0 B10R1.128 CC(=O)N1CCCC1(C)C 11a_100000761399_100015343762 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.128 CC(=O)N1CCCC1(C)C 1626a_100000761399_100015343762 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.128 CC(=O)N1CCCC1(C)C 240690a_100000761399_100015343762 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.128 CC(=O)N1CCCC1(C)C 527a_100000761399_100103153847 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.128 CC(=O)N1CCSC1(C)C 11a_100011217261_100015343762 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.128 CC(=O)N1CCSC1(C)C 1626a_100011217261_100015343762 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.128 CC(=O)N1CCSC1(C)C 240690a_100011217261_100015343762 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.128 CC(=O)N1CCSC1(C)C 527a_100011217261_100103153847 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.128 CC(=O)N1COCC1(C)C 1626a_100000043020_100015343762 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.128 CC(=O)N1COCC1(C)C 240690a_100000043020_100015343762 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.128 CC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_200000210301 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.128 C[N+]1(CCC[C@H]1C(=O)[13CH3])C 1458a_100016991750_200025704644 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.24 CC1(CCCC1O[13CH3])C 34a_100000726220_200025704644 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.24 CC1(CCCC1O[13CH3])C 7a_100000726220_200025704644 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.24 CNC1CCCC1(C)C 269862a_106832991636_100000065263 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.24 COC1CCCC1(C)C 34a_100000726220_200000210301 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.24 COC1CCCC1(C)C 7a_100000726220_200000210301 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [1,0,0,0,0,0|1,0,1]=3 25 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [1,0,0,0,0,0|1,0,1]=3 27 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,0,0,0,0,0|0,0,2]=3 28 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [1,0,0,0,0,0|1,0,2]=4 31 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,0,0,0,0,0|0,0,2]=3 33 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [1,0,0,0,0,0|1,0,2]=4 34 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [1,0,0,0,0,0|1,0,2]=4 35 B11R1.227 C=CC(=O)N1CCCC1(C)C 1626a_100000761399_100000185746 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.227 C=CC(=O)N1CCCC1(C)C 240690a_100000761399_200121576911 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.227 CC1(CCCN1C(=O)CO)C 240690a_100000761399_100000210174 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.227 CC1(CCCN1C(=O)CO)C 527a_100000761399_100000210174 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.227 CCC(=O)N1CCCC1(C)C 11a_100000761399_100000210414 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.227 CCC(=O)N1CCCC1(C)C 1626a_100000761399_100000210414 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.227 CCC(=O)N1CCCC1(C)C 240690a_100000761399_100000210414 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.227 CCC(=O)N1CCCC1(C)C 527a_100000761399_100000210414 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.227 CCC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_100000210202 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.227 CNC(=O)N1CCCC1(C)C 2708a_100102657272_100000761399 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.227 CNC(=O)N1CCCC1(C)C 273464a_100102657272_100000761399 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.227 CNC(=O)[C@@H]1CCC[N+]1(C)C 240690a_100102657272_100016991750 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.227 CNC(=O)[C@@H]1CCC[N+]1(C)C 527a_100102657272_100016991750 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.227 C[N+]1(CCC[C@H]1C(=O)CF)C 1458a_100016991750_100015361967 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.315 CC(=O)N1CCC(C1(C)C)C 11a_102516457003_100015343762 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.315 CC(=O)N1CCC(C1(C)C)C 1626a_102516457003_100015343762 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.315 CC(=O)N1CCC(C1(C)C)C 240690a_102516457003_100015343762 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.315 CC(=O)N1CCC(C1(C)C)C 527a_102516457003_100103153847 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.395 CC(=O)N1CCC[C@@]1(C)CO 240690a_100016195882_100015343762 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.1040 CC(=O)N1C(CCC1(C)C)C 11a_100015204717_100015343762 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.1040 CC(=O)N1C(CCC1(C)C)C 1626a_100015204717_100015343762 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.1040 CC(=O)N1C(CCC1(C)C)C 240690a_100015204717_100015343762 [0,1,0,0,0,0|3,0,0]=4 57 B9R0.32 CCC(C)(C)N(C)C(=O)C 11a_200000755171_100015343762 [0,0,1,0,0,0|3,0,0]=4 58 B9R0.32 CCC(C)(C)N(C)C(=O)C 1626a_200000755171_100015343762 [0,0,1,0,0,0|3,0,0]=4 59 B9R0.32 CCC(C)(C)N(C)C(=O)C 240690a_200000755171_100015343762 [0,0,1,0,0,0|3,0,0]=4 60 B9R0.32 CCC(C)(C)N(C)C(=O)C 527a_200000755171_100103153847 [0,0,1,0,0,0|3,0,0]=4 61 B9R0.33 CCCN(C(=O)C)C(C)C 11a_106256033942_100015343762 [0,0,1,0,0,0|3,0,0]=4 62 B9R0.33 CCCN(C(=O)C)C(C)C 1626a_106256033942_100015343762 [0,0,1,0,0,0|3,0,0]=4 63 B9R0.33 CCCN(C(=O)C)C(C)C 240690a_106256033942_100015343762 [0,0,1,0,0,0|3,0,0]=4 64 B9R0.33 CCCN(C(=O)C)C(C)C 527a_106256033942_100103153847 [0,0,1,0,0,0|3,0,0]=4 65 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [0,0,1,0,0,0|2,0,1]=4 66 B9R0.33 CCOC(C(=O)N)C(C)C 34a_100121572206_100000230017 [0,0,1,0,0,0|3,0,0]=4 67 B9R0.33 CCSC(C(=O)C)C(C)C 1458a_100000750736_200000210301 [0,0,1,0,0,0|3,0,0]=4 68 B9R0.33 CCSC(C(=O)N)C(C)C 62a_100000210202_100000230017 [0,0,1,0,0,0|3,0,0]=4 69 B9R0.33 CCSC(C(=O)N)C(C)C 62a_100000230017_100000210202 [0,0,1,0,0,0|3,0,0]=4 70 B9R0.33 CCSC(C(=O)[13CH3])C(C)C 1458a_100000750736_200025704644 [0,0,1,0,0,0|3,0,0]=4 71 B9R0.55 C=C(C)CCOCC(=O)[O-] 34a_100000764851_100020667443 [0,0,1,0,0,0|2,0,1]=4 72 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100000730704_100020667443 [0,0,1,0,0,0|2,0,1]=4 73 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100020667443_100000730704 [0,0,1,0,0,0|2,0,1]=4 74 B9R0.55 CC(=CCNCC(=O)[O-])C 34a_100000718196_100020667443 [0,0,1,0,0,0|2,0,1]=4 75 B9R0.55 CC(=CCOCC(=O)[O-])C 34a_100000753907_100020667443 [0,0,1,0,0,0|2,0,1]=4 76 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100000761012_100020667443 [0,0,1,0,0,0|2,0,1]=4 77 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100020667443_100000761012 [0,0,1,0,0,0|2,0,1]=4 78 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,0,1,0,0,0|3,0,0]=4 79 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [0,0,1,0,0,0|2,0,0]=3 80 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [0,0,1,0,0,0|2,0,0]=3 81 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [0,0,1,0,0,0|1,0,1]=3 82 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [0,0,1,0,0,0|3,0,0]=4 83 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [0,0,1,0,0,0|3,0,0]=4 84 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [0,0,1,0,0,0|3,0,0]=4 85 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [0,0,1,0,0,0|3,0,0]=4 86 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [0,0,1,0,0,0|3,0,0]=4 87 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [0,0,1,0,0,0|3,0,0]=4 88 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,0,1,0,0,0|3,0,0]=4 89 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [0,0,1,0,0,0|3,0,0]=4 90 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [0,0,1,0,0,0|3,0,0]=4 91 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [0,0,1,0,0,0|3,0,0]=4 92 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [0,0,1,0,0,0|3,0,0]=4 93 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [0,0,1,0,0,0|3,0,0]=4 94 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [0,0,1,0,0,0|3,0,0]=4 95 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [0,0,1,0,0,0|3,0,0]=4 96 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [0,0,1,0,0,0|3,0,0]=4 97 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [0,0,1,0,0,0|3,0,0]=4 98 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [0,0,1,0,0,0|3,0,0]=4 99 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [0,0,1,0,0,0|3,0,0]=4 100 B9R0.55 CC(=O)NCCCN(C)C 240690a_102531767803_100015343762 [0,0,1,0,0,0|2,0,1]=4 101 B9R0.55 CC(=O)NCCCN(C)C 527a_102531767803_100103153847 [0,0,1,0,0,0|2,0,1]=4 102 B9R0.55 CC(=O)OCCCN(C)C 269982a_100102631434_100000042594 [0,0,1,0,0,0|2,0,1]=4 103 B9R0.55 CC(=O)SCCCN(C)C 2230a_100102631434_100000038929 [0,0,1,0,0,0|2,0,1]=4 104 B9R0.55 CC(=O)SCCCN(C)C 269982a_100102631434_100000038929 [0,0,1,0,0,0|2,0,1]=4 105 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [0,0,1,0,0,0|3,0,0]=4 106 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [0,0,1,0,0,0|2,0,0]=3 107 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [0,0,1,0,0,0|3,0,0]=4 108 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,0,1,0,0,0|2,0,1]=4 109 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [0,0,1,0,0,0|3,0,0]=4 110 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [0,0,1,0,0,0|3,0,0]=4 111 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [0,0,1,0,0,0|2,0,0]=3 112 B9R0.55 CC(C)CCOC[N+](=O)[O-] 34a_100000210254_100000761209 [0,0,1,0,0,0|3,0,0]=4 113 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [0,0,1,0,0,0|3,0,0]=4 114 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [0,0,1,0,0,0|3,0,0]=4 115 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [0,0,1,0,0,0|2,0,0]=3 116 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [0,0,1,0,0,0|2,0,0]=3 117 B9R0.55 CC(C)CCSC[N+](=O)[O-] 62a_100000210312_100000761209 [0,0,1,0,0,0|3,0,0]=4 118 B9R0.55 CC(C)CNCCC(=O)N 2230a_100000210953_100000744528 [0,0,1,0,0,0|3,0,0]=4 119 B9R0.55 CC(C)CNCCC(=O)N 34a_100000210953_100000731001 [0,0,1,0,0,0|3,0,0]=4 120 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [0,0,1,0,0,0|3,0,0]=4 121 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [0,0,1,0,0,0|3,0,0]=4 122 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [0,0,1,0,0,0|3,0,0]=4 123 B9R0.55 CC(C)CSCCC(=O)N 62a_100000210624_100000744528 [0,0,1,0,0,0|3,0,0]=4 124 B9R0.55 CC(C)CSCCC(=O)N 62a_100000744528_100000210760 [0,0,1,0,0,0|3,0,0]=4 125 B9R0.55 CC(C)NCCCC(=O)N 34a_100000739312_100000210206 [0,0,1,0,0,0|3,0,0]=4 126 B9R0.55 CC(C)NCCCC(=O)N 34a_100138425928_100102525003 [0,0,1,0,0,0|3,0,0]=4 127 B9R0.55 CC(C)OCCCC(=O)N 34a_100000212225_100102525003 [0,0,1,0,0,0|3,0,0]=4 128 B9R0.55 CC(C)OCCC[N+](=O)[O-] 34a_200000037920_100000210206 [0,0,1,0,0,0|3,0,0]=4 129 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100000709892_100020667443 [0,0,1,0,0,0|3,0,0]=4 130 B9R0.55 CC(C)OCSCC(=O)[O-] 62a_100020667443_100000709892 [0,0,1,0,0,0|3,0,0]=4 131 B9R0.55 CC(C)SCCCC(=O)N 62a_100000210206_100102525003 [0,0,1,0,0,0|3,0,0]=4 132 B9R0.55 CC(C)SCCCC(=O)N 62a_100102525003_100000210206 [0,0,1,0,0,0|3,0,0]=4 133 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100012276601_100020667443 [0,0,1,0,0,0|3,0,0]=4 134 B9R0.55 CC(O)CCSCC(=O)[O-] 62a_100020667443_100012276601 [0,0,1,0,0,0|3,0,0]=4 135 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,0,1,0,0,0|1,0,2]=4 136 B9R0.55 CN(C)CCOCC(=O)N 2230a_100102631434_100000076697 [0,0,1,0,0,0|2,0,1]=4 137 B9R0.55 CN(C)CCOCC(=O)N 269982a_100102631434_100000076697 [0,0,1,0,0,0|2,0,1]=4 138 B9R0.55 CN(C)CCSCC(=O)N 62a_100000747473_100000755713 [0,0,1,0,0,0|2,0,1]=4 139 B9R0.55 CN(C)CCSCC(=O)[O-] 62a_100020667443_100000755713 [0,0,1,0,0,0|1,0,1]=3 140 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [0,0,1,0,0,0|3,0,0]=4 141 B9R0.58 CCCC(C)(O)CC(=O)C 1458a_100011667670_200000210301 [0,0,1,0,0,0|3,0,0]=4 142 B9R0.58 CCCC(C)(O)CC(=O)[13CH3] 1458a_100011667670_200025704644 [0,0,1,0,0,0|3,0,0]=4 143 B9R0.58 CCNC(C)(C)CC(=O)N 2230a_100000763158_100000210202 [0,0,1,0,0,0|3,0,0]=4 144 B9R0.58 CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210202 [0,0,1,0,0,0|2,0,1]=4 145 B9R0.58 CCOC(C)(C)CC(=O)C 7a_100000210262_100000210202 [0,0,1,0,0,0|3,0,0]=4 146 B9R0.58 CCO[Si](C)(C)CC(=O)C 1458a_100000070787_200000065227 [0,0,1,0,0,0|3,0,0]=4 147 B9R0.72 CC(C)(C)[C@@H](N[13CH3])C(=O)O 269956a_100000753415_200025704644 [0,0,1,0,0,0|2,0,1]=4 148 B9R0.72 CC(C)(C)[C@H](N[13CH3])C(=O)N 2230a_100000765447_200025704644 [0,0,1,0,0,0|3,0,0]=4 149 B9R0.72 CC(C)(C)[C@H](N[13CH3])C(=O)N 