0 B9R0.2 CC(=O)NCCCCCN T5222 [0,0,0,0,0,0|3,0,0]=3 1 B9R0.2 CCCCCCCC(=O)O T3946 [0,0,0,0,0,0|0,0,0]=0 2 B9R0.2 CCCCC\C=C\C(=O)O T5261 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.4 CCCCCCCCO T10024 [1,0,0,0,0,0|0,0,1]=2 4 B8R0.4 NCCCCCCCN T7998 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.7 CC(=O)NCCCCN T7508 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.7 NCCCCCC(=O)O T0881 [1,0,0,0,0,0|1,0,0]=2 7 B10R0.4 CCCCCCCCC(=O)O T3947 [0,1,0,0,0,0|0,0,0]=1 8 B10R0.4 NCCCCCCCC(=O)O T8102 [0,1,0,0,0,0|0,0,0]=1 9 B10R0.75 CCCCCCC(O)C(=O)O T7481 [0,1,0,0,0,0|0,0,0]=1 10 B10R0.75 N[C@@H](CSCCCO)C(=O)O T1481 [0,1,0,0,0,0|2,0,0]=3 11 B10R0.97 O=C(O)CCCCCC(=O)O T4795 [0,1,0,0,0,0|1,0,1]=3 12 B10R1.61 O=C(O)C1CCCCN1O T19458 [0,0,0,1,0,0|2,0,0]=3 13 B7R0.4 NCCCCC(=O)O T5089 [2,0,0,0,0,0|1,0,0]=3 14 B9R0.1 COC(=O)CCCC(=O)O T4764 [1,1,0,0,0,0|1,0,1]=4 15 B9R0.47 NCCCCC(N)C(=O)O T19290 [1,1,0,0,0,0|1,0,0]=3 16 B9R0.47 NCCCC[C@H](N)C(=O)O T2A2498 [1,1,0,0,0,0|1,0,0]=3 17 B9R0.47 NCCCC[C@H](N)C(=O)O T8071 [1,1,0,0,0,0|1,0,0]=3 18 B9R0.47 NCCOC[C@H](N)C(=O)O T11795 [1,1,0,0,0,0|2,0,0]=4 19 B9R0.55 CC(=O)NCCCC(=O)O T4728 [1,1,0,0,0,0|1,0,1]=4 20 B9R0.55 O=C(O)CCCCC(=O)O T2228 [1,1,0,0,0,0|1,0,1]=4 21 B9R0.55 O=C(O)CCCCC(=O)O T7146 [1,1,0,0,0,0|1,0,1]=4 22 B11R0.141 CCNC(=O)CC[C@H](N)C(=O)O T2800 [0,2,0,0,0,0|1,0,1]=4 23 B11R0.30 CC(=O)NCCCCCC(=O)O T0436 [0,2,0,0,0,0|0,0,1]=3 24 B11R0.30 O=C(O)CCCCCCC(=O)O T4734 [0,2,0,0,0,0|0,0,1]=3 25 B11R0.148 CCCCCCCCCC(=O)O T3379 [0,2,0,0,0,0|0,0,0]=2 26 B11R0.148 CCCCCCCCCC(=O)[O-] T21240 [0,2,0,0,0,0|0,0,1]=3 27 B11R0.148 CCCCCCCCCC(C)=O T8017 [0,2,0,0,0,0|1,0,0]=3 28 B11R0.148 CCCCCCCCOC(C)=O T5667 [0,2,0,0,0,0|1,0,0]=3 29 B11R0.148 CCCCCCC\C=C/C(=O)O TQ0251 [0,2,0,0,0,0|0,0,0]=2 30 B11R0.148 CCCCCCC\C=C\C(=O)O T7332 [0,2,0,0,0,0|0,0,0]=2 31 B11R0.148 N=C(N)NCCCCCCCN T11372 [0,2,0,0,0,0|2,0,0]=4 32 B11R0.176 O=C(O)CCCCC(S)CCS T21233 [0,2,0,0,0,0|0,0,0]=2 33 B11R0.29 CC(=N)NCCC[C@H](N)C(=O)O T11806 [0,2,0,0,0,0|1,0,1]=4 34 B11R0.164 CCCCC(CC)CCC(=O)O T7456 [0,2,0,0,0,0|0,0,0]=2 35 B9R1.6 O=C(O)C1CCCCC1 T5563 [1,0,0,1,0,0|0,0,0]=2 36 B9R1.6 O=C(O)C1CCCCN1 T4819 [1,0,0,1,0,0|1,0,0]=3 37 B9R1.6 O=C(O)C1CCNCC1 T22348 [1,0,0,1,0,0|1,0,0]=3 38 B9R1.6 O=C(O)[C@@H]1CCCCN1 T4762 [1,0,0,1,0,0|1,0,0]=3 39 B9R1.6 O=C(O)[C@@H]1CCCNC1 T22482 [1,0,0,1,0,0|1,0,0]=3 40 B9R1.6 O=C(O)[C@H]1CCCCN1 T13634 [1,0,0,1,0,0|1,0,0]=3 41 B11R1.509 O=S(=O)(O)NC1CCCCC1 T0941 [0,1,0,1,0,0|2,0,0]=4 42 B11R2.432 CN1C2CCC1CC(=O)C2 Fr13711 [0,0,0,2,0,0|2,0,0]=4