0 B11R1.509 CS(=O)(=O)NC1CCNCC1 HR33335 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.509 NP(N)(=O)NC1CCCCC1 HR106411 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.509 O=S(=O)(Cl)CC1CCCCC1 HR141728 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.509 O=S(=O)([O-])NC1CCCCC1 HR122372 [0,0,0,0,0,0|0,0,1]=1 4 B10R1.18 CC(=O)CC1CCCCC1 HR100572 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.18 NC(=O)NC1CCCCC1 HR122881 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.18 NC(=O)OC1CCCCC1 HR141434 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.18 O=C(Cl)OC1CCCCC1 HR143452 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.18 O=C(O)CC1CCCCC1 HR127453 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.18 O=C(O)CC1CCCCN1 HR145759 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.18 O=C(O)CC1CCCCN1 HR145760 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.18 O=C(O)CC1CCCCN1 HR145761 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.18 O=C(O)CC1CCCCO1 HR106291 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.18 O=C(O)CC1CCCNC1 HR113295 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.18 O=C(O)CC1CCCNC1 HR117223 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.18 O=C(O)CC1CCNCC1 HR119393 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.18 O=C(O)CC1CCNCC1 HR133786 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.18 O=C(O)CC1CCOCC1 HR103813 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.18 O=C(O)CN1CCCCC1 HR105233 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.18 O=C(O)NC1CCCCC1 HR130456 [1,0,0,0,0,0|1,0,0]=2 20 B12R1.151 CS(=O)(=O)OC1CCOCC1F HR148798 [0,1,0,0,0,0|3,0,0]=4 21 B10R0.22 CCCCCCCS(=O)(=O)[O-] HR130102 [0,0,1,0,0,0|1,0,1]=3 22 B10R0.22 CCCCCCCS(=O)(=O)[O-] HR135993 [0,0,1,0,0,0|1,0,1]=3 23 B10R0.22 CCCCCCOP(=O)(O)O HR145525 [0,0,1,0,0,0|2,0,1]=4 24 B10R1.28 CS(=O)(=O)C1CCNCC1 HR33232 [0,0,0,0,1,0|2,0,0]=3 25 B10R1.28 CS(=O)(=O)N1CCNCC1 HR110274 [0,0,0,0,1,0|3,0,0]=4 26 B10R1.28 O=S(=O)(Cl)C1CCOCC1 HR112775 [0,0,0,0,1,0|2,0,0]=3 27 B10R1.28 O=S(=O)(Cl)N1CCOCC1 HR146383 [0,0,0,0,1,0|3,0,0]=4 28 B12R1.891 O=S(=O)(O)CCN1CCOCC1 HR125266 [0,0,0,0,0,1|3,0,0]=4 29 B9R0.2 CCCCCCCC(=O)O HR125696 [1,0,1,0,0,0|2,0,0]=4 30 B9R0.38 CCCCCCS(=O)(=O)Cl HR141500 [1,0,1,0,0,0|1,0,0]=3 31 B9R0.38 CCCCCCS(=O)(=O)O HR135176 [1,0,1,0,0,0|0,0,0]=2 32 B9R0.38 CCCCCCS(=O)(=O)[O-] HR100388 [1,0,1,0,0,0|0,0,1]=3 33 B9R0.38 CCCCCCS(=O)(=O)[O-] HR123677 [1,0,1,0,0,0|0,0,1]=3 34 B9R0.4 CCCCC(C)CC(=O)O HR107516 [1,0,1,0,0,0|2,0,0]=4 35 B9R1.8 CCNC1CCCCC1 HR123083 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.8 OCCC1CCCCC1 HR113490 [2,0,0,0,0,0|2,0,0]=4 37 B11R0.159 CCCCCCCCS(=O)(=O)Cl HR132302 [0,1,1,0,0,0|2,0,0]=4 38 B11R0.159 CCCCCCCCS(=O)(=O)[O-] HR123414 [0,1,1,0,0,0|1,0,1]=4 39 B11R0.159 