0 B14R2.11645 CCC1=C2NC(=O)C(=O)C2=CC=C1 27688 [0,0,0,0,0,0|2,0,1]=3 1 B14R2.11645 COC1=C2NC(=O)C(=O)C2=CC=C1 15517 [0,0,0,0,0,0|1,0,1]=2 2 B13R2.573 COC1=C2C=NN(C)C2=CC=C1 28069 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.581 COC1=C2CC(=O)CC2=CC=C1 18021 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.581 COC1=CC=CC2=C1N=C(Cl)S2 21817 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.581 COC1=CC=CC2=C1N=C(N)S2 21722 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.581 COC1=CC=CC2=C1NC(=O)S2 21842 [1,0,0,0,0,0|1,0,0]=2 7 B13R2.581 N#CC1=C2NC(=O)CC2=CC=C1 7328 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.4825 O=C1NC2=C(Br)C=CC=C2C1=O 16675 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O 15537 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.4825 O=C1NC2=C(F)C=CC=C2C1=O 1955 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.4825 O=C1NC2=C(I)C=CC=C2C1=O 20658 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.435 COC1=CC=CC(C(=O)C=O)=C1 12325 [1,0,1,0,0,0|1,0,1]=4 13 B12R1.440 CCC1=CC=CC(C(=O)O)=C1N 27701 [1,0,1,0,0,0|2,0,0]=4 14 B12R1.440 COC1=C(N)C([N+](=O)[O-])=CC=C1 19661 [1,0,1,0,0,0|0,0,2]=4 15 B12R1.440 COC1=CC=CC(C(=O)O)=C1Br 30461 [1,0,1,0,0,0|2,0,0]=4 16 B12R1.440 COC1=CC=CC(C(=O)O)=C1C 4976 [1,0,1,0,0,0|2,0,0]=4 17 B12R1.440 COC1=CC=CC(C(=O)O)=C1Cl 28592 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.440 COC1=CC=CC(C(=O)O)=C1F 4964 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.440 COC1=CC=CC(C(=O)O)=C1N 4701 [1,0,1,0,0,0|1,0,0]=3 20 B12R1.440 COC1=CC=CC(C(C)=O)=C1N 29251 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.75 COC1=C(CC(C)=O)C=CC=C1 23387 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.75 COC1=C(NC(C)=O)C=CC=C1 3319 [1,0,1,0,0,0|1,0,0]=3 23 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 19669 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 28267 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.438 COC1=CC=CC(NC(=N)N)=C1 22163 [1,0,1,0,0,0|1,0,0]=3 26 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 3321 [1,0,1,0,0,0|1,0,0]=3 27 B12R1.438 COC1=CC=CC(OC(C)=O)=C1 3063 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.438 CSC1=CC(NC(C)=O)=CC=C1 10658 [1,0,1,0,0,0|1,1,0]=4 29 B12R1.1879 COC1=CC=CC(OC)=C1C=O 8226 [1,0,1,0,0,0|2,0,0]=4 30 B12R2.196 CC1=C2NC=C(Br)C2=CC=C1 8324 [2,0,0,0,0,0|2,0,0]=4 31 B12R2.315 CCC1=C2NC=CC2=CC=C1 7338 [2,0,0,0,0,0|2,0,0]=4 32 B12R2.315 COC1=C2C=CNC2=CC=C1 7433 [2,0,0,0,0,0|1,0,0]=3 33 B12R2.315 COC1=C2C=CNC2=NC=C1 19358 [2,0,0,0,0,0|2,0,0]=4 34 B12R2.315 COC1=C2NC=CC2=CC=C1 7434 [2,0,0,0,0,0|1,0,0]=3 35 B12R2.315 COC1=C2NC=CC2=CC=N1 18273 [2,0,0,0,0,0|2,0,0]=4 36 B12R2.202 CC1=C2NC(=O)NC2=NC=C1 18670 [2,0,0,0,0,0|1,0,0]=3 37 B12R2.202 CC1=CC2=C(O)C=CC=C2N1 9379 [2,0,0,0,0,0|2,0,0]=4 38 B12R2.202 CC1=CC=CC2=C1NC(=O)S2 21873 [2,0,0,0,0,0|1,0,0]=3 39 B12R2.202 O=C1CC2=C(Br)C=CC=C2N1 7952 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.202 O=C1CC2=CC=CC(Br)=C2N1 8934 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.202 O=C1CC2=CC=CC(Cl)=C2N1 8305 [2,0,0,0,0,0|2,0,0]=4 42 B12R2.202 O=C1CC2=CC=CC(F)=C2N1 8552 [2,0,0,0,0,0|2,0,0]=4 43 B12R2.202 O=C1NC2=C(C=CC=C2Cl)S1 21835 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.202 O=C1NC2=C(C=CC=C2F)S1 21838 [2,0,0,0,0,0|2,0,0]=4 45 B12R2.202 OC1=CC=CC2=C1NC(=S)O2 19276 [2,0,0,0,0,0|1,1,0]=4 46 B12R2.18 Cn1c(=O)oc2ccccc21 8685 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.18 O=C1NC2=CC=CC=C2C1=O 13609 [2,0,0,0,0,0|1,0,1]=4 48 B14R2.1072 COC1=C2NC=C(C=O)C2=CC=C1 7998 [1,1,0,0,0,0|1,0,1]=4 49 B14R2.535 O=C1CC2=C(CCO)C=CC=C2N1 14624 [1,1,0,0,0,0|2,0,0]=4 50 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(Br)C=C1 13603 [1,1,0,0,0,0|1,0,1]=4 51 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(Cl)C=C1 29243 [1,1,0,0,0,0|1,0,1]=4 52 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(F)C=C1 29121 [1,1,0,0,0,0|1,0,1]=4 53 B14R2.8737 CC1=C2NC(=O)C(=O)C2=CC=C1F 29125 [1,1,0,0,0,0|1,0,1]=4 54 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(Cl)=C1 13601 [1,1,0,0,0,0|1,0,1]=4 55 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(F)=C1 29123 [1,1,0,0,0,0|1,0,1]=4 56 B14R2.11684 COC1=C2CC(=O)COC2=CC=C1 18372 [0,0,1,1,0,0|2,0,0]=4 57 B14R2.3274 COC1=CC=C2NC(=O)C(=O)C2=C1 8000 [0,0,1,1,0,0|1,0,1]=4 58 B14R2.11689 COC1=C2C(C=O)=CNC2=CC=C1 7687 [0,0,1,1,0,0|2,0,0]=4 59 B12R1.77 COC(=O)C1=C(OC)C=CC=C1 20353 [0,0,1,0,1,0|2,0,0]=4 60 B12R1.77 COc1ccccc1C(=O)CN 20067 [0,0,1,0,1,0|2,0,0]=4