34a_100000765447_200025704644 [0,0,1,0,0,0|3,0,0]=4 150 B9R0.72 CCN(C(=O)C)C(C)(C)C 11a_100011200764_100015343762 [0,0,1,0,0,0|3,0,0]=4 151 B9R0.72 CCN(C(=O)C)C(C)(C)C 1626a_100011200764_100015343762 [0,0,1,0,0,0|3,0,0]=4 152 B9R0.72 CCN(C(=O)C)C(C)(C)C 240690a_100011200764_100015343762 [0,0,1,0,0,0|3,0,0]=4 153 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)C 269956a_100000753415_200000210301 [0,0,1,0,0,0|2,0,1]=4 154 B9R0.72 CN[C@H](C(=O)N)C(C)(C)C 2230a_100000765447_200000210301 [0,0,1,0,0,0|3,0,0]=4 155 B9R0.72 CN[C@H](C(=O)N)C(C)(C)C 34a_100000765447_200000210301 [0,0,1,0,0,0|3,0,0]=4 156 B11R2.142 CC(=O)N1CCCC12CC2 11a_100020620911_100015343762 [0,0,0,1,0,0|3,0,0]=4 157 B11R2.142 CC(=O)N1CCCC12CC2 1626a_100020620911_100015343762 [0,0,0,1,0,0|3,0,0]=4 158 B11R2.142 CC(=O)N1CCCC12CC2 240690a_100020620911_100015343762 [0,0,0,1,0,0|3,0,0]=4 159 B11R2.142 CC(=O)N1CCCC12CC2 527a_100020620911_100103153847 [0,0,0,1,0,0|3,0,0]=4 160 B11R1.177 CC(=O)N1CCOCC1(C)C 11a_100000724681_100015343762 [0,0,0,0,0,1|3,0,0]=4 161 B11R1.177 CC(=O)N1CCOCC1(C)C 1626a_100000724681_100015343762 [0,0,0,0,0,1|3,0,0]=4 162 B11R1.177 CC(=O)N1CCOCC1(C)C 240690a_100000724681_100015343762 [0,0,0,0,0,1|3,0,0]=4 163 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 11a_100015977457_100015343762 [0,0,0,0,0,1|3,0,0]=4 164 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 1626a_100015977457_100015343762 [0,0,0,0,0,1|3,0,0]=4 165 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 240690a_100015977457_100015343762 [0,0,0,0,0,1|3,0,0]=4 166 B11R1.234 CC(=O)N[C@@H]1CCC[C@@]1(C)O 527a_100015977457_100103153847 [0,0,0,0,0,1|3,0,0]=4 167 B11R1.234 CC1(CCCN1CC(=O)N)C 2230a_100000761399_100000747473 [0,0,0,0,0,1|3,0,0]=4 168 B11R1.234 CC1(CCCN1CC(=O)N)C 269982a_100000761399_100000187820 [0,0,0,0,0,1|3,0,0]=4 169 B11R1.234 CC1(CCCN1CC(=O)N)C 34a_100000761399_100000187820 [0,0,0,0,0,1|3,0,0]=4 170 B11R1.234 CC1(CCCN1CC(=O)[O-])C 269982a_100000761399_100020667443 [0,0,0,0,0,1|2,0,0]=3 171 B11R1.234 CC1(CCCN1CC(=O)[O-])C 34a_100000761399_100020667443 [0,0,0,0,0,1|2,0,0]=3 172 B11R1.234 CC1(CCCN1C[N+](=O)[O-])C 269982a_100000761399_100000761209 [0,0,0,0,0,1|3,0,0]=4 173 B11R1.234 CC1(CCCN1C[N+](=O)[O-])C 34a_100000761399_100000761209 [0,0,0,0,0,1|3,0,0]=4 174 B11R1.234 CC1(COCN1CC(=O)[O-])C 269982a_100000043020_100020667443 [0,0,0,0,0,1|3,0,0]=4 175 B11R1.234 CC1(SCCN1CC(=O)[O-])C 269982a_100011217261_100020667443 [0,0,0,0,0,1|3,0,0]=4 176 B11R1.234 CC1(SCCN1CC(=O)[O-])C 34a_100011217261_100020667443 [0,0,0,0,0,1|3,0,0]=4 177 B11R1.730 CC(=O)C1CCOC(C1)(C)C 1458a_100000070787_100010191092 [0,0,0,0,0,1|3,0,0]=4 178 B11R1.730 CC(=O)N1CCCC(C1)(C)C 11a_100000716857_100015343762 [0,0,0,0,0,1|3,0,0]=4 179 B11R1.730 CC(=O)N1CCCC(C1)(C)C 1626a_100000716857_100015343762 [0,0,0,0,0,1|3,0,0]=4 180 B11R1.730 CC(=O)N1CCCC(C1)(C)C 240690a_100000716857_100015343762 [0,0,0,0,0,1|3,0,0]=4 181 B11R1.730 CC(=O)N1CCCC(C1)(C)C 527a_100000716857_100103153847 [0,0,0,0,0,1|3,0,0]=4 182 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [1,0,1,0,0,0|1,0,1]=4 183 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [1,0,1,0,0,0|1,0,1]=4 184 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [1,0,1,0,0,0|1,0,1]=4 185 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [1,0,1,0,0,0|1,0,1]=4 186 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [1,0,1,0,0,0|1,0,1]=4 187 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [1,0,1,0,0,0|1,0,1]=4 188 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [1,0,1,0,0,0|1,0,1]=4 189 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [1,0,1,0,0,0|0,0,2]=4 190 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [1,0,1,0,0,0|1,0,1]=4 191 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [1,0,1,0,0,0|1,0,1]=4 192 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [1,0,1,0,0,0|1,0,1]=4 193 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [1,0,1,0,0,0|2,0,0]=4 194 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [1,0,1,0,0,0|2,0,0]=4 195 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,0,1,0,0,0|2,0,0]=4 196 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,0,1,0,0,0|2,0,0]=4 197 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,0,1,0,0,0|2,0,0]=4 198 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [1,0,1,0,0,0|2,0,0]=4 199 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [1,0,1,0,0,0|2,0,0]=4 200 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [1,0,1,0,0,0|2,0,0]=4 201 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [1,0,1,0,0,0|2,0,0]=4 202 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [1,0,1,0,0,0|1,0,1]=4 203 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [1,0,1,0,0,0|1,0,1]=4 204 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,0,1,0,0,0|0,0,2]=4 205 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [1,0,1,0,0,0|1,0,1]=4 206 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [1,0,1,0,0,0|1,0,1]=4 207 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,0,1,0,0,0|0,0,2]=4 208 B8R0.18 CCC(C(=O)C)N(C)C 1458a_100000689100_200000210301 [1,0,1,0,0,0|1,0,1]=4 209 B8R0.18 CCC(C(=O)N)N(C)C 2230a_100102631434_100000750255 [1,0,1,0,0,0|1,0,1]=4 210 B8R0.18 CCC(C(=O)N)N(C)C 269982a_100102631434_100000750255 [1,0,1,0,0,0|1,0,1]=4 211 B8R0.18 CCC(C(=O)[13CH3])N(C)C 1458a_100000689100_200025704644 [1,0,1,0,0,0|1,0,1]=4 212 B8R0.18 CC[C@@H](C(=O)N)N(C)C 2230a_103436537554_200000210301 [1,0,1,0,0,0|1,0,1]=4 213 B8R0.18 CC[C@@H](C(=O)N)N(C)C 269982a_103436537554_200000210301 [1,0,1,0,0,0|1,0,1]=4 214 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 2230a_103436537554_200025704644 [1,0,1,0,0,0|1,0,1]=4 215 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 269982a_103436537554_200025704644 [1,0,1,0,0,0|1,0,1]=4 216 B8R0.7 C=CCCCCN(C)C 2230a_100012000471_200000210301 [1,0,1,0,0,0|1,0,1]=4 217 B8R0.7 C=CCCCCN(C)C 2230a_100102631434_100011215482 [1,0,1,0,0,0|1,0,1]=4 218 B8R0.7 C=CCCCCN(C)C 269982a_100012000471_200000210301 [1,0,1,0,0,0|1,0,1]=4 219 B8R0.7 C=CCCCCN(C)C 269982a_100102631434_100011215482 [1,0,1,0,0,0|1,0,1]=4 220 B8R0.7 C=CCCCCN(C)[13CH3] 2230a_100012000471_200025704644 [1,0,1,0,0,0|1,0,1]=4 221 B8R0.7 C=CCCCCN(C)[13CH3] 