0 B9R1.12 CCNCC1=CC=CO1 BB01-4781 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.12 NCCCC1=CC=CO1 BB01-5828 [0,0,0,0,0,0|1,0,3]=4 2 B9R1.12 O=C=NCC1=CC=CS1 BB12-1538 [0,0,0,0,0,0|1,1,2]=4 3 B8R1.8 NCCC1=CC=CO1 BB01-5388 [1,0,0,0,0,0|1,0,2]=4 4 B8R1.8 O\N=C\C1=CC=CN1 BB50-0407 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.11 N#C\N=C(\N)C1=CC=CO1 BB53-1704 [0,1,0,0,0,0|2,0,1]=4 6 B10R1.16 CC1=CC=C(\C=C\C=O)O1 BB17-2261 [0,1,0,0,0,0|0,0,0]=1 7 B10R1.27 CCC(=O)CC1=CC=CO1 BB54-3617 [0,1,0,0,0,0|1,0,2]=4 8 B10R1.27 C\C(C=O)=C/C1=CC=CO1 BB17-1881 [0,1,0,0,0,0|0,0,0]=1 9 B10R1.66 CC(=O)\C=C\C1=CC=CO1 BB12-2961 [0,1,0,0,0,0|0,0,0]=1 10 B10R1.66 NC(=O)NCC1=CC=CO1 BB01-7602 [0,1,0,0,0,0|1,0,1]=3 11 B10R1.66 O=C(O)CCC1=CC=NO1 BB54-1995 [0,1,0,0,0,0|1,0,2]=4 12 B10R1.66 O=[N+]([O-])CCC1=CC=CO1 BB01-2590 [0,1,0,0,0,0|1,0,2]=4 13 B10R2.7 C1=CC2=C(N=C1)NC=C2 BB12-3415 [0,0,0,1,0,0|3,0,0]=4 14 B10R2.7 C1=CC2=NC=CN2C=C1 BB56-1794 [0,0,0,1,0,0|3,0,0]=4 15 B10R2.7 C1=CC=C2NC=NC2=C1 BB01-7424 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.17 NC\C=C\C1=CC=CC=C1 BB12-1612 [0,0,0,0,0,1|2,0,1]=4 17 B7R1.1 O=CC1=CN=CS1 BB55-8342 [2,0,0,0,0,0|1,1,0]=4 18 B7R1.1 O=CC1=CSC=N1 BB57-0141 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.11 C\C(=N/O)C1=CC=CO1 BB05-0882 [1,1,0,0,0,0|1,0,1]=4 20 B9R1.11 C\C(=N\O)C1=CC=CO1 BB01-6608 [1,1,0,0,0,0|1,0,1]=4 21 B9R1.11 NNC(=O)C1=CC=CO1 BB01-6372 [1,1,0,0,0,0|2,0,0]=4 22 B9R1.13 CC(=O)CC1=CC=CS1 BB12-3710 [1,1,0,0,0,0|0,1,1]=4 23 B9R1.13 O=C(O)CC1=CC=CN1 BB58-0483 [1,1,0,0,0,0|1,0,1]=4 24 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 BB12-1495 [0,1,0,0,0,1|1,0,1]=4 25 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 BB17-2230 [0,1,0,0,0,1|1,0,0]=3 26 B11R1.91 O=C(O)\C=C\C1=NC=CN=C1 BB57-7143 [0,1,0,0,0,1|1,0,0]=3 27 B11R1.77 CC(=O)CC(=O)C1=CC=CS1 BB54-4313 [0,2,0,0,0,0|0,1,1]=4 28 B11R1.75 CC1=CC=C(\C=C\[N+](=O)[O-])O1 BB58-3354 [0,2,0,0,0,0|1,0,0]=3 