CCCCCCCCS(=O)(=O)[O-] HR135725 [0,1,1,0,0,0|1,0,1]=4 40 B11R1.20 CC(=O)NC1CCC(O)CC1 HR105651 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.36 NC(C(=O)O)C1CCCCC1 HR103470 [1,1,0,0,0,0|2,0,0]=4 42 B11R1.36 NC(C(=O)O)C1CCCCC1 HR120802 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.36 NC(C(=O)O)C1CCCCC1 HR121437 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.36 NC(C(=O)O)C1CCCCC1 HR133419 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.36 NC(C(=O)O)C1CCCCC1 HR136207 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.40 NCC(=O)NC1CCCCC1 HR113923 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.40 O=C(CBr)NC1CCCCC1 HR109684 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.928 NC1(CC(=O)O)CCCCC1 HR110382 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.19 CS(=O)(=O)N1CCC(N)CC1 HR110835 [0,1,0,0,1,0|2,0,0]=4 50 B11R1.19 CS(=O)(=O)N1CCC(N)CC1 HR146755 [0,1,0,0,1,0|2,0,0]=4 51 B9R1.6 CC(=O)C1CCCCC1 HR132742 [1,0,0,0,1,0|2,0,0]=4 52 B9R1.6 NC(=O)C1CCCCC1 HR134499 [1,0,0,0,1,0|2,0,0]=4 53 B9R1.6 O=C(Cl)C1CCCCC1 HR133690 [1,0,0,0,1,0|2,0,0]=4 54 B9R1.6 O=C(O)C1CCCCC1 DAJL01401 [1,0,0,0,1,0|1,0,0]=3 55 B9R1.6 O=C(O)C1CCCCC1 HR10570 [1,0,0,0,1,0|1,0,0]=3 56 B9R1.6 O=C(O)C1CCCCN1 HR116043 [1,0,0,0,1,0|2,0,0]=4 57 B9R1.6 O=C(O)C1CCCCN1 HR122879 [1,0,0,0,1,0|2,0,0]=4 58 B9R1.6 O=C(O)C1CCCCN1 HR132254 [1,0,0,0,1,0|2,0,0]=4 59 B9R1.6 O=C(O)C1CCCCN1 HR136021 [1,0,0,0,1,0|2,0,0]=4 60 B9R1.6 O=C(O)C1CCCCN1 HR136802 [1,0,0,0,1,0|2,0,0]=4 61 B9R1.6 O=C(O)C1CCCCN1 HR138030 [1,0,0,0,1,0|2,0,0]=4 62 B9R1.6 O=C(O)C1CCCCN1 HR145800 [1,0,0,0,1,0|2,0,0]=4 63 B9R1.6 O=C(O)C1CCCCN1 HR5567 [1,0,0,0,1,0|2,0,0]=4 64 B9R1.6 O=C(O)C1CCCCO1 HR112642 [1,0,0,0,1,0|2,0,0]=4 65 B9R1.6 O=C(O)C1CCCCO1 HR145775 [1,0,0,0,1,0|2,0,0]=4 66 B9R1.6 O=C(O)C1CCCCO1 HR145783 [1,0,0,0,1,0|2,0,0]=4 67 B9R1.6 O=C(O)C1CCCNC1 HR115729 [1,0,0,0,1,0|2,0,0]=4 68 B9R1.6 O=C(O)C1CCCNC1 HR116358 [1,0,0,0,1,0|2,0,0]=4 69 B9R1.6 O=C(O)C1CCCNC1 HR124123 [1,0,0,0,1,0|2,0,0]=4 70 B9R1.6 O=C(O)C1CCCNC1 HR127349 [1,0,0,0,1,0|2,0,0]=4 71 B9R1.6 O=C(O)C1CCCOC1 HR108512 [1,0,0,0,1,0|2,0,0]=4 72 B9R1.6 O=C(O)C1CCNCC1 HR144644 [1,0,0,0,1,0|2,0,0]=4 73 B9R1.6 O=C(O)C1CCNCC1 HR7718 [1,0,0,0,1,0|2,0,0]=4 74 B9R1.6 O=C(O)C1CCOCC1 IBCQ00401 [1,0,0,0,1,0|2,0,0]=4 75 B9R1.6 O=C([O-])C1CCCCC1 HR120023 [1,0,0,0,1,0|1,0,1]=4 76 B9R1.6 OB(O)C1CCCCC1 HR132740 [1,0,0,0,1,0|1,0,1]=4 77 B9R1.13 O=C(O)CC1CCCC1 HR140131 [1,0,0,0,1,0|2,0,0]=4 78 B9R1.19 CS(=O)(=O)C1CCNC1 HR119636 [0,0,0,0,2,0|2,0,0]=4 79 B9R1.19 O=S(=O)(Cl)N1CCCC1 HR109591 [0,0,0,0,2,0|2,0,0]=4 80 B11R1.91 O=C(O)CCC1CCCCC1 HR128002 [1,0,0,0,0,1|2,0,0]=4 81 B11R1.742 O=C(O)CC1CCCCCC1 HR118468 [1,0,0,0,0,1|2,0,0]=4 82 B13R1.3523 O=S(=O)(O)CCNC1CCCCC1 HR123954 [0,0,0,0,0,2|0,0,0]=2 83 B13R1.3523 O=S(=O)([O-])CCNC1CCCCC1 HR128268 [0,0,0,0,0,2|0,0,1]=3