269982a_100012000471_200025704644 [1,0,1,0,0,0|1,0,1]=4 222 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,0,1,0,0,0|2,0,0]=4 223 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,0,1,0,0,0|2,0,0]=4 224 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [1,0,1,0,0,0|2,0,0]=4 225 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [1,0,1,0,0,0|2,0,0]=4 226 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [1,0,1,0,0,0|2,0,0]=4 227 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [1,0,1,0,0,0|2,0,0]=4 228 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [1,0,1,0,0,0|2,0,0]=4 229 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [1,0,1,0,0,0|2,0,0]=4 230 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [1,0,1,0,0,0|2,0,0]=4 231 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,0,1,0,0,0|2,0,0]=4 232 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,0,1,0,0,0|2,0,0]=4 233 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,0,1,0,0,0|2,0,0]=4 234 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,0,1,0,0,0|2,0,0]=4 235 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,0,1,0,0,0|2,0,0]=4 236 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,0,1,0,0,0|2,0,0]=4 237 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [1,0,1,0,0,0|0,0,1]=3 238 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [1,0,1,0,0,0|0,0,1]=3 239 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [1,0,1,0,0,0|1,0,1]=4 240 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,0,1,0,0,0|1,0,1]=4 241 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,0,1,0,0,0|1,0,1]=4 242 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,0,1,0,0,0|1,0,1]=4 243 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,0,1,0,0,0|2,0,0]=4 244 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,0,1,0,0,0|2,0,0]=4 245 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,0,1,0,0,0|2,0,0]=4 246 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,0,1,0,0,0|2,0,0]=4 247 B8R0.7 COCCCC[N+](=O)[O-] 34a_200015379883_200000210301 [1,0,1,0,0,0|2,0,0]=4 248 B8R0.7 COCCCC[N+](=O)[O-] 7a_200015379883_200000210301 [1,0,1,0,0,0|2,0,0]=4 249 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [1,0,1,0,0,0|2,0,0]=4 250 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [1,0,1,0,0,0|2,0,0]=4 251 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [1,0,1,0,0,0|2,0,0]=4 252 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,0,1,0,0,0|2,0,0]=4 253 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,0,1,0,0,0|2,0,0]=4 254 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [1,0,1,0,0,0|2,0,0]=4 255 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [1,0,1,0,0,0|2,0,0]=4 256 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [1,0,1,0,0,0|2,0,0]=4 257 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,0,1,0,0,0|1,0,1]=4 258 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,0,1,0,0,0|2,0,0]=4 259 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,0,1,0,0,0|2,0,0]=4 260 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 34a_200015379883_200025704644 [1,0,1,0,0,0|2,0,0]=4 261 B8R0.7 [13CH3]OCCCC[N+](=O)[O-] 7a_200015379883_200025704644 [1,0,1,0,0,0|2,0,0]=4 262 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [1,0,1,0,0,0|2,0,0]=4 263 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,0,1,0,0,0|2,0,0]=4 264 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,0,1,0,0,0|2,0,0]=4 265 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,0,1,0,0,0|2,0,0]=4 266 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [1,0,1,0,0,0|1,0,1]=4 267 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [1,0,1,0,0,0|1,0,1]=4 268 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [1,0,1,0,0,0|1,0,1]=4 269 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [1,0,1,0,0,0|0,0,2]=4 270 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [1,0,1,0,0,0|0,0,1]=3 271 B8R0.5 CCCN(C)C[N+](=O)[O-] 269982a_100000747261_100000761209 [1,0,1,0,0,0|1,0,1]=4 272 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [1,0,1,0,0,0|1,0,1]=4 273 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [2,0,0,0,0,0|2,0,0]=4 274 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [2,0,0,0,0,0|2,0,0]=4 280 B10R0.17 CCCCC(C(=O)N)N(C)C 2230a_100102631434_100000748834 [0,1,1,0,0,0|1,0,1]=4 281 B10R0.17 CCCCC(C(=O)N)N(C)C 269982a_100102631434_100000748834 [0,1,1,0,0,0|1,0,1]=4 282 B10R0.17 CCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210207 [0,1,1,0,0,0|1,0,1]=4 283 B10R0.17 CCCOC(C(=O)N)C(C)C 34a_100000210258_100000230017 [0,1,1,0,0,0|2,0,0]=4 284 B10R0.17 CCCSC(C(=O)N)C(C)C 62a_100000210303_100000230017 [0,1,1,0,0,0|2,0,0]=4 285 B10R0.17 CCCSC(C(=O)N)C(C)C 62a_100000230017_100000210303 [0,1,1,0,0,0|2,0,0]=4 286 B10R0.30 CCCC(C(=O)OC)N(C)C 2230a_100102631434_200009843822 [0,1,1,0,0,0|0,0,2]=4 287 B10R0.30 CCCC(C(=O)OC)N(C)C 269982a_100102631434_200009843822 [0,1,1,0,0,0|0,0,2]=4 288 B10R0.118 CCC(C)C(C(=O)O)N(C)C 269956a_100000694001_200000210301 [0,1,1,0,0,0|0,0,2]=4 289 B10R0.118 CCC(C)C(C(=O)O)N(C)[13CH3] 269956a_100000694001_200025704644 [0,1,1,0,0,0|0,0,2]=4 290 B10R0.15 CC(=O)CCSC[N+](C)(C)C 62a_100000053229_200000036245 [0,1,1,0,0,0|2,0,0]=4 291 B10R0.15 CC(=O)CCSC[N+](C)(C)C 62a_200000036245_100000053229 [0,1,1,0,0,0|2,0,0]=4 292 B10R0.15 CC(=O)COCC[N+](C)(C)C 34a_100000211253_100000085578 [0,1,1,0,0,0|2,0,0]=4 293 B10R0.15 CC(C)(C)CCSCC(=O)[O-] 62a_100000755188_100020667443 [0,1,1,0,0,0|2,0,0]=4 294 B10R0.15 CC(C)(C)CCSCC(=O)[O-] 62a_100020667443_100000755188 [0,1,1,0,0,0|2,0,0]=4 295 B10R0.15 CC(C)(O)CCSCC(=O)[O-] 62a_100000702414_100020667443 [0,1,1,0,0,0|2,0,0]=4 296 B10R0.15 CC(C)(O)CCSCC(=O)[O-] 62a_100020667443_100000702414 [0,1,1,0,0,0|2,0,0]=4 297 B10R0.15 C[N+](C)(C)CCNCC(=O)O 269956a_100016091260_100000085578 [0,1,1,0,0,0|1,0,1]=4 298 B10R0.15 C[N+](C)(C)CCOCC(=O)N 7a_200020618287_100000187820 [0,1,1,0,0,0|2,0,0]=4 299 B10R0.15 C[N+](C)(C)CCSCC(=O)N 62a_100000085578_100000747473 [0,1,1,0,0,0|2,0,0]=4 300 B10R0.15 C[N+](C)(C)CCSCC(=O)N 62a_100000747473_100000085578 [0,1,1,0,0,0|2,0,0]=4 301 B10R0.15 C[N+](C)(C)CCSCC(=O)[O-] 62a_100000085578_100020667443 [0,1,1,0,0,0|1,0,0]=3 302 B10R0.15 C[N+](C)(C)CCSCC(=O)[O-] 