0 B8R1.7 CC(=O)C1=NN=CN1 BB17-0204 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.7 O=C(O)C1=NOC=C1 BB20-4533 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.7 O=[N+]([O-])C1=NC=CN1 BB12-3037 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.7 O=[N+]([O-])C1=NNC=C1 BB55-3830 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.7 O=[N+]([O-])C1=NNC=N1 BB12-3416 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.7 O=[N+]([O-])N1C=CC=N1 BB55-3955 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.1 CCC1=NNC=C1 BB12-3522 [1,0,0,0,0,0|2,0,1]=4 7 B7R1.1 CCC1=NNC=N1 BB12-3398 [1,0,0,0,0,0|2,0,1]=4 8 B7R1.1 COC1=NN=CS1 BB12-3086 [1,0,0,0,0,0|2,0,0]=3 9 B7R1.1 NCC1=NC=CN1 BB12-2726 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.11 COC(=O)C1=CNC=N1 BB20-4625 [0,1,0,0,0,0|2,0,0]=3 11 B9R1.11 C\C(=N\O)C1=CSC=N1 BB12-2088 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.11 NNC(=O)C1=CC=CO1 BB01-6372 [0,1,0,0,0,0|2,1,0]=4 13 B9R1.11 NNC(=O)C1=NC=CN1 BB01-6031 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.19 CC(C)(C)C1=NC=CN1 BB12-2884 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.35 CC(C)C1=NC(Br)=CN1 BB12-3496 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.35 CC1=CC(C(N)=O)=NO1 BB12-1502 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.35 CC1=CNC(C(=O)O)=N1 BB12-3671 [0,1,0,0,0,0|2,0,0]=3 18 B9R1.35 CC1=NC(C(=O)O)=CS1 BB01-2835 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.35 NC1=CC(C(=O)O)=NN1 BB55-3807 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.35 NC1=NNC(C(=O)O)=N1 BB53-2042 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.35 O=C(O)C1=NC(Cl)=NN1 BB53-2032 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.35 O=C1NN=C(C(=O)O)N1 BB12-3315 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.41 CC1=C(C(=O)O)N=CN1 BB12-2055 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.41 CC1=C(C(=O)O)N=CS1 BB26-0189 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.41 CC1=C(C(=O)O)SC=N1 BB12-3519 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.41 NC1=C(C(=O)O)SC=C1 BB53-1404 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.41 O=[N+]([O-])C1=C(Br)C=CS1 BB20-4586 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.6 NC(=S)C1=CN=CC=C1 BB12-3483 [0,0,0,0,0,1|2,1,0]=4 29 B9R1.6 NC(=S)C1=NC=CC=N1 BB12-3525 [0,0,0,0,0,1|2,1,0]=4 30 B9R1.6 NC(=S)C1=NC=CN=C1 BB12-3484 [0,0,0,0,0,1|2,1,0]=4 31 B9R1.13 CC(=O)CC1=CC=CS1 BB12-3710 [0,0,0,0,0,1|1,0,0]=2 32 B9R1.13 CC(C)CC1=NC=CN1 BB12-2831 [0,0,0,0,0,1|2,0,1]=4 33 B9R1.13 N=C(N)CC1=CC=CS1 BB12-3709 [0,0,0,0,0,1|3,0,0]=4 34 B6R1.2 CC1=NC=CS1 BB20-4630 [2,0,0,0,0,0|0,0,0]=2 35 B6R1.2 CC1=NNC=N1 BB12-3430 [2,0,0,0,0,0|2,0,0]=4 36 B6R1.2 NC1=NC=CS1 BB17-0298 [2,0,0,0,0,0|1,0,0]=3 37 B6R1.2 OC1=NN=CS1 BB12-3091 [2,0,0,0,0,0|1,0,1]=4 38 B8R1.1 CC1=CC(C=O)=NN1 BB12-3191 [1,1,0,0,0,0|2,0,0]=4 39 B8R1.1 CC1=CSC(CN)=N1 BB12-3520 [1,1,0,0,0,0|1,0,1]=4 40 B8R1.1 CC1=CSC(CO)=N1 BB12-3372 [1,1,0,0,0,0|0,0,2]=4 41 B8R1.1 CCC1=NC=C(Br)S1 BB17-0162 [1,1,0,0,0,0|0,0,1]=3 42 B8R1.1 CCC1=NN=C(Cl)S1 BB12-3125 [1,1,0,0,0,0|1,0,1]=4 43 B8R1.1 CCC1=NN=C(N)S1 BB56-1047 [1,1,0,0,0,0|1,0,1]=4 44 B8R1.1 CCC1=NN=C(O)S1 BB12-3108 [1,1,0,0,0,0|1,0,1]=4 45 B8R1.1 COC1=NN=C(C)S1 BB12-3036 [1,1,0,0,0,0|2,0,0]=4 46 B8R1.1 COC1=NN=C(N)S1 BB12-3089 [1,1,0,0,0,0|2,0,0]=4 47 B8R1.1 COC1=NN=C(O)S1 BB12-3034 [1,1,0,0,0,0|2,0,0]=4 48 B8R1.11 CSC1=NC=CN1C BB26-0699 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [0,1,0,0,0,1|2,0,0]=4 50 B10R1.13 NC(=O)C1=CC=C(N)N=N1 BB01-7655 [0,1,0,0,0,1|2,0,0]=4 51 B10R1.13 NC(=O)C1=NNC(=O)C=C1 BB10-0123 [0,1,0,0,0,1|2,0,0]=4 52 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BB01-7654 [0,1,0,0,0,1|2,0,0]=4 53 B10R1.13 O=C(Cl)C1=NN=C(Cl)C=C1 BB10-0141 [0,1,0,0,0,1|2,0,0]=4 54 B10R1.13 O=C(O)C1=CC=C(O)C=N1 BB56-1848 [0,1,0,0,0,1|2,0,0]=4 55 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BB12-2030 [0,1,0,0,0,1|2,0,0]=4 56 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [0,1,0,0,0,1|1,0,0]=3 57 B10R1.15 COC(=N)C1=NC=CN=C1 BB12-1722 [0,1,0,0,0,1|2,0,0]=4 58 B10R1.15 COC(=O)C1=CC=NC=C1 BB20-4674 [0,1,0,0,0,1|2,0,0]=4 59 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [0,1,0,0,0,1|2,0,0]=4 60 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 BB12-3503 [0,1,0,0,0,1|2,0,0]=4 61 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 BB20-4612 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB17-0499 [0,1,0,0,0,1|2,0,0]=4 63 B10R1.23 NC(C(=O)O)C1=CC=CS1 BB56-0352 [0,1,0,0,0,1|2,0,0]=4 64 B10R1.27 C\C(C=O)=C/C1=CC=CO1 BB17-1881 [0,1,0,0,0,1|1,1,0]=4 65 B10R1.27 O=C(CCl)NC1=NC=NN1 BB10-1162 [0,1,0,0,0,1|2,0,0]=4 66 B10R1.54 CC1=CC=C(CC(=O)O)S1 BB56-0024 [0,1,0,0,0,1|2,0,0]=4 67 B10R1.54 O=C(O)CC1=CC=C(Cl)S1 BB56-1329 [0,1,0,0,0,1|2,0,0]=4 68 B10R1.11 CCOC(=O)C1=CNC=N1 BB01-7910 [0,2,0,0,0,0|2,0,0]=4 69 B10R1.149 CNC(=O)C1=C(N)C=CS1 BB53-1658 [0,2,0,0,0,0|1,0,0]=3 70 B10R1.149 COC(=O)C1=C(Br)C=CS1 BB20-4653 [0,2,0,0,0,0|1,0,0]=3 71 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 BB12-3985 [0,2,0,0,0,0|2,0,0]=4 72 B8R1.4 O=C1C=NC=C(Cl)N1 BB12-1098 [0,0,1,1,0,0|2,0,0]=4 73 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [0,0,0,0,0,2|1,0,0]=3 74 B10R1.66 CC(=O)\C=C\C1=CC=CO1 BB12-2961 [0,0,0,0,0,2|1,1,0]=4