0 B10R1.18 CC(=O)CC1CCCCN1 C06182 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=O)OC1CCCCC1 C12297 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.8 CCC[C@H]1CCCCN1 C06523 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.8 O=CNC1CCCCC1 C11519 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.86 CC(=O)CC1CCCCN1C C06184 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.509 O=S(=O)(O)NC1CCCCC1 C02824 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.509 O=S(=O)([O-])NC1CCCCC1 C19378 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.2 CCCCCCCC(=O)O C06423 [0,0,1,0,0,0|0,0,0]=1 8 B9R0.2 O=C(O)CCCCCCS C16593 [0,0,1,0,0,0|1,0,0]=2 9 B9R0.2 O=CCCCCCC(=O)O C16590 [0,0,1,0,0,0|1,0,1]=3 10 B9R0.4 CCCC\C(Br)=C\C(=O)O C13793 [0,0,1,0,0,0|1,0,2]=4 11 B9R0.4 NCCC[C@H](N)CC(=O)O C01142 [0,0,1,0,0,0|2,0,0]=3 12 B9R1.6 NC(=O)[C@@H]1CCCCN1 C19809 [0,0,0,0,1,0|2,0,0]=3 13 B9R1.6 NC(=O)[C@@H]1CNCCN1 C19782 [0,0,0,0,1,0|3,0,0]=4 14 B9R1.6 NC(=O)[C@H]1CNCCN1 C19778 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.6 O=C(O)C1=CCCCC1 C12101 [0,0,0,0,1,0|0,0,2]=3 16 B9R1.6 O=C(O)C1=CCCNC1 C10149 [0,0,0,0,1,0|1,0,2]=4 17 B9R1.6 O=C(O)C1=CCNCC1 C13694 [0,0,0,0,1,0|1,0,2]=4 18 B9R1.6 O=C(O)C1=NCCCC1 C04092 [0,0,0,0,1,0|1,0,1]=3 19 B9R1.6 O=C(O)C1=NCCSC1 C04445 [0,0,0,0,1,0|2,0,1]=4 20 B9R1.6 O=C(O)C1CCCCC1 C09822 [0,0,0,0,1,0|0,0,0]=1 21 B9R1.6 O=C(O)C1CSCCN1 C03901 [0,0,0,0,1,0|2,0,0]=3 22 B9R1.6 O=C(O)[C@@H]1CC=CCN1 C08268 [0,0,0,0,1,0|1,0,2]=4 23 B9R1.6 O=C(O)[C@@H]1CCCC=N1 C00450 [0,0,0,0,1,0|1,0,1]=3 24 B9R1.6 O=C(O)[C@@H]1CCCCN1 C00408 [0,0,0,0,1,0|1,0,0]=2 25 B9R1.6 O=C(O)[C@@H]1CNCCN1 C19783 [0,0,0,0,1,0|2,0,0]=3 26 B9R1.6 O=C(O)[C@H]1CNCCN1 C19780 [0,0,0,0,1,0|2,0,0]=3 27 B9R1.13 O=C(O)CC1CCCS1 C11072 [0,0,0,0,1,0|1,0,0]=2 28 B8R0.4 CCCCCCCC=O C01545 [1,0,1,0,0,0|0,0,0]=2 29 B8R0.4 CCCCCCCCN C01740 [1,0,1,0,0,0|1,0,1]=4 30 B8R0.4 CCCCCCCCO C00756 [1,0,1,0,0,0|0,0,1]=3 31 B8R0.4 CCCCC\C=C\C=O C21138 [1,0,1,0,0,0|0,0,2]=4 32 B8R0.7 CCCCCCC(=O)O C17714 [1,0,1,0,0,0|0,0,0]=2 33 B8R0.7 NCCCCCC(=O)O C02378 [1,0,1,0,0,0|1,0,0]=3 34 B8R0.7 O=C(O)CCCCCO C06103 [1,0,1,0,0,0|1,0,0]=3 35 B8R0.7 O=CCCCCC(=O)O C06102 [1,0,1,0,0,0|1,0,1]=4 36 B8R0.5 CCCC(=O)CC(=O)O C02122 [1,0,1,0,0,0|1,0,1]=4 37 B8R0.16 CCN(CC)CC(=O)O C16647 [1,0,1,0,0,0|1,0,0]=3 38 B8R1.2 O=NN1CCCCC1 C19284 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 [C-]#[N+]C1CCCCC1 