0 B14R2.22 NC1=NC(C2=CC=CC(F)=C2)=CS1 P38043 [0,0,0,0,0,0|0,1,2]=3 1 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 O29740 [1,0,0,0,0,0|0,0,2]=3 2 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 P39998 [1,0,0,0,0,0|0,1,2]=4 3 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 O34051 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P45465 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 Q54186 [1,0,0,0,0,0|1,1,1]=4 6 B13R2.13 FC1=CC(C2CCCN2)=CC=C1 P38982 [1,0,0,0,0,0|1,0,2]=4 7 B13R2.13 FC1=CC(C2CCNC2)=CC=C1 P42061 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.15 COC(=O)CCC1=CC=CC(N)=C1 P42938 [0,0,1,0,0,0|3,0,0]=4 9 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 O28608 [0,0,1,0,0,0|3,0,0]=4 10 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(F)=C1 O28866 [0,0,1,0,0,0|3,0,0]=4 11 B13R1.149 O=C(O)CCCC1=CC=CC(F)=C1 P36520 [0,0,1,0,0,0|3,0,0]=4 12 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)N1 P35152 [0,0,0,0,1,0|1,1,1]=4 13 B13R2.151 O=C1CC(C2=CC=CC(Cl)=C2)N1 P35037 [0,0,0,0,1,0|1,1,1]=4 14 B15R2.28 NC1=NC=C(C2=CC=CC(F)=C2)C=C1 P35672 [0,0,0,0,0,1|1,0,2]=4 15 B12R1.27 COC(=O)NCC1=CC=CC=C1 O34236 [1,0,1,0,0,0|1,0,1]=4 16 B12R1.28 NCCCCC1=CC=CC(F)=C1 P41608 [1,0,1,0,0,0|1,0,1]=4 17 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 P38005 [1,0,1,0,0,0|2,0,0]=4 18 B14R1.11 COC(=O)CC(N)C1=CC=CC(F)=C1 M23065 [0,1,1,0,0,0|2,0,0]=4 19 B14R2.4476 O=C(O)C1CC1C2=CC=CC(F)=C2 O34383 [0,0,1,1,0,0|2,0,0]=4 20 B14R2.4476 O=C(O)[C@H]1C[C@@H]1C2=CC(F)=CC=C2 P43784 [0,0,1,1,0,0|2,0,0]=4 21 B12R1.50 CCC(=O)CC1=CC=CC(F)=C1 P37115 [0,0,1,0,1,0|2,0,0]=4 22 B12R1.50 COC(=O)CC1=CC=CC(F)=N1 N25800 [0,0,1,0,1,0|2,0,0]=4 23 B12R1.50 COC(=O)CC1=CC=CC(I)=C1 M22875 [0,0,1,0,1,0|1,1,0]=4 24 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 P38153 [0,0,1,0,1,0|2,0,0]=4 25 B12R1.225 NC(C(=O)O)C1=CC=CC(F)=C1 P36389 [0,0,1,0,1,0|2,0,0]=4 26 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 P39302 [0,0,1,0,1,0|2,0,0]=4 27 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(F)=C1 P40985 [0,0,1,0,1,0|2,0,0]=4 28 B12R1.225 O=C(O)C(O)C1=CC=CC(F)=C1 P38344 [0,0,1,0,1,0|2,0,0]=4 29 B12R2.22 NC1CC(C2=CC=CC=C2)C1 L13852 [1,0,0,0,1,0|1,0,1]=4 30 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 I-9024 [1,0,0,0,1,0|1,0,1]=4 31 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 I-9025 [1,0,0,0,1,0|1,0,1]=4 32 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 O30293 [1,0,0,0,1,0|2,0,0]=4 33 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 D-2509 [1,0,0,0,1,0|1,0,1]=4 34 B12R2.23 O=C1CCC1C2=CC=CC=C2 F-4430 [1,0,0,0,1,0|2,0,0]=4 35 B12R2.2313 BrC1=CC(C2COC2)=CC=C1 G-7246 [1,0,0,0,1,0|0,1,1]=4 36 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 O34598 [0,0,0,0,2,0|0,1,1]=4 37 B12R2.80 NC1CC1C2=CC=CC(F)=C2 O34562 [0,0,0,0,2,0|0,0,1]=3 38 B14R2.19 O=C1CC(CC2=CC=CC=C2)CO1 P51671 [1,0,0,0,0,1|2,0,0]=4 39 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 L22347 [1,0,0,0,0,1|1,0,1]=4 40 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P50757 [1,0,0,0,0,1|1,0,1]=4