0 B14R2.22 NC1=NC(C2=CC(O)=CC=C2)=CS1 30864 [0,0,0,0,0,0|1,1,2]=4 1 B14R2.22 NC1=NC(C2=CC=CC(Br)=C2)=CS1 86943 [0,0,0,0,0,0|0,2,2]=4 2 B14R2.22 NC1=NC(C2=CC=CC(Cl)=C2)=CS1 86944 [0,0,0,0,0,0|0,2,2]=4 3 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 AR2465 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.10 NC1=NC(C2=CC=CC=C2)=CN1 S11474 [1,0,0,0,0,0|1,0,2]=4 5 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 84303 [1,0,0,0,0,0|0,1,2]=4 6 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 F17287 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.10 NC1=NSC(C2=CC=CC=C2)=N1 D95580 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)O1 D92106 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 65711 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 22501 [1,0,0,0,0,0|1,0,1]=3 11 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 22502 [1,0,0,0,0,0|1,0,1]=3 12 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 71239 [1,0,0,0,0,0|1,0,1]=3 13 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 31367 [1,0,0,0,0,0|1,0,2]=4 14 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 32526 [1,0,0,0,0,0|1,0,2]=4 15 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 N10477 [1,0,0,0,0,0|1,0,2]=4 16 B15R2.299 NC1=NC(C2=CC(F)=C(F)C=C2)=CS1 86942 [0,1,0,0,0,0|0,1,2]=4 17 B13R1.15 COC(=O)CCC1=CC=CC(Br)=C1 AB7481 [0,0,1,0,0,0|2,1,0]=4 18 B13R1.15 COC(=O)CCC1=CC=CC(Cl)=C1 AB7499 [0,0,1,0,0,0|2,1,0]=4 19 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 61006 [0,0,1,0,0,0|3,0,0]=4 20 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 61007 [0,0,1,0,0,0|3,0,0]=4 21 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 61008 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.13 NC[C@@H](CO)C1=CC=CC(F)=C1 61120 [1,0,1,0,0,0|0,0,1]=3 23 B12R1.27 COC(=O)CCC1=CC=CC=C1 AC8659 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 61032 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.252 NC(=S)NCCC1=CC=CC=C1 D85871 [1,0,1,0,0,0|2,0,0]=4 26 B14R1.825 COC(=O)CCC1=CC(F)=CC(F)=C1 D84461 [0,1,1,0,0,0|2,0,0]=4 27 B14R2.4476 O=C(O)C1CC1C2=CC=CC(F)=C2 Y10102 [0,0,1,1,0,0|2,0,0]=4 28 B12R1.50 COC(=O)CC1=CC(C)=CC=C1 35769 [0,0,1,0,1,0|2,0,0]=4 29 B12R1.50 COC(=O)CC1=CC(N)=CC=C1 CL8810 [0,0,1,0,1,0|2,0,0]=4 30 B12R1.50 COC(=O)CC1=CC(O)=CC=C1 AB3965 [0,0,1,0,1,0|2,0,0]=4 31 B12R1.50 COC(=O)CC1=CC=CC(Br)=C1 AB3931 [0,0,1,0,1,0|1,1,0]=4 32 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 AB9674 [0,0,1,0,1,0|1,1,0]=4 33 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 22081 [0,0,1,0,1,0|1,0,0]=3 34 B12R1.50 COC(=O)CC1=CC=CC(I)=C1 P16659 [0,0,1,0,1,0|1,1,0]=4 35 B12R1.225 C[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 S10089 [0,0,1,0,1,0|1,1,0]=4 36 B12R2.22 NC1CC(C2=CC=CC=C2)C1 75898 [1,0,0,0,1,0|1,0,1]=4 37 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 75897 [1,0,0,0,1,0|2,0,0]=4 38 B14R2.19 O=C1C[C@H](CC2=CC=CC=C2)CO1 I11257 [1,0,0,0,0,1|2,0,0]=4 39 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 26562 [1,0,0,0,0,1|1,0,1]=4 40 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 26565 [1,0,0,0,0,1|1,0,1]=4