C11520 [2,0,0,0,0,0|1,0,1]=4 40 B10R0.4 CCCCCCCCC(=O)O C01601 [0,1,1,0,0,0|0,0,0]=2 41 B10R0.6 CCCCCC(O)CC(=O)O C20793 [0,1,1,0,0,0|0,0,0]=2 42 B10R0.74 [*]NC(=O)CCCCCCC C16236 [0,1,1,0,0,0|1,0,0]=3 43 B10R0.74 [*]SC(=O)CCCCCCC C05752 [0,1,1,0,0,0|0,1,0]=3 44 B10R0.75 CNCCCC[C@H](N)C(=O)O C02728 [0,1,1,0,0,0|1,0,0]=3 45 B10R0.75 CSCCCCC(=O)C(=O)O C17216 [0,1,1,0,0,0|1,0,1]=4 46 B10R0.75 CSCCCC[C@H](N)C(=O)O C17217 [0,1,1,0,0,0|1,0,0]=3 47 B10R0.75 N[C@@H](CCCCNO)C(=O)O C01028 [0,1,1,0,0,0|2,0,0]=4 48 B10R0.97 CC(=O)NCCCCC(=O)O C03087 [0,1,1,0,0,0|1,0,1]=4 49 B10R0.97 O=C(O)CCCCCC(=O)O C02656 [0,1,1,0,0,0|1,0,1]=4 50 B10R0.23 CCCC(CC(=O)O)C(=O)O C16657 [0,1,1,0,0,0|1,0,1]=4 51 B10R1.13 NC1CCN(C(=O)O)CC1 C16837 [0,1,0,0,1,0|1,0,0]=3 52 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 C04404 [0,1,0,0,1,0|0,0,0]=2 53 B10R1.13 O=C1CCC(C(=O)O)CC1 C03767 [0,1,0,0,1,0|0,0,1]=3 54 B10R1.64 CC(=O)C[C@@H]1CCCN1C C11359 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.64 CC(=O)C[C@H]1CCCN1C C06179 [0,1,0,0,1,0|2,0,0]=4 56 B12R1.3862 C#CC1(OC(N)=O)CCCCC1 C07832 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.3862 NCC1(CC(=O)O)CCCCC1 C07018 [0,2,0,0,0,0|0,0,0]=2 58 B10R1.348 O=C(O)C1CCCCCC1 C12104 [0,0,1,1,0,0|0,0,0]=2 59 B12R2.1154 CN1C2CCCC1CC(=O)C2 C10865 [0,1,0,1,0,0|2,0,0]=4 60 B8R0.8 CCCCC(=O)C(=O)O C00902 [0,0,1,0,1,0|1,0,1]=4 61 B8R0.8 CCCC[C@H](N)C(=O)O C01933 [0,0,1,0,1,0|1,0,0]=3 62 B8R0.8 CSCCC(N)C(=O)O C01733 [0,0,1,0,1,0|2,0,0]=4 63 B8R0.8 CSCC[C@@H](N)C(=O)O C00855 [0,0,1,0,1,0|2,0,0]=4 64 B8R0.8 CSCC[C@H](N)C(=O)O C00073 [0,0,1,0,1,0|2,0,0]=4 65 B8R0.8 C[Se]CC[C@H](N)C(=O)O C05335 [0,0,1,0,1,0|2,0,0]=4 66 B8R0.8 NCCCC(N)C(=O)O C01602 [0,0,1,0,1,0|2,0,0]=4 67 B8R0.8 NCCC[C@@H](N)C(=O)O C00515 [0,0,1,0,1,0|2,0,0]=4 68 B8R0.8 NCCC[C@@H](N)C(=O)O C11320 [0,0,1,0,1,0|2,0,0]=4 69 B8R0.8 NCCC[C@H](N)C(=O)O C00077 [0,0,1,0,1,0|2,0,0]=4 70 B8R1.7 NC(=O)[C@@H]1CCCN1 C19781 [0,0,0,0,2,0|2,0,0]=4 71 B8R1.7 O=C(O)C1=NCCC1 C03564 [0,0,0,0,2,0|1,0,1]=4 72 B8R1.7 O=C(O)C1CCC=N1 C04322 [0,0,0,0,2,0|1,0,1]=4 73 B8R1.7 O=C(O)C1CCCN1 C16435 [0,0,0,0,2,0|1,0,0]=3 74 B8R1.7 O=C(O)C1CCCS1 C11074 [0,0,0,0,2,0|1,0,0]=3 75 B8R1.7 O=C(O)C1CSSC1 C01892 [0,0,0,0,2,0|2,0,0]=4 76 B8R1.7 O=C(O)[C@@H]1CCCN1 C00148 [0,0,0,0,2,0|1,0,0]=3 77 B8R1.7 O=C(O)[C@H]1CCCN1 C00763 [0,0,0,0,2,0|1,0,0]=3 78 B8R1.7 [C@@H]1(C(=O)O)CCC=N1 C03912 [0,0,0,0,2,0|1,0,1]=4