0 B11R1.1074 N#CC1(C(=O)O)CCCCC1 D97551 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.363 CC(=O)C1(O)CCCCC1 20528 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.363 CC1(C(=O)O)CCCCC1 90420 [1,0,0,0,0,0|0,0,0]=1 3 B10R1.363 CC1(C(=O)O)CCNCC1 31546 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.363 CC1(C(=O)O)CCOCC1 20359 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.363 CC1(C(N)=O)CCNCC1 F13745 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 55959 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.363 C[C@]1(C(=O)O)CCCNC1 38436 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.363 NC1(C(=O)O)CCCCC1 20484 [1,0,0,0,0,0|0,0,0]=1 9 B10R1.363 NC1(C(=O)O)CCNCC1 51826 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.363 NC1(C(=O)O)CCNCC1 83145 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.363 NC1(C(=O)O)CCOCC1 83144 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.363 NC1(C(=O)O)CCOCC1 SC5092 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.363 O=C(O)C1(F)CCNCC1 30489 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.363 O=C(O)C1(O)CCCCC1 H10415 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.363 O=C(O)C1(O)CCOCC1 P16091 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.3454 COC(=O)C1(C#N)CCOCC1 50805 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.3454 COC(=O)C1(CO)CCOCC1 D93233 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.3862 NCC1(CC(=O)O)CCCCC1 61610 [0,0,0,0,0,1|2,0,0]=3 19 B9R0.13 CCCCC(CC)C(=O)[O-] AC8589 [1,0,1,0,0,0|1,0,1]=4 20 B9R0.13 CCCCC(CC)C(=O)[O-] D95682 [1,0,1,0,0,0|1,0,1]=4 21 B9R0.13 CCCCC(CC)C(=O)[O-] H11235 [1,0,1,0,0,0|1,0,1]=4 22 B9R0.13 CCCC[C@H](CC)C(=O)[O-] 58586 [1,0,1,0,0,0|1,0,1]=4 23 B9R0.13 CCCC[C@H](CC)C(=O)[O-] A51068 [1,0,1,0,0,0|1,0,1]=4 24 B9R0.47 CCCCC[C@H](C)C(=O)O D91473 [1,0,1,0,0,0|0,0,0]=2 25 B9R0.47 CCCCC[C@H](N)C(=O)O C71385 [1,0,1,0,0,0|0,0,0]=2 26 B9R0.47 CCSCC[C@H](N)C(=O)O 30126 [1,0,1,0,0,0|1,0,0]=3 27 B9R0.47 NCCCC[C@H](N)C(=O)O 23029 [1,0,1,0,0,0|1,0,0]=3 28 B9R0.47 NCCCC[C@H](N)C(=O)O 26700 [1,0,1,0,0,0|1,0,0]=3 29 B9R0.47 NCCCC[C@H](N)C(=O)O 70041 [1,0,1,0,0,0|1,0,0]=3 30 B9R0.47 NCCCC[C@H](N)C(=O)O AC7885 [1,0,1,0,0,0|1,0,0]=3 31 B9R0.47 NCCCC[C@H](N)C(=O)O D70557 [1,0,1,0,0,0|1,0,0]=3 32 B9R0.47 NCCCC[C@H](N)C(=O)O D70613 [1,0,1,0,0,0|1,0,0]=3 33 B9R0.47 NCCCC[C@H](N)C(=O)O F11082 [1,0,1,0,0,0|1,0,0]=3 34 B9R0.47 NCCCC[C@H](N)C(=O)O FD20004 [1,0,1,0,0,0|1,0,0]=3 35 B9R0.47 NCCCC[C@H](N)C(=O)O S10365 [1,0,1,0,0,0|1,0,0]=3 36 B9R0.47 NCCCC[C@H](N)C(N)=O F10910 [1,0,1,0,0,0|2,0,0]=4 37 B9R0.51 CCCCC(C)(C)C(=O)O T71346 [1,0,1,0,0,0|0,0,0]=2 38 B9R1.6 CC(=O)C1CCCCC1 P10040 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.6 CC(=O)C1CCNCC1 25527 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.6 CC(=O)C1CCOCC1 53199 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.6 CC(=O)N1CCCCC1 S12042 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.6 