62a_100020667443_100000085578 [0,1,1,0,0,0|1,0,0]=3 303 B10R0.15 C[N+](C)(C)CCSC[N+](=O)[O-] 62a_100000085578_100000761209 [0,1,1,0,0,0|2,0,0]=4 304 B10R0.15 C[N+](C)(C)CSCCC(=O)N 62a_100000744528_200000036245 [0,1,1,0,0,0|2,0,0]=4 305 B10R0.15 C[N+](C)(C)CSCCC(=O)N 62a_200000036245_100000744528 [0,1,1,0,0,0|2,0,0]=4 306 B10R0.15 C[Si](C)(C)CCSCC(=O)[O-] 62a_100020667443_200000733723 [0,1,1,0,0,0|2,0,0]=4 307 B10R0.15 C[Si](C)(C)CCSCC(=O)[O-] 62a_200000733723_100020667443 [0,1,1,0,0,0|2,0,0]=4 308 B10R0.55 C#CC(=O)CCCCC(C)C 1458a_100000211873_100011216152 [0,1,1,0,0,0|2,0,0]=4 309 B10R0.55 C=CC(=O)CCCCC(C)C 1458a_100000185746_100011216152 [0,1,1,0,0,0|2,0,0]=4 310 B10R0.55 CC(C)CCCCC(=O)CF 1458a_100011933920_100015361967 [0,1,1,0,0,0|2,0,0]=4 311 B10R0.55 CC(C)CCCCC(=O)CO 1458a_100000210174_100011216152 [0,1,1,0,0,0|1,0,1]=4 312 B10R0.55 CC(CO)CCNCC(=O)[O-] 34a_106354213184_100020667443 [0,1,1,0,0,0|2,0,0]=4 313 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100000210414_100011216152 [0,1,1,0,0,0|2,0,0]=4 314 B10R0.55 CCC(=O)CCCCC(C)C 1458a_100011933920_100000210202 [0,1,1,0,0,0|2,0,0]=4 315 B10R0.55 CCN(C)CCCCC(=O)C 269982a_100000225621_100000735457 [0,1,1,0,0,0|1,0,1]=4 316 B10R0.55 CNC(=O)CCCCC(C)C 11a_106832991635_100011933920 [0,1,1,0,0,0|2,0,0]=4 317 B10R0.55 CNC(=O)CCCCC(C)C 1626a_100102657272_100011933920 [0,1,1,0,0,0|2,0,0]=4 318 B10R0.55 CNC(=O)CCCCC(C)C 240690a_100102657272_100011933920 [0,1,1,0,0,0|2,0,0]=4 319 B10R0.55 CNC(=O)CCCCC(C)C 527a_100102657272_100011933920 [0,1,1,0,0,0|2,0,0]=4 320 B10R0.55 CNC(=O)CCCCN(C)C 11a_106832991635_100000751710 [0,1,1,0,0,0|1,0,1]=4 321 B10R0.55 CNC(=O)CCCCN(C)C 240690a_100102657272_100000751710 [0,1,1,0,0,0|1,0,1]=4 322 B10R0.55 CNC(=O)CCCCN(C)C 527a_100102657272_100000751710 [0,1,1,0,0,0|1,0,1]=4 323 B10R0.55 COC(=O)CCCCN(C)C 2230a_100102631434_100000204269 [0,1,1,0,0,0|0,0,2]=4 324 B10R0.55 COC(=O)CCCCN(C)C 269982a_100102631434_100000204269 [0,1,1,0,0,0|0,0,2]=4 325 B10R0.96 CC(C)CC(C)OCC(=O)[O-] 34a_100000211805_100020667443 [0,1,1,0,0,0|2,0,0]=4 326 B10R0.96 CC(C)CC(C)SCC(=O)[O-] 62a_100000731052_100020667443 [0,1,1,0,0,0|2,0,0]=4 327 B10R0.96 CC(C)CC(C)SCC(=O)[O-] 62a_100020667443_100000731052 [0,1,1,0,0,0|2,0,0]=4 328 B10R0.96 CC(C)CCC(=O)CC(=O)[O-] 1458a_100000181311_100020667443 [0,1,1,0,0,0|1,0,1]=4 329 B10R0.96 CC(C)CCN(C)CC(=O)[O-] 269982a_100000742789_100020667443 [0,1,1,0,0,0|2,0,0]=4 330 B10R0.96 CC(CN(C)C)SCC(=O)[O-] 62a_100020606517_100020667443 [0,1,1,0,0,0|1,0,1]=4 331 B10R0.96 CC(CN(C)C)SCC(=O)[O-] 62a_100020667443_100020606517 [0,1,1,0,0,0|1,0,1]=4 332 B10R0.96 CN(C)CCN(C)CC(=O)[O-] 269982a_100000225618_100020667443 [0,1,1,0,0,0|1,0,1]=4 333 B10R0.96 C[S+](C)CCC(=O)CC(=O)[O-] 1458a_100009452791_100020667443 [0,1,1,0,0,0|1,0,1]=4 334 B10R0.98 CC(C)C(O)CNCC(=O)[O-] 34a_100000759067_100020667443 [0,1,1,0,0,0|2,0,0]=4 335 B10R0.98 CC(C)CCOC(F)C(=O)[O-] 34a_100000210254_100020610796 [0,1,1,0,0,0|2,0,0]=4 336 B10R0.98 CC(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210626 [0,1,1,0,0,0|2,0,0]=4 337 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100000210312_100020610796 [0,1,1,0,0,0|2,0,0]=4 338 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100020610796_100000210312 [0,1,1,0,0,0|2,0,0]=4 339 B10R0.98 CC(C)[C@@H](N)COCC(=O)[O-] 34a_100011830312_100020667443 [0,1,1,0,0,0|2,0,0]=4 340 B10R0.98 CN(C)CCSC(F)C(=O)[O-] 62a_100020610796_100000755713 [0,1,1,0,0,0|1,0,1]=4 341 B10R0.98 C[C@H](OCCN(C)C)C(=O)[O-] 7a_217856618621_100000755713 [0,1,1,0,0,0|1,0,1]=4 342 B10R0.122 CCCC[Si](C)(C)CC(=O)C 1458a_100000070787_200000073895 [0,1,1,0,0,0|2,0,0]=4 343 B10R0.122 CCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210303 [0,1,1,0,0,0|2,0,0]=4 344 B10R0.122 CCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210207 [0,1,1,0,0,0|1,0,1]=4 345 B10R0.122 CCCOC(C)(C)CC(=O)C 7a_100000210262_100000210303 [0,1,1,0,0,0|2,0,0]=4 346 B10R1.133 CC1(CCCN1CC=O)C 2230a_100000761399_200015260668 [1,1,0,0,0,0|2,0,0]=4 347 B10R1.133 CC1(CCCN1CC=O)C 269982a_100000761399_200015260668 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.133 CC1(CCCN1CC=O)C 34a_100000761399_200009817547 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [1,1,0,0,0,0|1,0,1]=4 350 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [1,1,0,0,0,0|1,0,1]=4 351 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [1,1,0,0,0,0|1,0,1]=4 352 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [1,1,0,0,0,0|0,0,2]=4 353 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [1,1,0,0,0,0|0,0,2]=4 354 B10R1.59 CC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_200000210301 [1,1,0,0,0,0|1,0,1]=4 355 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200000210301 [1,1,0,0,0,0|1,0,1]=4 356 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200000210301 [1,1,0,0,0,0|1,0,1]=4 357 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)[13CH3])O 1458a_100015191551_200025704644 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200000210301 [1,1,0,0,0,0|1,0,1]=4 359 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200000210301 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200000210301 [1,1,0,0,0,0|1,0,1]=4 361 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [1,1,0,0,0,0|0,0,2]=4 362 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [1,1,0,0,0,0|0,0,2]=4 363 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200025704644 [1,1,0,0,0,0|1,0,1]=4 364 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200025704644 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200025704644 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200025704644 [1,1,0,0,0,0|1,0,1]=4 367 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200025704644 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [1,1,0,0,0,0|0,0,2]=4 369 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [1,1,0,0,0,0|0,0,2]=4 370 B10R1.149 CC1CCCC1C(=O)CF 1458a_100000690547_100015361967 [1,1,0,0,0,0|2,0,0]=4 371 B10R1.149 CCC(=O)C1CCCC1C 1458a_100000690547_100000210202 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.149 CCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210202 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.149 CN1CCC[C@H]1C(=O)CF 1458a_100009816429_100015361967 