29 B11R1.75 NC(=O)\C=C\C1=CC=C(Br)S1 BB17-2532 [0,2,0,0,0,0|0,1,0]=3 30 B11R1.75 O=C(O)\C=C\C1=CC=C(Br)S1 BB17-2524 [0,2,0,0,0,0|0,1,0]=3 31 B11R1.25 NCC(=O)NCC1=CC=CO1 BB53-1842 [0,2,0,0,0,0|1,0,1]=4 32 B11R1.35 C\C(=C\C1=CC=CO1)[N+](=O)[O-] BB57-4623 [0,2,0,0,0,0|1,0,0]=3 33 B11R1.90 CN1N=CC=C1\C=C\C(=O)O BB05-3478 [0,2,0,0,0,0|2,0,0]=4 34 B9R1.2 C=CC1=CC(O)=CC=C1 BB58-0330 [0,0,1,1,0,0|1,0,0]=3 35 B9R1.2 N#CC1=CC(O)=CC=C1 BB20-4617 [0,0,1,1,0,0|1,0,1]=4 36 B9R1.69 OC1=CC=C(F)C(Cl)=C1 BB12-4695 [0,0,1,1,0,0|2,0,0]=4 37 B9R1.21 O=CC1=CSC(C=O)=C1 BB54-2750 [0,0,1,1,0,0|1,1,0]=4 38 B11R2.2 C1=COC(C2=NN=CN2)=C1 BB12-1236 [0,1,0,1,0,0|2,0,0]=4 39 B11R2.2 C1=COC(C2=NNC=N2)=C1 BB12-1211 [0,1,0,1,0,0|2,0,0]=4 40 B11R2.106 BrC1=C2OC=NC2=NC=C1 BB26-0146 [0,1,0,1,0,0|2,0,0]=4 41 B11R2.106 BrC1=C2OC=NC2=NC=C1 BB58-1429 [0,1,0,1,0,0|2,0,0]=4 42 B11R2.106 ClC1=C2SC=CC2=NC=C1 BB57-3978 [0,1,0,1,0,0|1,1,0]=4 43 B11R2.106 ClC1=NC=CC2=C1C=CS2 BB01-2455 [0,1,0,1,0,0|1,1,0]=4 44 B11R2.106 ClC1=NC=CC2=C1OC=C2 BB90-0078 [0,1,0,1,0,0|2,0,0]=4 45 B11R2.106 O=C1C=CNC2=C1C=CS2 BB32-3299 [0,1,0,1,0,0|0,1,0]=3 46 B11R2.106 O=C1NC=CC2=C1C=CO2 BB01-2448 [0,1,0,1,0,0|0,0,0]=2 47 B11R2.106 O=C1NC=CC2=C1NC=C2 BB58-5431 [0,1,0,1,0,0|2,0,0]=4 48 B11R2.106 O=C1NN=CC2=CC=CN12 BB57-4148 [0,1,0,1,0,0|2,0,0]=4 49 B11R2.10 CC1=NC2=CC=CC=C2O1 BB12-1505 [0,1,0,1,0,0|2,0,0]=4 50 B11R2.10 NC1=NC2=CC=CC=C2O1 BB05-4615 [0,1,0,1,0,0|2,0,0]=4 51 B11R2.10 NC1=NC2=NC=CC=C2O1 BB57-6516 [0,1,0,1,0,0|2,0,0]=4 52 B11R2.10 O=C1NC2=CC=CC=C2O1 BB01-7355 [0,1,0,1,0,0|2,0,0]=4 53 B11R2.10 S=C1NC2=NC=CC=C2O1 BB12-2264 [0,1,0,1,0,0|2,0,0]=4 54 B11R2.10 SC1=NC2=NC=CC=C2O1 BB12-1574 [0,1,0,1,0,0|2,0,0]=4 55 B11R2.36 BrC1=CN=C2N=COC2=C1 BB58-1441 [0,1,0,1,0,0|2,0,0]=4 56 B11R2.36 CC1=CC2=C(C=CN2)C=C1 BB01-7867 [0,1,0,1,0,0|2,0,0]=4 57 B11R2.36 NC1=CC2=C(C=CN2)C=C1 BB54-3214 [0,1,0,1,0,0|2,0,0]=4 58 B11R2.36 OC1=CC2=C(C=C1)N=CO2 BB54-5551 [0,1,0,1,0,0|2,0,0]=4