CC(=O)[C@@H]1CCCCN1 W15841 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.6 C[C@H](O)C1CCCCC1 F11489 [2,0,0,0,0,0|1,0,1]=4 44 B9R1.6 N=C(N)C1CCCCC1 F20883 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.6 NC(=O)C1CCCCC1 78531 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.6 NC(=O)C1CCNCC1 39421 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.6 NC(=O)C1CCOCC1 BL008091 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.6 NC(=O)[C@@H]1CCCCN1 39419 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.6 NC(=O)[C@H]1CCCNC1 34666 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.6 NC(=O)[C@H]1CCCNC1 37192 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.6 NC(=O)[C@H]1CCCNC1 AB2972 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.6 O=C(Cl)C1CCOCC1 F12379 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.6 O=C(Cl)N1CCCCC1 F14628 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.6 O=C(O)C1=CCCCC1 22410 [2,0,0,0,0,0|0,0,2]=4 55 B9R1.6 O=C(O)C1CCCCC1 P17799 [2,0,0,0,0,0|0,0,0]=2 56 B9R1.6 O=C(O)C1CCNCC1 AB2970 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.6 O=C(O)C1CCNCC1 O12044 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.6 O=C(O)C1CCOCC1 66534 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.6 O=C(O)[C@@H]1CC=CCC1 38226 [2,0,0,0,0,0|0,0,2]=4 60 B9R1.6 O=C(O)[C@@H]1CC=CCC1 77785 [2,0,0,0,0,0|0,0,2]=4 61 B9R1.6 O=C(O)[C@@H]1CC=CCC1 F11249 [2,0,0,0,0,0|0,0,2]=4 62 B9R1.6 O=C(O)[C@@H]1CCCCN1 24951 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.6 O=C(O)[C@@H]1CCCCN1 39420 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.6 O=C(O)[C@@H]1CCCCN1 65236 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.6 O=C(O)[C@@H]1CCCCN1 69549 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.6 O=C(O)[C@@H]1CCCCN1 69551 [2,0,0,0,0,0|1,0,0]=3 67 B9R1.6 O=C(O)[C@@H]1CCCCN1 78208 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.6 O=C(O)[C@@H]1CCCCO1 29454 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.6 O=C(O)[C@@H]1CNCCN1 65130 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.6 O=C(O)[C@@H]1CNCCN1 65131 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.6 O=C(O)[C@@H]1CNCCN1 65134 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.6 O=C(O)[C@@H]1CNCCN1 65232 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.6 O=C(O)[C@@H]1CNCCO1 29628 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.6 O=C(O)[C@@H]1CNCCO1 50551 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.6 O=C(O)[C@@H]1COCCN1 25382 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.6 O=C(O)[C@@H]1COCCN1 36698 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.6 O=C(O)[C@@H]1COCCN1 63498 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.6 O=C(O)[C@@H]1COCCO1 F16389 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.6 O=C(O)[C@@H]1CSCCN1 66698 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.6 O=C(O)[C@H]1CCCNC1 