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.149 CNC(=O)C1CCCC1C 11a_106832991635_100000690547 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.149 CNC(=O)C1CCCC1C 1626a_100102657272_100000690547 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.149 CNC(=O)C1CCCC1C 240690a_100102657272_100000690547 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.149 CNC(=O)C1CCCC1C 527a_100102657272_100000690547 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.149 CNC(=O)[C@@H]1CCCN1C 11a_106832991635_100009816429 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.149 CNC(=O)[C@@H]1CCCN1C 2230a_100015185040_200000210301 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.149 CNC(=O)[C@@H]1CCCN1C 240690a_100102657272_100009816429 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.149 CNC(=O)[C@@H]1CCCN1C 269982a_100015185040_200000210301 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.149 CNC(=O)[C@@H]1CCCN1C 34a_100015185040_200000210301 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.149 CNC(=O)[C@@H]1CCCN1C 527a_100102657272_100009816429 [1,1,0,0,0,0|1,0,1]=4 384 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100015185040_200025704644 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100015185040_200025704644 [1,1,0,0,0,0|1,0,1]=4 386 B10R1.149 CNC(=O)[C@@H]1CCCN1[13CH3] 34a_100015185040_200025704644 [1,1,0,0,0,0|1,0,1]=4 387 B10R1.149 COC(=O)[C@@H]1CCCN1C 2230a_100000752040_200000210301 [1,1,0,0,0,0|0,0,2]=4 388 B10R1.149 COC(=O)[C@@H]1CCCN1C 269982a_100000752040_200000210301 [1,1,0,0,0,0|0,0,2]=4 389 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000752040_200025704644 [1,1,0,0,0,0|0,0,2]=4 390 B10R1.149 COC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000752040_200025704644 [1,1,0,0,0,0|0,0,2]=4 391 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [1,1,0,0,0,0|0,0,2]=4 392 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [1,1,0,0,0,0|0,0,2]=4 393 B12R1.518 CC1(CCCN1C(F)C(=O)[O-])C 34a_100000761399_100020610796 [0,1,0,0,0,1|2,0,0]=4 394 B12R1.679 C[C@]1(CCCN1CC(=O)[O-])CO 269982a_100016195882_100020667443 [0,1,0,0,0,1|2,0,0]=4 395 B12R1.679 C[C@]1(CCCN1CC(=O)[O-])CO 34a_100016195882_100020667443 [0,1,0,0,0,1|2,0,0]=4 396 B12R1.898 CC1CCN(C1(C)C)CC(=O)[O-] 269982a_102516457003_100020667443 [0,1,0,0,0,1|2,0,0]=4 397 B12R1.898 CC1CCN(C1(C)C)CC(=O)[O-] 34a_102516457003_100020667443 [0,1,0,0,0,1|2,0,0]=4 398 B12R1.3805 CC1CCC(N1CC(=O)[O-])(C)C 269982a_100015204717_100020667443 [0,1,0,0,0,1|2,0,0]=4 399 B12R1.3805 CC1CCC(N1CC(=O)[O-])(C)C 34a_100015204717_100020667443 [0,1,0,0,0,1|2,0,0]=4 400 B12R1.317 C#CCC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_100000184674 [0,2,0,0,0,0|1,0,0]=3 401 B12R1.317 C=CCC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_100000210623 [0,2,0,0,0,0|1,0,0]=3 402 B12R1.317 CCCC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_100000210303 [0,2,0,0,0,0|1,0,0]=3 403 B12R1.317 CCNC(=O)[C@@H]1CCC[N+]1(C)C 240690a_100015525214_100016991750 [0,2,0,0,0,0|1,0,0]=3 404 B12R1.317 CCNC(=O)[C@@H]1CCC[N+]1(C)C 527a_100015525214_100016991750 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.317 CNNC(=O)[C@@H]1CCC[N+]1(C)C 22a_100016993582_100016991750 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.317 C[N+]1(CCC[C@H]1C(=O)CC#N)C 1458a_100016991750_100011214920 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.317 C[N+]1(CCC[C@H]1C(=O)CCF)C 1458a_100016991750_100011217306 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.317 C[N+]1(CCC[C@H]1C(=O)CCO)C 1458a_100016991750_100000211926 [0,2,0,0,0,0|0,0,1]=3 409 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,0,1,1,0,0|2,0,0]=4 410 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,0,1,1,0,0|1,0,1]=4 411 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,0,1,1,0,0|2,0,0]=4 412 B10R1.61 CN(C)C1CCCCC1=O 269982a_100102631434_100000204591 [0,0,1,1,0,0|1,0,1]=4 413 B10R1.61 CN(C)C1CCCNC1=O 2230a_100102631434_100000687798 [0,0,1,1,0,0|1,0,1]=4 414 B10R1.61 CN(C)C1CCCNC1=O 269982a_100102631434_100000687798 [0,0,1,1,0,0|1,0,1]=4 415 B10R1.61 CN1CCCCC1C(=O)N 2230a_100000181395_200000210301 [0,0,1,1,0,0|1,0,1]=4 416 B10R1.61 CN1CCCCC1C(=O)N 269982a_100000181395_200000210301 [0,0,1,1,0,0|1,0,1]=4 417 B10R1.61 CN1CCCCC1C(=O)N 34a_100000181395_200000210301 [0,0,1,1,0,0|1,0,1]=4 418 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,0,1,1,0,0|0,0,2]=4 419 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,0,1,1,0,0|1,0,1]=4 420 B10R1.61 [13CH3]N1CCCCC1C(=O)N 2230a_100000181395_200025704644 [0,0,1,1,0,0|1,0,1]=4 421 B10R1.61 [13CH3]N1CCCCC1C(=O)N 269982a_100000181395_200025704644 [0,0,1,1,0,0|1,0,1]=4 422 B10R1.61 [13CH3]N1CCCCC1C(=O)N 34a_100000181395_200025704644 [0,0,1,1,0,0|1,0,1]=4 423 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,0,1,1,0,0|0,0,2]=4 424 B10R1.54 CC(=O)CC1CCN(C1)C 1458a_100000070787_200000690779 [0,0,1,1,0,0|1,0,1]=4 425 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 2230a_100102631434_100015189358 [0,0,1,1,0,0|1,0,1]=4 426 B10R1.54 CN(C)C[C@@H]1CCC(=O)N1 269982a_100102631434_100015189358 [0,0,1,1,0,0|1,0,1]=4 427 B10R1.54 CN1CCC(C1)CC(=O)O 269956a_100000719201_200000210301 [0,0,1,1,0,0|0,0,2]=4 428 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 269982a_100016987628_100020667443 [0,0,1,1,0,0|2,0,0]=4 429 B10R1.54 C[C@@H]1CCN(C1)CC(=O)[O-] 34a_100016987628_100020667443 [0,0,1,1,0,0|2,0,0]=4 430 B10R1.54 [13CH3]N1CCC(C1)CC(=O)O 269956a_100000719201_200025704644 [0,0,1,1,0,0|0,0,2]=4 431 B10R1.73 CC1CC1COCC(=O)[O-] 34a_100000744939_100020667443 [0,0,1,1,0,0|2,0,0]=4 432 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,1,1,0,0|2,0,0]=4 433 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,0,1,1,0,0|1,0,1]=4 434 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,1,1,0,0|2,0,0]=4 435 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,0,1,1,0,0|1,0,1]=4 436 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,0,1,1,0,0|1,0,1]=4 437 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,0,1,1,0,0|1,0,1]=4 438 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,0,1,1,0,0|1,0,1]=4 439 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,0,1,1,0,0|1,0,1]=4 440 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,0,1,1,0,0|1,0,1]=4 