0 B10R1.363 CC1(C(=O)O)CCCCN1 M12952 [1,0,0,0,0,0|1,0,0]=2 1 B10R1.363 N=C(N)C1(O)CCCCC1 H13782 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.363 NC1(C(=O)O)CCNCC1 A13432 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.363 NC1(C(=O)O)CCNCC1 A18167 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.363 NC1(C(=O)O)CCOCC1 A15423 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.363 NC1(C(=O)O)CCSCC1 A15988 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.363 O=C(O)C1(O)CCCCC1 H14842 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.363 O=C(O)C1(O)CCCCC1 H14842 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.3862 NCC1(CC(=O)O)CCCCC1 G1413 [0,0,0,0,0,1|2,0,0]=3 9 B12R1.3862 NCC1(CC(=O)O)CCCCC1 G1413 [0,0,0,0,0,1|2,0,0]=3 10 B9R0.13 CCCCC(CC)C(=O)[O-] S7723 [1,0,1,0,0,0|1,0,1]=4 11 B9R0.47 NCCCCC(N)C(=O)O L0399 [1,0,1,0,0,0|1,0,0]=3 12 B9R0.47 NCCCC[C@@H](N)C(=O)O H8309 [1,0,1,0,0,0|1,0,0]=3 13 B9R0.47 NCCCC[C@H](N)C(=O)O L1919 [1,0,1,0,0,0|1,0,0]=3 14 B9R0.47 NCCCC[C@H](N)C(=O)O L1919 [1,0,1,0,0,0|1,0,0]=3 15 B9R0.47 NCCCC[C@H](N)C(=O)O L6200 [1,0,1,0,0,0|1,0,0]=3 16 B9R0.47 NCCCC[C@H](N)C(=O)O L6279 [1,0,1,0,0,0|1,0,0]=3 17 B9R0.47 NCCCC[C@H](N)C(=O)O L6356 [1,0,1,0,0,0|1,0,0]=3 18 B9R0.47 N[C@@H](CSCCO)C(=O)O H7677 [1,0,1,0,0,0|2,0,0]=4 19 B9R0.47 N[C@H](CSCCO)C(=O)O A7678 [1,0,1,0,0,0|2,0,0]=4 20 B9R1.6 N=C(N)C1CCCCC1 C13019 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.6 NC(=O)C1CCCCN1 P11625 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.6 NC(=O)C1CCCNC1 P11626 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.6 NC(=O)C1CCNCC1 P11627 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.6 O=C(O)C1CC=CCC1 C3660 [2,0,0,0,0,0|0,0,2]=4 25 B9R1.6 O=C(O)C1CCCCC1 C18818 [2,0,0,0,0,0|0,0,0]=2 26 B9R1.6 O=C(O)C1CCCCN1 P3033 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.6 O=C(O)C1CCCCN1 P3033 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.6 O=C(O)C1CCCCN1 P4996 [2,0,0,0,0,0|1,0,0]=3 29 B9R1.6 O=C(O)C1CCCNC1 P4047 [2,0,0,0,0,0|1,0,0]=3 30 B9R1.6 O=C(O)C1CCNCC1 P1046 [2,0,0,0,0,0|1,0,0]=3 31 B9R1.6 O=C(O)C1CCOCC1 T11054 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.6 O=C(O)C1CNCCN1 P0002 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.6 O=C(O)C1CNCCO1 M14076 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.6 O=C(O)C1CSCCN1 T12966 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.6 O=C(O)[C@@H]1CCCCN1 L6054 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.6 O=C(O)[C@@H]1CCCCN1 L6054 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.6 O=C(O)[C@@H]1CCCNC1 P7231 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.6 O=C(O)[C@@H]1CNCCN1 P1990 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.6 O=C(O)[C@@H]1CNCCN1 S6059 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.6 O=C(O)[C@@H]1COCCN1 M14113 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.6 O=C(O)[C@@H]1CSCCN1 T16413 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.6 O=C(O)[C@H]1CCCNC1 P7232 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.6 O=C(O)[C@H]1CNCCN1 R6058 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.6 O=C(O)[C@H]1CNCCN1 R6061 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.118 C#CC1(C)CCCCC1 E19301 [2,0,0,0,0,0|1,0,1]=4 46 B9R1.118 CC1(CBr)CCCCC1 B16961 [2,0,0,0,0,0|1,0,1]=4 47 B9R1.118 CC1(CCl)CCCCC1 C17007 [2,0,0,0,0,0|1,0,1]=4 48 B9R1.118 CC1(CN)CCCCC1 A15223 [2,0,0,0,0,0|1,0,1]=4 49 B9R1.118 CC1(CO)CCCCC1 H12662 [2,0,0,0,0,0|0,0,1]=3 50 B9R1.118 NC1(CO)CCCCC1 A18987 [2,0,0,0,0,0|0,0,1]=3 51 B9R1.118 NC1(CO)CCOCC1 A15413 [2,0,0,0,0,0|1,0,1]=4 52 B9R1.118 NCC1(O)CCCCC1 A18986 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.667 CC1CCCC(N)(C(=O)O)C1 A13355 [1,1,0,0,0,0|0,0,0]=2 54 B11R1.878 COC(=O)C1(N)CCOCC1 A16217 [1,1,0,0,0,0|1,0,0]=3 55 B11R1.878 COC(=O)C1(N)CCSCC1 A16120 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.878 N\C(=N\O)C1(O)CCCCC1 D13762 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.1239 O=C(O)C1(CCO)CCNC1 H14024 [0,1,0,0,1,0|2,0,0]=4 58 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 T5811 [0,0,1,1,0,0|2,0,0]=4 59 B11R1.143 NC1CCCCCC1C(=O)O A12931 [0,0,1,1,0,0|2,0,0]=4 60 B11R1.737 NC1(C(=O)O)CCCCCC1 A12845 [0,0,1,1,0,0|2,0,0]=4 61 B11R1.737 O=C(O)C1(O)CCCCCC1 H17065 [0,0,1,1,0,0|2,0,0]=4 62 B13R2.13663 O=C(O)C12CCCCC1CNC2 O13889 [0,1,0,1,0,0|0,0,0]=2 63 B9R1.163 C[C@]1(C(=O)O)CCCN1 M16392 [1,0,0,0,1,0|1,0,0]=3 64 B9R1.163 NC(=O)C1(N)CCCC1 A3466 [1,0,0,0,1,0|1,0,0]=3 65 B9R1.163 NC1(C(=O)O)CCCC1 A12495 [1,0,0,0,1,0|0,0,0]=2 66 B9R1.163 NC1(C(=O)O)CCNC1 A14575 [1,0,0,0,1,0|1,0,0]=3 67 B11R1.928 NC1(CC(=O)O)CCCCC1 A14529 [1,0,0,0,0,1|0,0,0]=2