24456 [2,0,0,0,0,0|1,0,0]=3 81 B9R1.6 O=C(O)[C@H]1CCCNC1 29863 [2,0,0,0,0,0|1,0,0]=3 82 B9R1.6 O=C(O)[C@H]1CCCNC1 64551 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.6 O=C(O)[C@H]1CCCNC1 64552 [2,0,0,0,0,0|1,0,0]=3 84 B9R1.6 O=C(O)[C@H]1CCCNC1 64555 [2,0,0,0,0,0|1,0,0]=3 85 B9R1.6 O=C(O)[C@H]1CCCOC1 85695 [2,0,0,0,0,0|1,0,0]=3 86 B9R1.6 O=[N+]([O-])C1CCCCC1 F17587 [2,0,0,0,0,0|1,0,1]=4 87 B9R1.6 OB(O)C1CCCCC1 33988 [2,0,0,0,0,0|1,0,1]=4 88 B9R1.118 C#CC1(N)CCCCC1 20495 [2,0,0,0,0,0|1,0,1]=4 89 B9R1.118 C#CC1(O)CCCCC1 N11899 [2,0,0,0,0,0|1,0,1]=4 90 B9R1.118 CC1(C=O)CCCCC1 BL001447 [2,0,0,0,0,0|0,0,0]=2 91 B9R1.118 CCC1(O)CCCCC1 I11478 [2,0,0,0,0,0|1,0,0]=3 92 B9R1.118 CCC1(O)CCNCC1 38113 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.118 CCC1(O)CCNCC1 P11595 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.118 N#CC1(N)CCCCC1 AB10038 [2,0,0,0,0,0|1,0,1]=4 95 B9R1.118 NC1(CO)CCOCC1 38678 [2,0,0,0,0,0|1,0,1]=4 96 B11R0.78 CCCCC[C@H](CCC)C(=O)O 76960 [0,1,1,0,0,0|1,0,0]=3 97 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 95142 [1,1,0,0,0,0|0,0,1]=3 98 B11R1.878 COC(=O)C1(Br)CCCCC1 D81969 [1,1,0,0,0,0|1,0,0]=3 99 B11R1.878 COC(=O)C1(C)CCOCC1 38675 [1,1,0,0,0,0|1,0,0]=3 100 B11R1.878 COC(=O)C1(N)CCCCC1 20838 [1,1,0,0,0,0|0,0,0]=2 101 B11R1.878 COC(=O)C1(N)CCCCC1 30856 [1,1,0,0,0,0|0,0,0]=2 102 B11R1.878 COC(=O)C1(N)CCOCC1 54430 [1,1,0,0,0,0|1,0,0]=3 103 B11R1.878 COC(=O)C1(N)CCOCC1 AB3919 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.878 COC(=O)C1(O)CCOCC1 83213 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.878 COC(=O)[C@@]1(C)CCCNC1 38437 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.878 COC(=O)[C@]1(C)CCCCN1 55961 [1,1,0,0,0,0|1,0,0]=3 107 B11R1.1385 O=C(O)C1(C(=O)O)CCCC1 76495 [0,1,0,0,1,0|2,0,0]=4 108 B13R1.4942 COC(=O)CC1(CN)CCCCC1 73872 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.3 CCC1CCC(C(=O)O)CC1 F16511 [0,0,1,1,0,0|1,0,0]=3 110 B11R1.3 CCN1CCC(C(=O)O)CC1 71830 [0,0,1,1,0,0|2,0,0]=4 111 B11R1.3 CC[C@H]1CC[C@H](C(=O)O)CC1 F16564 [0,0,1,1,0,0|1,0,0]=3 112 B11R1.3 COC1CCC(C(=O)O)CC1 P10061 [0,0,1,1,0,0|2,0,0]=4 113 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 P15619 [0,0,1,1,0,0|2,0,0]=4 114 B11R1.3 O=C(O)[C@H]1CC[C@H](CO)CC1 P10923 [0,0,1,1,0,0|2,0,0]=4 115 B9R1.163 C[C@@]1(C(=O)O)CCCN1 38428 [1,0,0,0,1,0|1,0,0]=3 116 B9R1.163 C[C@@]1(C(=O)O)CCCN1 85143 [1,0,0,0,1,0|1,0,0]=3 117 B9R1.163 C[C@@]1(C(=O)O)CCCN1 F14122 [1,0,0,0,1,0|1,0,0]=3 118 B9R1.163 C[C@@]1(C(=O)O)CCCN1 S10668 [1,0,0,0,1,0|1,0,0]=3 119 B9R1.163 C[C@@]1(C(=O)O)CCCO1 30852 [1,0,0,0,1,0|1,0,0]=3 120 B9R1.163 NC(=O)C1(N)CCCC1 21133 [1,0,0,0,1,0|1,0,0]=3 121 B9R1.163 NC(=O)C1(N)CCCC1 F10420 [1,0,0,0,1,0|1,0,0]=3 122 B9R1.163 NC1(C(=O)O)CCCC1 FD1031 [1,0,0,0,1,0|0,0,0]=2 123 B9R1.163 O=C(O)C1(O)CCCC1 RB3239 [1,0,0,0,1,0|1,0,0]=3 124 B9R1.119 CCC1(C(=O)O)COC1 32753 [0,0,0,0,2,0|2,0,0]=4 125 B9R1.119 NCC1(C(=O)O)CCC1 P17745 [0,0,0,0,2,0|2,0,0]=4