441 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,0,1,1,0,0|1,0,1]=4 442 B10R1.126 O=C([O-])CNCCC1CC1 34a_100000764129_100020667443 [0,0,1,1,0,0|2,0,0]=4 443 B10R1.126 O=C([O-])COCCC1CC1 34a_100000754188_100020667443 [0,0,1,1,0,0|2,0,0]=4 444 B10R1.126 O=C([O-])CSCCC1CC1 62a_100000764125_100020667443 [0,0,1,1,0,0|2,0,0]=4 445 B10R1.126 O=C([O-])CSCCC1CC1 62a_100020667443_100000764125 [0,0,1,1,0,0|2,0,0]=4 446 B12R2.298 O=C([O-])CN1CCCC12CC2 269982a_100020620911_100020667443 [0,0,0,1,0,1|2,0,0]=4 447 B12R2.298 O=C([O-])CN1CCCC12CC2 34a_100020620911_100020667443 [0,0,0,1,0,1|2,0,0]=4 448 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,0,1,0,1,0|2,0,0]=4 449 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,0,1,0,1,0|2,0,0]=4 450 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,0,1,0,1,0|1,0,1]=4 451 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,0,1,0,1,0|1,0,1]=4 452 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,0,1,0,1,0|2,0,0]=4 453 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,0,1,0,1,0|2,0,0]=4 454 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,0,1,0,1,0|2,0,0]=4 455 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,0,1,0,1,0|2,0,0]=4 456 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,0,1,0,1,0|2,0,0]=4 457 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,0,1,0,1,0|1,0,1]=4 458 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,0,1,0,1,0|0,0,2]=4 459 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,0,1,0,1,0|0,0,2]=4 460 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,0,1,0,1,0|2,0,0]=4 461 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,0,1,0,1,0|2,0,0]=4 462 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,0,1,0|0,0,2]=4 463 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,0,1,0|0,0,2]=4 464 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,0,2,0|2,0,0]=4 465 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,0,2,0|2,0,0]=4 466 B10R0.63 CCC(C)(C)N(C)CC(=O)[O-] 269982a_200000755171_100020667443 [0,0,1,0,0,1|2,0,0]=4 467 B10R0.67 CCC(C)(C)NC(C)C(=O)C 2230a_100000211385_100009814033 [0,0,1,0,0,1|2,0,0]=4 468 B10R0.67 CCC(C)(C)NC(C)C(=O)N 2230a_100000211385_100000702099 [0,0,1,0,0,1|2,0,0]=4 469 B10R0.67 CCC(C)(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000032637 [0,0,1,0,0,1|1,0,1]=4 470 B10R0.67 CCC(C)(C)OC(C)C(=O)C 7a_100000210230_100000179758 [0,0,1,0,0,1|2,0,0]=4 471 B10R0.67 CCC(C)(C)OC(C)C(=O)N 7a_100000210230_100000702099 [0,0,1,0,0,1|2,0,0]=4 472 B10R0.67 CCC(C)(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210677 [0,0,1,0,0,1|1,0,0]=3 473 B10R0.67 CCC(C)(C)O[C@H](C)C(=O)N 7a_100000731257_100000210677 [0,0,1,0,0,1|2,0,0]=4 474 B10R0.67 CCC(C)(C)SC(C)C(=O)C 62a_100000032637_100009814033 [0,0,1,0,0,1|2,0,0]=4 475 B10R0.67 CCC(C)(C)SC(C)C(=O)C 62a_100009814033_100000032637 [0,0,1,0,0,1|2,0,0]=4 476 B10R0.67 CCC(C)(C)SC(C)C(=O)N 62a_100000032637_100000702099 [0,0,1,0,0,1|2,0,0]=4 477 B10R0.67 CCC(C)(C)SC(C)C(=O)N 62a_100000702099_100000032637 [0,0,1,0,0,1|2,0,0]=4 478 B10R0.67 CCC(C)(C)SC(F)C(=O)[O-] 62a_100000032637_100020610796 [0,0,1,0,0,1|2,0,0]=4 479 B10R0.67 CCC(C)(C)SC(F)C(=O)[O-] 62a_100020610796_100000032637 [0,0,1,0,0,1|2,0,0]=4 480 B10R0.23 CCCC(OC(C)C)C(=O)N 34a_100011626294_100000210206 [0,0,1,0,0,1|2,0,0]=4 481 B10R0.23 CCCC(OC(C)C)C(=O)N 7a_100011626294_100000210206 [0,0,1,0,0,1|2,0,0]=4 482 B10R0.23 CCCN(CC(=O)[O-])C(C)C 269982a_106256033942_100020667443 [0,0,1,0,0,1|2,0,0]=4 483 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 2230a_100000729256_100000210206 [0,0,1,0,0,1|2,0,0]=4 484 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 34a_100000729256_100000210206 [0,0,1,0,0,1|2,0,0]=4 485 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [0,0,1,0,0,1|1,0,1]=4 486 B10R0.97 CC(=CCCSCC(=O)[O-])C 62a_100011217483_100020667443 [0,0,1,0,0,1|1,0,1]=4 487 B10R0.97 CC(=CCCSCC(=O)[O-])C 62a_100020667443_100011217483 [0,0,1,0,0,1|1,0,1]=4 488 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [0,0,1,0,0,1|2,0,0]=4 489 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [0,0,1,0,0,1|2,0,0]=4 490 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [0,0,1,0,0,1|2,0,0]=4 491 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [0,0,1,0,0,1|2,0,0]=4 492 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [0,0,1,0,0,1|2,0,0]=4 493 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [0,0,1,0,0,1|2,0,0]=4 494 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [0,0,1,0,0,1|2,0,0]=4 495 B10R0.97 CC(=O)CCCOCC(=O)[O-] 34a_100000759063_100020667443 [0,0,1,0,0,1|2,0,0]=4 496 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [0,0,1,0,0,1|2,0,0]=4 497 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [0,0,1,0,0,1|2,0,0]=4 498 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [0,0,1,0,0,1|2,0,0]=4 499 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100011215641_100020667443 [0,0,1,0,0,1|2,0,0]=4 500 B10R0.97 CC(=O)CCCSCC(=O)[O-] 62a_100020667443_100011215641 [0,0,1,0,0,1|2,0,0]=4 501 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [0,0,1,0,0,1|2,0,0]=4 502 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [0,0,1,0,0,1|2,0,0]=4 503 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [0,0,1,0,0,1|2,0,0]=4 504 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [0,0,1,0,0,1|2,0,0]=4 505 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [0,0,1,0,0,1|2,0,0]=4 506 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [0,0,1,0,0,1|1,0,1]=4 507 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [0,0,1,0,0,1|2,0,0]=4 508 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [0,0,1,0,0,1|2,0,0]=4 509 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [0,0,1,0,0,1|1,0,1]=4 510 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [0,0,1,0,0,1|2,0,0]=4 511 B10R0.97 CC(=O)NCCCCN(C)C 240690a_100025707445_100015343762 [0,0,1,0,0,1|1,0,1]=4 512 B10R0.97 CC(=O)OCCCCN(C)C 269982a_100102631434_100000033659 [0,0,1,0,0,1|1,0,1]=4 513 B10R0.97 CC(=O)SCCCCN(C)C 2230a_100102631434_200010402107 [0,0,1,0,0,1|1,0,1]=4 514 B10R0.97 CC(=O)SCCCCN(C)C 269982a_100102631434_200010402107 [0,0,1,0,0,1|1,0,1]=4 515 