0 B9R0.35 CCC[C@@H](N)C(=O)OCC 34971 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.35 CCC[C@H](N)C(=O)OCC 34972 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.35 CCOC(=N)C(=O)OCC 35840 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.1 C=COC(=O)CCCC 13121 [1,0,0,0,0,0|1,0,2]=4 4 B8R0.1 CCOC(=O)CCC#N 31621 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.1 CCOC(=O)CCCBr 3949 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.1 CCOC(=O)CCCI 35852 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.1 CCOC(=O)NCCCl 23479 [1,0,0,0,0,0|3,0,0]=4 8 B8R0.3 CCC[C@H](N)C(=O)OC 10951 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.3 CCOC(=O)C(=O)CC 24313 [1,0,0,0,0,0|1,0,2]=4 10 B8R0.3 CCOC(=O)[C@@H](N)CO 19044 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.3 CCOC(=O)[C@@H](N)CS 10909 [1,0,0,0,0,0|3,0,0]=4 12 B10R0.19 CCCCC(=O)C(=O)OCC 18138 [0,1,0,0,0,0|1,0,2]=4 13 B10R0.19 CCOC(=O)[C@@H](N)CCSC 14924 [0,1,0,0,0,0|2,0,0]=3 14 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C 18876 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.4 CCOC1=CCCCC1=O 17651 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.7 NC1CCCCCNC1=O 14099 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.11 CCOC(=O)C1CCCN1 15638 [0,0,0,1,0,0|2,0,0]=3 18 B10R1.11 CCOC(=O)C1CCCO1 7091 [0,0,0,1,0,0|1,0,0]=2 19 B10R1.11 CCOC(=O)C1CCNC1 14291 [0,0,0,1,0,0|3,0,0]=4 20 B10R1.11 CCOC(=O)C1CCNC1 18711 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.11 CCOC(=O)C1CCNC1 20614 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.11 CCOC(=O)[C@H]1CCCN1 45085 [0,0,0,1,0,0|2,0,0]=3 23 B10R1.140 CCOC(=O)C1CC(O)C1 27136 [0,0,0,1,0,0|3,0,0]=4 24 B10R0.2 CCOC(=O)C[C@@H](O)CC#N 21112 [0,0,0,0,0,1|2,0,1]=4 25 B10R0.2 CCOC(=O)C[C@H](O)CC#N 5748 [0,0,0,0,0,1|2,0,1]=4 26 B7R0.1 CCCCCCCBr 3775 [2,0,0,0,0,0|1,0,1]=4 27 B7R0.1 CCCCCCCI 3944 [2,0,0,0,0,0|1,0,1]=4 28 B7R0.1 CCCC\C=C\CO 18918 [2,0,0,0,0,0|1,0,1]=4 29 B7R0.7 CCCC(N)CCC 12594 [2,0,0,0,0,0|1,0,0]=3 30 B7R0.7 CCOC(=O)CCBr 25427 [2,0,0,0,0,0|2,0,0]=4 31 B7R0.7 CCOC(=O)CCN 10927 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.7 CCOC(=O)CNC 10917 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.7 O=C(CCCl)CCCl 2482 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.5 CCCC(C)C(=O)Cl 21794 [2,0,0,0,0,0|2,0,0]=4 35 B7R0.5 CCCC(C)C(=O)O 2465 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.5 CCC[C@H](C)C(=O)O 5642 [2,0,0,0,0,0|2,0,0]=4 37 B7R0.5 CCC[C@H](N)C(=O)O 