNCCOC(C)C 2230a_100000701111_100011218427 [0,0,0,0,0,2|0,0,2]=4 4762 B10R0.97 CC(O)CNCCOC(C)C 34a_100000210904_100000211751 [0,0,0,0,0,2|0,0,2]=4 4763 B10R0.97 CC(O)CNCCOC(C)C 34a_100000701111_100011218427 [0,0,0,0,0,2|0,0,2]=4 4764 B10R0.97 CC(O)CNCCSC(C)C 2230a_100000210904_100000730970 [0,0,0,0,0,2|0,0,2]=4 4765 B10R0.97 CC(O)CNCCSC(C)C 2230a_100000731138_100011218427 [0,0,0,0,0,2|0,0,2]=4 4766 B10R0.97 CC(O)CNCCSC(C)C 34a_100000210904_100000730970 [0,0,0,0,0,2|0,0,2]=4 4767 B10R0.97 CC(O)CNCCSC(C)C 34a_100000731138_100011218427 [0,0,0,0,0,2|0,0,2]=4 4768 B10R0.97 CC(O)COCCNC(C)C 34a_100000224655_100011218427 [0,0,0,0,0,2|0,0,2]=4 4769 B10R0.97 CC(O)COCCOC(C)C 34a_100000211219_100011218427 [0,0,0,0,0,2|0,0,2]=4 4770 B10R0.97 CC(O)COCCOC(C)C 7a_100000211219_100011218427 [0,0,0,0,0,2|0,0,2]=4 4771 B10R0.97 CC(O)COCCSC(C)C 34a_200011212901_100011218427 [0,0,0,0,0,2|0,0,2]=4 4772 B10R0.97 CC(O)COCCSC(C)C 7a_200011212901_100011218427 [0,0,0,0,0,2|0,0,2]=4 4773 B10R0.97 CC(O)CSCCC=C(F)F 62a_100011218427_200009816681 [0,0,0,0,0,2|2,0,0]=4 4774 B10R0.97 CC(O)CSCCC=C(F)F 62a_200009816681_100011218427 [0,0,0,0,0,2|2,0,0]=4 4775 B10R0.97 CC(O)CSCCCN(C)C 62a_100011218427_100000757444 [0,0,0,0,0,2|1,0,1]=4 4776 B10R0.97 CC(O)CSCCOC(C)C 62a_100000211751_100011218427 [0,0,0,0,0,2|0,0,2]=4 4777 B10R0.97 CC(O)CSCCOC(C)C 62a_100011218427_100000211751 [0,0,0,0,0,2|0,0,2]=4 4778 B10R0.97 CC(O)CSCCSC(C)C 62a_100000730970_100011218427 [0,0,0,0,0,2|0,0,2]=4 4779 B10R0.97 CC(O)CSCCSC(C)C 62a_100011218427_100000730970 [0,0,0,0,0,2|0,0,2]=4 4780 B10R0.97 C[C@@H](O)CSCCC=C(F)F 62a_100009817552_200009816681 [0,0,0,0,0,2|2,0,0]=4 4781 B10R0.97 C[C@@H](O)CSCCC=C(F)F 62a_200009816681_100009817552 [0,0,0,0,0,2|2,0,0]=4 4782 B10R0.97 C[C@@H](O)CSCCCN(C)C 62a_100009817552_100000757444 [0,0,0,0,0,2|1,0,1]=4