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [0,0,1,0,0,1|2,0,0]=4 516 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [0,0,1,0,0,1|2,0,0]=4 517 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [0,0,1,0,0,1|2,0,0]=4 518 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [0,0,1,0,0,1|2,0,0]=4 519 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [0,0,1,0,0,1|1,0,1]=4 520 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [0,0,1,0,0,1|1,0,0]=3 521 B10R0.97 CC(C)CCCNC[N+](=O)[O-] 34a_200000737386_100000761209 [0,0,1,0,0,1|2,0,0]=4 522 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [0,0,1,0,0,1|2,0,0]=4 523 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [0,0,1,0,0,1|2,0,0]=4 524 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [0,0,1,0,0,1|1,0,0]=3 525 B10R0.97 CC(C)CCCOC[N+](=O)[O-] 34a_100000210774_100000761209 [0,0,1,0,0,1|2,0,0]=4 526 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [0,0,1,0,0,1|2,0,0]=4 527 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [0,0,1,0,0,1|2,0,0]=4 528 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [0,0,1,0,0,1|1,0,0]=3 529 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [0,0,1,0,0,1|1,0,0]=3 530 B10R0.97 CC(C)CCCSC[N+](=O)[O-] 62a_100011214892_100000761209 [0,0,1,0,0,1|2,0,0]=4 531 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [0,0,1,0,0,1|2,0,0]=4 532 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [0,0,1,0,0,1|2,0,0]=4 533 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [0,0,1,0,0,1|2,0,0]=4 534 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [0,0,1,0,0,1|2,0,0]=4 535 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [0,0,1,0,0,1|2,0,0]=4 536 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [0,0,1,0,0,1|2,0,0]=4 537 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [0,0,1,0,0,1|2,0,0]=4 538 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [0,0,1,0,0,1|2,0,0]=4 539 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [0,0,1,0,0,1|2,0,0]=4 540 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [0,0,1,0,0,1|2,0,0]=4 541 B10R0.97 CC(C)COCCC[N+](=O)[O-] 34a_200000037920_100000210624 [0,0,1,0,0,1|2,0,0]=4 542 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [0,0,1,0,0,1|2,0,0]=4 543 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [0,0,1,0,0,1|2,0,0]=4 544 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [0,0,1,0,0,1|2,0,0]=4 545 B10R0.97 CC(C)NCCOCC(=O)[O-] 34a_100000224655_100020667443 [0,0,1,0,0,1|2,0,0]=4 546 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [0,0,1,0,0,1|2,0,0]=4 547 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [0,0,1,0,0,1|2,0,0]=4 548 B10R0.97 CC(C)OCCCC[N+](=O)[O-] 34a_200015379883_100000210206 [0,0,1,0,0,1|2,0,0]=4 549 B10R0.97 CC(C)OCCCC[N+](=O)[O-] 7a_200015379883_100000210206 [0,0,1,0,0,1|2,0,0]=4 550 B10R0.97 CC(C)OCCNCC(=O)[O-] 34a_100000701111_100020667443 [0,0,1,0,0,1|2,0,0]=4 551 B10R0.97 CC(C)OCCOCC(=O)[O-] 34a_100000211219_100020667443 [0,0,1,0,0,1|2,0,0]=4 552 B10R0.97 CC(C)OCCSCC(=O)[O-] 62a_100000211751_100020667443 [0,0,1,0,0,1|2,0,0]=4 553 B10R0.97 CC(C)OCCSCC(=O)[O-] 62a_100020667443_100000211751 [0,0,1,0,0,1|2,0,0]=4 554 B10R0.97 CC(C)SCCNCC(=O)[O-] 34a_100000731138_100020667443 [0,0,1,0,0,1|2,0,0]=4 555 B10R0.97 CC(C)SCCOCC(=O)[O-] 34a_200011212901_100020667443 [0,0,1,0,0,1|2,0,0]=4 556 B10R0.97 CC(C)SCCSCC(=O)[O-] 62a_100000730970_100020667443 [0,0,1,0,0,1|2,0,0]=4 557 B10R0.97 CC(C)SCCSCC(=O)[O-] 62a_100020667443_100000730970 [0,0,1,0,0,1|2,0,0]=4 558 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_100020667443_200000718107 [0,0,1,0,0,1|2,0,0]=4 559 B10R0.97 CC(O)CCCSCC(=O)[O-] 62a_200000718107_100020667443 [0,0,1,0,0,1|2,0,0]=4 560 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [0,0,1,0,0,1|1,0,1]=4 561 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [0,0,1,0,0,1|1,0,1]=4 562 B10R0.97 CN(C)CCCCO[N+](=O)[O-] 269982a_100102631434_100015694321 [0,0,1,0,0,1|1,0,1]=4 563 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [0,0,1,0,0,1|0,0,2]=4 564 B10R0.97 CN(C)CCCSCC(=O)N 62a_100000747473_100000757444 [0,0,1,0,0,1|1,0,1]=4 565 B10R0.97 CN(C)CCCSCC(=O)[O-] 62a_100020667443_100000757444 [0,0,1,0,0,1|0,0,1]=3 566 B10R0.97 CN(C)CCOCCC(=O)N 7a_100000757172_100000755713 [0,0,1,0,0,1|1,0,1]=4 567 B10R0.97 CN(C)CCSCCC(=O)N 62a_100000744528_100000755713 [0,0,1,0,0,1|1,0,1]=4 568 B10R0.105 CCCC(C)(C)OCC(=O)N 7a_100000748436_100000187820 [0,0,1,0,0,1|2,0,0]=4 569 B10R0.95 CCC(NC(C)(C)C)C(=O)N 2230a_100000715429_100000750255 [0,0,1,0,0,1|2,0,0]=4 570 B10R0.95 CCC(NC(C)(C)C)C(=O)N 34a_100000733705_100000210625 [0,0,1,0,0,1|2,0,0]=4 571 B10R0.95 CCC(OC(C)(C)C)C(=O)N 34a_100015890283_100000750255 [0,0,1,0,0,1|2,0,0]=4 572 B10R0.95 CCC(OC(C)(C)C)C(=O)N 7a_100015890283_100000750255 [0,0,1,0,0,1|2,0,0]=4 573 B10R0.95 CCC(SC(C)(C)C)C(=O)N 62a_100000211941_100000750255 [0,0,1,0,0,1|2,0,0]=4 574 B10R0.95 CCC(SC(C)(C)C)C(=O)N 62a_100000750255_100000211941 [0,0,1,0,0,1|2,0,0]=4 575 B10R0.95 CC[C@@H](NC(C)(C)C)C(=O)O 269956a_100000747097_100000211941 [0,0,1,0,0,1|1,0,1]=4 576 B10R0.138 CCN(CC(=O)[O-])C(C)(C)C 269982a_100011200764_100020667443 [0,0,1,0,0,1|2,0,0]=4 577 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 269982a_100015189458_100020667443 [1,0,0,0,0,1|2,0,0]=4 578 B10R1.64 C[C@@H]1CCCN1CC(=O)[O-] 34a_100015189458_100020667443 [1,0,0,0,0,1|2,0,0]=4 579 B10R1.64 C[C@H]1CCCN1CC(=O)[O-] 269982a_100020605311_100020667443 [1,0,0,0,0,1|2,0,0]=4 580 B12R1.391 CC1(COCCN1CC(=O)[O-])C 269982a_100000724681_100020667443 [0,0,0,0,0,2|2,0,0]=4 581 B12R1.391 CC1(COCCN1CC(=O)[O-])C 34a_100000724681_100020667443 [0,0,0,0,0,2|2,0,0]=4 582 B12R1.924 CC1(CCCC1OCC(=O)N)C 34a_100000726220_100000187820 [0,0,0,0,0,2|2,0,0]=4 583 B12R1.924 CC1(CCCC1OCC(=O)N)C 7a_100000726220_100000187820 [0,0,0,0,0,2|2,0,0]=4 584 B12R1.924 CC1(CCCC1OCC(=O)[O-])C 34a_100000726220_100020667443 [0,0,0,0,0,2|1,0,0]=3 585 B12R1.924 CC1(CCCC1OC[N+](=O)[O-])C 34a_100000726220_100000761209 [0,0,0,0,0,2|2,0,0]=4 586 B12R1.924 C[C@]1(CCC[C@H]1NCC(=O)[O-])O 34a_100015977457_100020667443 [0,0,0,0,0,2|2,0,0]=4 587 B12R1.1821 CC1(CCCN(C1)CC(=O)[O-])C 269982a_100000716857_100020667443 [0,0,0,0,0,2|2,0,0]=4 588 B12R1.1821 CC1(CCCN(C1)CC(=O)[O-])C 34a_100000716857_100020667443 [0,0,0,0,0,2|2,0,0]=4