5727 [2,0,0,0,0,0|2,0,0]=4 38 B7R0.5 CCOC(=O)C(C)F 13697 [2,0,0,0,0,0|2,0,0]=4 39 B7R0.5 CCOC(=O)C(C)N 10928 [2,0,0,0,0,0|2,0,0]=4 40 B7R0.5 CCOC(=O)[C@@H](C)O 15558 [2,0,0,0,0,0|1,0,0]=3 41 B7R0.5 CCOC(=O)[C@H](C)N 12964 [2,0,0,0,0,0|2,0,0]=4 42 B7R0.5 CCOC(=O)[C@H](C)O 26157 [2,0,0,0,0,0|1,0,0]=3 43 B7R0.5 NCCC(O)C(=O)O 23215 [2,0,0,0,0,0|2,0,0]=4 44 B7R0.5 NCC[C@H](O)C(=O)O 5719 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.5 O=C(O)[C@@H](O)CCO 16051 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.10 CCC(Br)C(=O)OC 20191 [2,0,0,0,0,0|2,0,0]=4 47 B7R0.10 CC[C@@H](N)C(=O)OC 31750 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.10 COC(=O)C(O)OC 17980 [2,0,0,0,0,0|2,0,0]=4 49 B9R0.5 CCCCCC(=O)OCC 15737 [1,1,0,0,0,0|1,0,0]=3 50 B9R0.5 CCOC(=O)CCCCBr 3955 [1,1,0,0,0,0|1,0,0]=3 51 B9R0.5 CCOC(=O)CCCCN 31885 [1,1,0,0,0,0|1,0,0]=3 52 B9R0.18 O=C(CCCCl)CCCCl 13593 [1,1,0,0,0,0|1,0,0]=3 53 B9R0.34 CCOC(=O)C[C@@H](O)CCl 5919 [1,1,0,0,0,0|2,0,0]=4 54 B9R0.34 CCOC(=O)C[C@H](O)CC 15561 [1,1,0,0,0,0|1,0,0]=3 55 B9R0.34 CCOC(=O)C[C@H](O)CCl 5783 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.34 CCOC(=O)C[C@H](O)CI 31814 [1,1,0,0,0,0|2,0,0]=4 57 B9R0.48 CCOC(=O)CCC(C)=O 11220 [1,1,0,0,0,0|1,0,1]=4 58 B9R0.6 CCOC(=O)C(Br)C(C)Br 12650 [1,1,0,0,0,0|2,0,0]=4 59 B9R0.6 CCOC(=O)[C@@H](N)C(C)C 14928 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.6 CCOC(=O)[C@H](O)C(C)C 15559 [1,1,0,0,0,0|1,0,0]=3 61 B9R0.23 CCC(=O)C(C)CN(C)C 44881 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.23 COC(=O)[C@@H](N)CC(C)C 10892 [1,1,0,0,0,0|2,0,0]=4 63 B9R0.23 COC(=O)[C@H](N)CC(C)C 10893 [1,1,0,0,0,0|2,0,0]=4 64 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC 10894 [1,1,0,0,0,0|2,0,0]=4 65 B11R0.155 CCOC(=O)[C@@H](N)CCCCN 18980 [0,2,0,0,0,0|2,0,0]=4 66 B11R0.247 CCCCC(F)(F)C(=O)OCC 22649 [0,2,0,0,0,0|2,0,0]=4 67 B11R0.186 CCC[C@H](N)C(=O)OC(C)(C)C 5691 [0,2,0,0,0,0|2,0,0]=4 68 B11R0.186 CCC[C@H](N)C(=O)OC(C)(C)C 5693 [0,2,0,0,0,0|2,0,0]=4 69 B11R0.186 CCOC(=O)[C@@H](N)CC(C)(C)F 35352 [0,2,0,0,0,0|2,0,0]=4 70 B9R1.2 CCN1CCCC(O)C1 7716 [1,0,0,1,0,0|1,0,1]=4 71 B9R1.8 CCC[C@@H]1CCCCN1 15600 [1,0,0,1,0,0|1,0,1]=4 72 B9R1.8 CCC[C@H]1CCCCN1 15602 [1,0,0,1,0,0|1,0,1]=4 73 B9R1.8 NCCC1CCCCO1 17887 [1,0,0,1,0,0|1,0,1]=4 74 B9R1.12 CCCCN1CCCC1 14061 [1,0,0,1,0,0|2,0,0]=4 75 B9R1.15 CCC1CCCOC1=O 26311 [1,0,0,1,0,0|1,0,0]=3 76 B9R1.15 COC1COCCC1=O 24387 [1,0,0,1,0,0|2,0,0]=4 77 B9R1.15 O=C1CCCCC1CO 20380 [1,0,0,1,0,0|1,0,0]=3 