0 B8R1.7 CC(=O)N1C=CN=C1 C02560 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.7 O=C(O)C1=CC=CN1 C05942 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.7 O=C(O)C1=CC=CO1 C01546 [0,0,0,0,0,0|2,1,0]=3 3 B8R1.7 O=C(O)C1=NCCC1 C03564 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.7 O=C(O)C1CCC=N1 C04322 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.7 O=[N+]([O-])C1=CC=CO1 C14414 [0,0,0,0,0,0|3,1,0]=4 6 B8R1.7 O=[N+]([O-])C1=NC=CN1 C14531 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.7 [C@@H]1(C(=O)O)CCC=N1 C03912 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.1 O=CC1=CC=CO1 C14279 [1,0,0,0,0,0|1,1,0]=3 9 B9R1.11 [*]SC(=O)C1=CC=CN1 C12483 [0,1,0,0,0,0|2,0,1]=4 10 B9R1.11 [*]SC(=O)C1=CC=CN1 C21567 [0,1,0,0,0,0|2,0,1]=4 11 B9R1.19 NS(=O)(=O)C1=CC=CS1 C14764 [0,1,0,0,0,0|3,0,0]=4 12 B9R1.35 O=C(O)C1=CC=C(O)N1 C19721 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.41 NC(=O)C1=C(N)NC=N1 C04051 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.41 NC1=C(C(=O)O)N=CN1 C05516 [0,1,0,0,0,0|3,0,0]=4 15 B7R0.5 C=C\C=C(\O)C(=O)O C00596 [0,0,1,0,0,0|2,1,0]=4 16 B9R1.6 C=C(C)C1=CC=CC=C1 C14395 [0,0,0,0,0,1|3,0,0]=4 17 B9R1.6 CC(=O)C1=CC=CC=C1 C07113 [0,0,0,0,0,1|2,0,0]=3 18 B9R1.6 NC(=O)C1=CC=CC=C1 C09815 [0,0,0,0,0,1|3,0,0]=4 19 B9R1.6 NC(=O)C1=CC=NC=C1 C02421 [0,0,0,0,0,1|3,0,0]=4 20 B9R1.6 NC(=O)C1=CN=CC=C1 C00153 [0,0,0,0,0,1|2,0,0]=3 21 B9R1.6 NC(=O)C1=CN=CC=N1 C01956 [0,0,0,0,0,1|2,0,0]=3 22 B9R1.6 NC(=O)C1=NC=CC=C1 C01950 [0,0,0,0,0,1|2,0,0]=3 23 B9R1.6 O=C(Cl)C1=CC=CC=C1 C19168 [0,0,0,0,0,1|3,0,0]=4 24 B9R1.6 O=C(O)C1=CC=CC=C1 C00180 [0,0,0,0,0,1|3,0,0]=4 25 B9R1.6 O=C(O)C1=CC=CC=C1 C00539 [0,0,0,0,0,1|3,0,0]=4 26 B9R1.6 O=C(O)C1=CC=NC=C1 C07446 [0,0,0,0,0,1|3,0,0]=4 27 B9R1.6 O=C(O)C1=CN=CC=C1 C00253 [0,0,0,0,0,1|2,0,0]=3 28 B9R1.6 O=C(O)C1=NC=CC=C1 C10164 [0,0,0,0,0,1|2,0,0]=3 29 B9R1.6 O=C(O)C1=NC=CN=C1 C19915 [0,0,0,0,0,1|2,0,0]=3 30 B9R1.6 O=C(O)C1=NCCSC1 C04445 [0,0,0,0,0,1|1,0,2]=4 31 B9R1.13 O=C(O)CC1=CC=CS1 C02595 [0,0,0,0,0,1|2,0,0]=3 32 B9R1.13 O=C(O)CC1=CNC=N1 C02835 [0,0,0,0,0,1|3,0,0]=4 33 B6R0.6 C\C=C\C=C\C=O C19249 [1,0,1,0,0,0|1,1,0]=4 34 B6R0.3 CC(=O)\C(C)=N\O C07509 [1,0,1,0,0,0|1,0,1]=4 35 B6R1.2 CC1=NC=CN1 C19261 [2,0,0,0,0,0|1,0,0]=3 36 B6R1.2 O=C1CC=CO1 C17602 [2,0,0,0,0,0|1,1,0]=4 37 B6R1.2 O=C1CNC=N1 C06195 [2,0,0,0,0,0|2,0,0]=4 38 B6R1.2 O=C1NC=CN1 C20382 [2,0,0,0,0,0|1,0,1]=4 39 B8R1.1 CC1=CC=C(C=O)O1 C11115 [1,1,0,0,0,0|1,1,0]=4 40 B8R1.8 NCCC1=NC=CS1 C17927 [1,1,0,0,0,0|0,0,1]=3 41 B8R1.8 O=CCC1=CNC=N1 C05130 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C06647 [0,1,0,0,0,1|2,0,0]=4 43 B10R1.13 CC(=O)C1=CC=C(O)C=C1 C10700 [0,1,0,0,0,1|2,0,0]=4 44 B10R1.13 O=C(O)C1=CN=C(O)C=C1 C01020 [0,1,0,0,0,1|2,0,0]=4 45 B10R1.15 COC(=O)C1=CC=CC=C1 C20645 [0,1,0,0,0,1|2,0,0]=4 46 B10R1.15 O=C(CO)C1=CC=CC=C1 C07189 [0,1,0,0,0,1|2,0,0]=4 47 B10R1.61 O=C(O)C1=NC=CC=C1O C18620 [0,1,0,0,0,1|2,0,0]=4 48 B8R1.5 N=C1C=CC=CC1=O C17500 [0,0,1,1,0,0|1,0,1]=4 49 B8R1.2 O=CC1=CC=CC=C1 C00193 [1,0,0,0,0,1|2,0,0]=4 50 B8R1.2 O=CC1=CC=CC=C1 C00261 [1,0,0,0,0,1|2,0,0]=4 51 B8R1.2 O=CC1=CN=CC=C1 C07327 [1,0,0,0,0,1|1,0,0]=3 52 B10R1.18 CC(=O)CC1=CC=CC=C1 C15512 [0,0,0,0,0,2|2,0,0]=4 53 B10R1.18 CC(=O)NC1=CC=CC=C1 C07565 [0,0,0,0,0,2|2,0,0]=4 54 B10R1.18 CC(=O)OC1=CC=CC=C1 C00548 [0,0,0,0,0,2|2,0,0]=4 55 B10R1.18 CC(=O)OC1=CC=CC=C1 C15583 [0,0,0,0,0,2|2,0,0]=4