0 B14R2.22 CC1=CC=CC(C2=NOC(N)=C2)=C1 4H56-1-591 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.22 NC1=CC(C2=CC=CC(Br)=C2)=NO1 4H30-9-04 [0,0,0,0,0,0|2,1,1]=4 2 B14R2.22 NC1=CC=CC(C2CNC(=O)C2)=C1 4H30-1-5Q [0,0,0,0,0,0|4,0,0]=4 3 B14R2.22 NC1=NC(C2=CC=CC(Br)=C2)=CS1 7H70-9-40 [0,0,0,0,0,0|0,2,2]=4 4 B14R2.22 NC1=NN=C(C2=CC(Cl)=CC=C2)O1 4H30-5-1R [0,0,0,0,0,0|3,0,1]=4 5 B14R2.22 O=C1C=C(C2=CC=CC(F)=C2)CO1 2H25-3-0D [0,0,0,0,0,0|2,1,1]=4 6 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 4H44-1-17 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.10 ClC1=NC(C2=CC=CC=C2)=CO1 4H47-5-0E [1,0,0,0,0,0|1,0,2]=4 8 B13R2.10 ClC1=NC(C2=CC=CC=C2)=NO1 4H56-5-BL [1,0,0,0,0,0|2,0,1]=4 9 B13R2.10 NC1=NC(C2=CC=CC=C2)=CN1 3H30-1-GL [1,0,0,0,0,0|1,0,2]=4 10 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 7H30-1-03 [1,0,0,0,0,0|0,1,2]=4 11 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 3H30-1-PK [1,0,0,0,0,0|2,0,1]=4 12 B13R2.10 NC1=NOC(C2=CC=CC=C2)=N1 4H30-1-BJ [1,0,0,0,0,0|2,0,1]=4 13 B13R2.10 O=C1CCC(C2=CC=CC=C2)O1 2H25-1-2C [1,0,0,0,0,0|3,0,0]=4 14 B13R2.10 OC1=NC(C2=CC=CC=C2)=CO1 4H01-1-9P [1,0,0,0,0,0|1,0,2]=4 15 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 4H56-1-919 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 8H67-1-S2 [1,0,0,0,0,0|1,0,1]=3 17 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 7H67-1-S2 [1,0,0,0,0,0|1,1,1]=4 18 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 8H67-1-R3 [1,0,0,0,0,0|1,0,1]=3 19 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 7H67-1-R1 [1,0,0,0,0,0|1,1,1]=4 20 B13R2.13 ClC1=CC(N2C=CC=N2)=CC=C1 3H32-5-LR [1,0,0,0,0,0|2,0,1]=4 21 B13R2.13 ClC1=CC=CC(C2CCCN2)=C1 3631-5-0E [1,0,0,0,0,0|1,0,2]=4 22 B13R2.13 FC1=CC=CC(C2=NOC=N2)=C1 4H47-3-0T [1,0,0,0,0,0|1,1,1]=4 23 B15R2.14 NCC1=CSC(C2=CC=CC(Cl)=C2)=N1 8H30-5-01 [0,1,0,0,0,0|2,0,1]=4 24 B15R2.14 NCC1=NC(C2=CC=CC(F)=C2)=NO1 4H30-3-1G [0,1,0,0,0,0|1,1,1]=4 25 B15R2.41345 NC1=CC(C2=CC(Cl)=CC(Cl)=C2)=NO1 4H56-5-JQ [0,1,0,0,0,0|2,0,1]=4 26 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 2623-3-2G [0,0,1,0,0,0|2,1,0]=4 27 B13R1.15 COC(=O)CCC1=CC=CC(O)=C1 2629-1-3P [0,0,1,0,0,0|3,0,0]=4 28 B13R1.15 COC(=O)\C=C\C1=CC=CC(Cl)=C1 2624-5-01 [0,0,1,0,0,0|2,0,1]=4 29 B13R1.147 NC(CC(=O)O)C1=CC=CC(Cl)=C1 4657-5-26 [0,0,1,0,0,0|3,0,0]=4 30 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(Cl)=C1 4630-5-R0 [0,0,1,0,0,0|3,0,0]=4 31 B13R2.151 O=C1CC(C2=CC(Br)=CC=C2)C1 2717-9-01 [0,0,0,0,1,0|2,1,0]=4 32 B15R2.30 N[C@@H]1CCC[C@H](C2=CC=CC(Cl)=C2)C1 3630-5-0L [0,0,0,0,0,1|2,0,1]=4 33 B12R1.226 C=C(C)CCC1=CC=CC(Cl)=C1 1900-5-11 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.226 N\C([NH3+])=N/CC1=CC=CC(Br)=C1 8741-9-01 [1,0,1,0,0,0|1,1,0]=4 35 B12R1.252 N=C(N)NCCC1=CC=CC=C1 3641-5-00 [1,0,1,0,0,0|1,0,0]=3 36 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 4H56-1-06D [2,0,0,0,0,0|0,0,2]=4 37 B14R1.687 N=C(N)SCCC1=CC=C(Cl)C(Cl)=C1 7667-5-27 [0,1,1,0,0,0|0,1,0]=3 38 B14R2.8 NCC1=NC(C2=CC=CC=C2)=NO1 4H30-1-4B [1,1,0,0,0,0|1,0,1]=4 39 B14R2.8 NCC1=NC(C2=CC=CC=C2)=NO1 4H56-5-BA [1,1,0,0,0,0|1,0,1]=4 40 B14R2.20 NC1=NCC(C2=CC=C(Br)C=C2)O1 4H30-9-06 [1,1,0,0,0,0|2,0,0]=4 41 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 2621-5-49 [0,0,1,1,0,0|2,0,0]=4 42 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 2723-1-0R [0,0,1,0,1,0|2,0,0]=4 43 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 2723-3-05 [0,0,1,0,1,0|1,1,0]=4 44 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 2623-1-1G [0,0,1,0,1,0|2,0,0]=4 45 B12R1.225 CC(C(=O)O)C1=CC=CC(Cl)=C1 2621-5-0U [0,0,1,0,1,0|1,0,0]=3 46 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 4657-5-R9 [0,0,1,0,1,0|2,0,0]=4 47 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(Cl)=C1 4657-5-S9 [0,0,1,0,1,0|2,0,0]=4 48 B12R1.225 O=C(O)C(O)C1=CC=CC(Cl)=C1 2629-5-0F [0,0,1,0,1,0|2,0,0]=4 49 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 4H48-1-GG [1,0,0,0,1,0|1,0,1]=4 50 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 3630-5-38 [0,0,0,0,2,0|0,0,1]=3 51 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 8H67-1-S3 [1,0,0,0,0,1|1,0,1]=4 52 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 8H67-1-R2 [1,0,0,0,0,1|1,0,1]=4 53 B14R2.68 NC1=NN=C(C2=CC=CC=C2)CS1 7H30-5-14 [1,0,0,0,0,1|0,1,1]=4 54 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 4H25-1-S1 [1,0,0,0,0,1|1,0,1]=4