0 B9R1.41 CC1=C(C(=O)O)N=CN1 BB12-2055 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.41 CC1=C(C(=O)O)N=CS1 BB26-0189 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.41 CC1=C(C(=O)O)SC=N1 BB12-3519 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.41 NC1=C(C(=O)O)SC=C1 BB53-1404 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.7 CC(=O)C1=NN=CN1 BB17-0204 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.7 CC(C)C1=CC=NN1 BB12-3679 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.7 O=C(O)C1=CN=NN1 BB90-0079 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.7 O=C(O)C1=NOC=C1 BB20-4533 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.7 O=[N+]([O-])C1=NC=CN1 BB12-3037 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.11 CC1=C(C=O)NC=N1 BB12-3119 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.11 CN1C=CC=C1CO BB90-0093 [1,0,0,0,0,0|0,0,2]=3 11 B8R1.11 CN1N=CC=C1C=O BB55-3814 [1,0,0,0,0,0|1,0,0]=2 12 B8R1.11 CSC1=NC=CN1C BB26-0699 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.39 CCN1N=CC=C1C(=O)Cl BB55-3860 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 BB12-3985 [0,1,0,0,0,0|3,0,0]=4 15 B10R1.149 CN1C=CC=C1\C(N)=N/O BB12-3493 [0,1,0,0,0,0|1,0,1]=3 16 B10R1.149 CNC(=O)C1=C(N)C=CS1 BB53-1658 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.149 COC(=O)C1=C(Br)C=CS1 BB20-4653 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.149 COC(=O)C1=C(C)N=CN1 BB12-3127 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.149 COC(=O)C1=CSN=C1C BB12-1733 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.192 CC(=O)C1=C(C)OC=C1C BB17-2351 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.192 CC(=O)C1=C(N)NN=C1C BB12-4384 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.192 CN1N=CC(Br)=C1C(=O)Cl BB55-4163 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.192 CN1N=CC(Br)=C1C(=O)O BB55-3833 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.192 CN1N=CC(Cl)=C1C(=O)O BB12-1894 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.192 CN1N=CC(I)=C1C(=O)O BB12-1893 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.192 CN1N=CC(N)=C1C(N)=O BB55-3929 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.61 NC1=C(C(=O)O)C=CN=C1 BB12-1728 [0,0,0,0,0,1|3,0,0]=4 28 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 BB12-3503 [0,0,0,0,0,1|3,0,0]=4 29 B9R1.11 COC(=O)C1=CNC=N1 BB20-4625 [1,1,0,0,0,0|1,0,1]=4 30 B9R1.11 NNC(=O)C1=CC=CO1 BB01-6372 [1,1,0,0,0,0|2,0,0]=4 31 B9R1.11 NNC(=O)C1=NC=CN1 BB01-6031 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.35 CC1=CNC(C(=O)O)=N1 BB12-3671 [1,1,0,0,0,0|2,0,0]=4 33 B9R1.35 O=C1NC=C(C(=O)O)N1 BB26-0164 [1,1,0,0,0,0|2,0,0]=4 34 B9R1.22 CC1=CC(C=O)=C(C)N1 BB17-1648 [1,1,0,0,0,0|2,0,0]=4 35 B9R1.33 CN1C=CC=C1CCO BB90-0117 [1,1,0,0,0,0|0,0,1]=3 36 B9R1.33 CN1C=CC=C1\C=N\O BB20-3210 [1,1,0,0,0,0|0,0,1]=3 37 B9R1.33 CN1C=CN=C1\C=N\O BB20-3245 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.53 CNC1=NC=CC=C1C(=O)O BB12-3552 [0,1,0,0,0,1|2,0,0]=4 39 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 BB12-1453 [0,1,0,0,0,1|2,0,0]=4 40 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 BB12-2243 [0,1,0,0,0,1|2,0,0]=4 41 B11R1.166 CC(=O)C1=CNC(=O)N=C1C BB53-1707 [0,1,0,0,0,1|2,0,0]=4 42 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 BB53-1900 [0,1,0,0,0,1|2,0,0]=4 43 B11R1.222 COC(=O)C1=C(S)C=CC=C1 BB12-1508 [0,1,0,0,0,1|2,0,0]=4 44 B11R1.222 COC(=O)C1=NC=CC=C1O BB17-0205 [0,1,0,0,0,1|2,0,0]=4 45 B11R1.228 COC(=O)CC1=CC=CN1C BB12-2253 [0,1,0,0,0,1|0,0,0]=2 46 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 BB12-2899 [0,1,0,0,0,1|2,0,0]=4 47 B11R1.23 CC1=CC(C(=O)NN)=CC=C1 BB12-2533 [0,1,0,0,0,1|2,0,0]=4 48 B11R1.59 CCN1N=CC=C1C(=O)NN BB55-3818 [0,2,0,0,0,0|2,0,0]=4 49 B11R1.471 CCN1N=CC(Cl)=C1C(=O)Cl BB55-4164 [0,2,0,0,0,0|2,0,0]=4 50 B11R1.225 CC1=CC(C(=O)CCl)=C(C)S1 BB12-1786 [0,2,0,0,0,0|2,0,0]=4 51 B11R1.225 CC1=NN(C)C(C(=O)NN)=C1 BB55-4194 [0,2,0,0,0,0|2,0,0]=4 52 B11R1.865 CC1=CC=C(\C(N)=N\O)N1C BB01-3928 [0,2,0,0,0,0|1,0,1]=4 53 B11R1.875 CNC(=O)C1=C(N)C=NN1C BB55-3946 [0,2,0,0,0,0|1,0,0]=3 54 B11R1.875 COC(=O)C1=C(Br)C=NN1C BB55-4080 [0,2,0,0,0,0|1,0,0]=3 55 B11R1.875 COC(=O)C1=C(C)NC=C1C BB12-2153 [0,2,0,0,0,0|2,0,0]=4 56 B9R1.2 CC1=CC(NN)=CC=C1 BB56-2532 [0,0,1,1,0,0|2,0,0]=4 57 B9R1.2 CNC1=CC(F)=CC=C1 BB01-7291 [0,0,1,1,0,0|1,0,1]=4 58 B9R1.15 CNC1=C(C)C=CC=C1 BB01-7286 [0,0,1,1,0,0|1,0,0]=3 59 B9R1.15 CNC1=CC=CC=C1N BB12-2750 [0,0,1,1,0,0|1,0,1]=4 60 B9R1.15 CNC1=CC=CN=C1N BB12-1643 [0,0,1,1,0,0|2,0,0]=4 61 B9R1.15 COC1=CC=CN=C1C BB17-0165 [0,0,1,1,0,0|2,0,0]=4 62 B11R2.106 O=C1NN=CN2C=CC=C12 BB01-0510 [0,1,0,1,0,0|1,0,1]=4 63 B11R1.86 CC(=O)NC1=CC=CC=C1S BB12-2835 [0,0,0,0,0,2|2,0,0]=4 64 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 BB12-2255 [0,0,0,0,0,2|2,0,0]=4