0 B12R2.252 O=C(O)C1=CC2=C(C=CO2)N1 BB56-1783 [0,0,0,0,0,0|0,0,0]=0 1 B12R2.252 O=C(O)C1=CC2=C(C=CS2)N1 BB01-2518 [0,0,0,0,0,0|0,1,0]=1 2 B12R2.252 O=C(O)C1=CC2=C(CCC2)S1 BB12-1787 [0,0,0,0,0,0|2,0,2]=4 3 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)O1 BB56-1784 [0,1,0,0,0,0|0,0,0]=1 4 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)S1 BB56-2140 [0,1,0,0,0,0|0,1,0]=2 5 B13R2.531 COC(=O)C1=CC2=C(N1)SC=C2 BB01-2516 [0,1,0,0,0,0|2,0,0]=3 6 B13R2.531 COC(=O)C1=CC2=C(N=CS2)S1 BB58-3284 [0,1,0,0,0,0|2,1,0]=4 7 B13R2.531 NNC(=O)C1=CC2=C(C=CO2)N1 BB01-2863 [0,1,0,0,0,0|1,0,0]=2 8 B13R2.531 NNC(=O)C1=CC2=C(C=CS2)N1 BB58-3728 [0,1,0,0,0,0|1,1,0]=3 9 B13R2.2334 CN1C(C(=O)O)=CC2=C1C=CS2 BB90-0053 [0,1,0,0,0,0|0,1,0]=2 10 B11R1.35 C\C(=C\C1=CC=CO1)[N+](=O)[O-] BB57-4623 [0,0,1,0,0,0|2,0,1]=4 11 B11R1.35 NC(CC1=CC=CS1)C(=O)O BB57-4844 [0,0,1,0,0,0|0,1,2]=4 12 B13R2.430 CC(=O)C1=CC=C2NC=CC2=C1 BB57-4090 [0,0,0,0,0,1|3,0,0]=4 13 B13R2.430 NC(=O)C1=CC=C2C=CNC2=C1 BB17-1861 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.430 O=C(O)C1=CC=C2C=NNC2=C1 BB01-2605 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.430 O=C(O)C1=CC=C2N=CNC2=C1 BB12-2808 [0,0,0,0,0,1|3,0,0]=4 16 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 BB12-3811 [0,0,0,0,0,1|2,0,0]=3 17 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 BB01-7402 [0,0,0,0,0,1|3,0,0]=4 18 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 BB50-0386 [0,0,0,0,0,1|2,0,0]=3 19 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 BB31-7905 [0,0,0,0,0,1|2,0,0]=3 20 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 BB05-1015 [0,0,0,0,0,1|2,0,1]=4 21 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 BB12-2951 [0,0,0,0,0,1|2,0,1]=4 22 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)N1 BB54-4264 [0,0,0,0,0,1|2,0,0]=3 23 B13R2.435 O=C(O)C1=NC2=CC=CN=C2N1 BB12-3038 [0,0,0,0,0,1|2,0,0]=3 24 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 BB05-0427 [0,0,0,0,0,1|2,0,1]=4 25 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 BB57-3862 [0,0,0,0,0,1|2,0,1]=4 26 B10R1.27 C\C(C=O)=C/C1=CC=CO1 BB17-1881 [1,0,1,0,0,0|1,0,0]=3 27 B10R1.66 CC(=O)\C=C\C1=CC=CO1 BB12-2961 [1,0,1,0,0,0|1,0,0]=3 28 B10R1.31 O=C(O)C1=CC=C(CO)O1 BB55-3457 [1,0,1,0,0,0|1,0,1]=4 29 B14R2.601 CC1=CC2=CC(C(=O)O)=CC=C2O1 BB12-1983 [0,1,0,0,0,1|1,0,0]=3 30 B14R2.5719 CN1C=CC2=CC(C(=O)O)=CC=C21 BB53-1591 [0,1,0,0,0,1|2,0,0]=4 31 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 BB57-0315 [0,1,0,0,0,1|1,0,0]=3 32 B14R2.450 CC1=C(C(N)=O)NC2=CC=CC=C21 BB55-7786 [0,1,0,0,0,1|2,0,0]=4 33 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2N1 BB12-2295 [0,1,0,0,0,1|1,0,0]=3 34 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 BB11-0045 [0,1,0,0,0,1|1,0,0]=3 35 B14R2.4529 CC1=CC2=C(C=C1)N=C(C(=O)O)N2 BB12-2742 [0,1,0,0,0,1|2,0,0]=4 36 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 BB56-1149 [0,1,0,0,0,1|1,0,0]=3 37 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 BB01-5002 [0,1,0,0,0,1|1,0,0]=3 38 B14R2.4529 NC1=CC=C2SC(C(=O)O)=CC2=C1 BB57-7042 [0,1,0,0,0,1|2,0,0]=4 39 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 BB54-2925 [0,1,0,0,0,1|1,0,0]=3 40 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 BB58-1551 [0,1,0,0,0,1|2,0,0]=4 41 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)S1 BB58-1540 [0,1,0,0,0,1|2,0,0]=4 42 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)S1 BB58-1539 [0,1,0,0,0,1|2,0,0]=4 43 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 BB54-1066 [0,1,0,0,0,1|2,0,0]=4 44 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 BB20-4570 [0,1,0,0,0,1|1,0,0]=3 45 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)C=C2N1 BB56-0738 [0,1,0,0,0,1|1,0,0]=3 46 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2N1 BB56-0739 [0,1,0,0,0,1|1,0,0]=3 47 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2S1 BB56-1661 [0,1,0,0,0,1|2,0,0]=4 48 B14R2.4529 O=C(O)C1=CC2=CC=C(I)C=C2N1 BB56-1734 [0,1,0,0,0,1|1,0,0]=3 49 B14R2.4529 O=C(O)C1=NC2=CC=C(Cl)C=C2N1 BB54-3903 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.7969 CC1=C2C=C(C(=O)O)NC2=CC=C1 BB56-0399 [0,1,0,0,0,1|1,0,0]=3 51 B14R2.7969 N1C(C(=O)O)=CC2=CC=CC(C)=C21 BB54-4230 [0,1,0,0,0,1|1,0,0]=3 52 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2N1 BB56-0695 [0,1,0,0,0,1|1,0,0]=3 53 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)S1 BB26-0840 [0,1,0,0,0,1|2,0,0]=4 54 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 BB56-1354 [0,1,0,0,0,1|1,0,0]=3 55 B14R2.10815 CC1=CC2=C(C=C(C(=O)NN)N2)O1 BB01-1300 [0,2,0,0,0,0|1,0,0]=3 56 B14R2.10815 COC(=O)C1=CC2=C(C=C(C)O2)N1 BB51-1066 [0,2,0,0,0,0|0,0,0]=2 57 B14R2.10815 COC(=O)C1=CC2=C(C=C(C)S2)N1 BB51-1183 [0,2,0,0,0,0|0,1,0]=3 58 B14R2.839 CCOC(=O)C1=CC2=C(N1)SC=C2 BB01-2519 [0,2,0,0,0,0|2,0,0]=4 59 B14R2.4281 CCN1C(C(=O)O)=CC2=C1C=CO2 BB01-3562 [0,2,0,0,0,0|0,0,0]=2 60 B14R2.4281 CCN1C(C(=O)O)=CC2=C1C=CS2 BB90-0054 [0,2,0,0,0,0|0,1,0]=3 61 B10R1.23 NC(C(=O)O)C1=CC=CS1 BB56-0352 [0,0,1,0,1,0|0,1,1]=4 62 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 BB55-4698 [0,0,1,0,0,1|2,0,0]=4 63 B12R1.125 CC1=C(\C=C\C(=O)O)C=CC=C1 BB56-1289 [0,0,1,0,0,1|2,0,0]=4 64 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=N1 BB54-4987 [0,0,1,0,0,1|2,0,0]=4 65 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 BB55-3550 [0,0,1,0,0,1|1,0,0]=3 66 B12R1.226 O=C(O)\C=C\C1=CC(Cl)=CC=C1 BB17-0708 [0,0,1,0,0,1|2,0,0]=4 67 B12R1.226 O=C(O)\C=C\C1=CC(I)=CC=C1 BB56-2320 [0,0,1,0,0,1|2,0,0]=4 68 B12R2.32 O=CC1=NC2=CC=CC=C2N1 BB55-6325 [1,0,0,0,0,1|2,0,0]=4 69 B12R2.32 OCC1=CC2=CC=CN=C2N1 BB58-3263 [1,0,0,0,0,1|1,0,1]=4