78 B9R1.27 CCC1C(=O)CCC1=O 35624 [1,0,0,1,0,0|1,0,1]=4 79 B9R1.33 CCCN1CCCC1=O 9160 [1,0,0,1,0,0|1,0,0]=3 80 B9R1.48 O=C1CCCCC(=O)C1 20261 [1,0,0,1,0,0|1,0,1]=4 81 B9R1.49 CN1CCCC(=O)CC1 2442 [1,0,0,1,0,0|1,0,0]=3 82 B9R1.49 CN1CCCC(=O)CC1 2443 [1,0,0,1,0,0|1,0,0]=3 83 B9R1.49 CN1CCCC(O)CC1 2444 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.5 CN1CCCCCC1=O 36383 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.5 NC1CCCCNC1=O 20137 [1,0,0,1,0,0|2,0,0]=4 86 B9R1.5 N[C@@H]1CCCCNC1=O 30434 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.5 N[C@H]1CCCCNC1=O 14097 [1,0,0,1,0,0|2,0,0]=4 88 B9R1.11 COC(=O)C1CCCO1 2380 [1,0,0,1,0,0|1,0,0]=3 89 B9R1.11 COC(=O)[C@@H]1CCCN1 10887 [1,0,0,1,0,0|2,0,0]=4 90 B9R1.11 COC(=O)[C@H]1CCCN1 10888 [1,0,0,1,0,0|2,0,0]=4 91 B9R1.74 CCOC(=O)C1(N)CC1 14733 [1,0,0,1,0,0|2,0,0]=4 92 B9R1.101 COC(=O)C(N)C1CC1 14421 [1,0,0,1,0,0|2,0,0]=4 93 B11R1.30 CCOC(=O)CC1CCCO1 15629 [0,0,0,1,0,1|1,0,0]=3 94 B11R1.15 CCOC(=O)[C@H]1C[C@@H](O)CN1 5632 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.16 CCOC(=O)C1CCCCC1 36040 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.16 CCOC(=O)C1CCCCN1 17507 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.16 CCOC(=O)C1CCCCN1 7720 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.16 CCOC(=O)C1CCCNC1 7719 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.16 CCOC(=O)C1CCNCC1 26169 [0,1,0,1,0,0|2,0,0]=4 100 B11R1.16 CCOC(=O)C1CCNCC1 7219 [0,1,0,1,0,0|2,0,0]=4 101 B11R1.16 CCOC(=O)C1CNCCO1 32242 [0,1,0,1,0,0|1,0,0]=3 102 B11R1.16 CCOC(=O)C1SCCCS1 22055 [0,1,0,1,0,0|1,1,0]=4 103 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 23481 [0,1,0,1,0,0|2,0,0]=4 104 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 11757 [0,1,0,1,0,0|2,0,0]=4 105 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 16883 [0,1,0,1,0,0|2,0,0]=4 106 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 5874 [0,1,0,1,0,0|2,0,0]=4 107 B11R1.16 CCOC(=O)[C@H]1CCCNC1 11758 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.16 CCOC(=O)[C@H]1CCCNC1 11760 [0,1,0,1,0,0|2,0,0]=4 109 B11R1.17 CCCCC1CCCCC1=O 20238 [0,1,0,1,0,0|1,0,0]=3 110 B11R1.381 CCN1CCCC[C@H](N)C1=O 6395 [0,1,0,1,0,0|2,0,0]=4 111 B11R1.819 CCOC(=O)C1(N)CCCC1 15636 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.86 CN(C)CC1CCCCC1=O 27055 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.86 CN(C)CC1CCCCC1=O 35621 [0,1,0,1,0,0|2,0,0]=4 114 B11R2.3 O=C1NCCC12CCCC2 23931 [0,0,0,2,0,0|2,0,0]=4