0 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 M23386 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.5 COc1ccc(C(=O)CBr)cc1 M20862 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.3 COC1=CC=C(C(=O)O)C=C1 M17742 [1,0,0,0,0,0|0,0,0]=1 3 B11R1.3 COC1=NC=C(C(N)=O)C=C1 M24726 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 M15072 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 M15344 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 M15712 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.22 COC(=O)c1ccc(O)cc1 M19307 [1,0,0,0,0,0|0,0,0]=1 8 B11R1.22 COC(=O)c1ccc(O)cn1 M28296 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.22 NNC(=O)c1ccc(N)cc1 M27839 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 M24520 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.22 O=C(CBr)c1ccc(O)cc1 M18306 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.83 C=CCc1ccc(OC)cc1 M20326 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 M10221 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 M14428 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.139 CCOC1=CC=C(C(=O)OC)C=C1 M24080 [0,1,0,0,0,0|0,0,0]=1 16 B13R1.5 C=CC(=O)Nc1ccc(OC)cc1 M28407 [0,0,0,0,0,1|1,0,1]=3 17 B10R1.3 COc1ccc(C=O)cc1 M21217 [2,0,0,0,0,0|0,0,0]=2 18 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [2,0,0,0,0,0|0,0,0]=2 19 B10R1.13 CC(=O)C1=CC=C(O)C=C1 M19367 [2,0,0,0,0,0|0,0,0]=2 20 B10R1.13 CC(C)C1=CC=C(O)C=C1 M19495 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.13 Cc1ccc(C(=O)O)cc1 M22657 [2,0,0,0,0,0|0,0,0]=2 22 B10R1.13 Cc1ccc(C(C)C)cc1 M20194 [2,0,0,0,0,0|1,0,1]=4 23 B10R1.13 NC1=CC=C(C(=O)O)C=C1 M12088 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.13 Nc1ccc(C(=O)O)cn1 M21251 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.13 O=C(O)C1=CC=C(O)C=C1 M19308 [2,0,0,0,0,0|0,0,0]=2 26 B10R1.13 O=C(O)c1ccc(O)nc1 M19612 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.13 O=C1C=CC(C(=O)O)=CO1 M21279 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.13 O=[N+]([O-])c1ccc(O)cc1 M20047 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.15 CNC(=O)c1ccccc1 M26316 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.15 CNC(=O)c1cccnc1 M20018 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.15 COC(=O)c1ccccn1 M27521 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.15 COC(=O)c1cccnc1 M20301 [2,0,0,0,0,0|1,0,0]=3 33 B10R1.15 O=CC(=O)c1ccccc1 M28183 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.48 COC1=C(O)C=C(C(C)=O)C=C1 M24608 [1,1,0,0,0,0|0,0,0]=2 35 B12R1.48 COc1ccc(C(=O)O)cc1O M20478 [1,1,0,0,0,0|0,0,0]=2 36 B12R1.256 CC(=O)C1=CC=C(S(C)=O)C=C1 M24257 [1,1,0,0,0,0|0,1,0]=3 37 B12R1.256 O=C(O)c1ccc(C(=O)O)cc1 M21387 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 M18258 [1,1,0,0,0,0|0,0,0]=2 39 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 M15001 [1,1,0,0,0,0|0,0,0]=2 40 B12R1.16 CCCC(=O)c1ccc(F)cc1 M20181 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.16 CCOC(=O)C1=CC=C(N)C=C1 M18273 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 M10748 [1,1,0,0,0,0|0,0,0]=2 43 B12R1.16 CCOC(=O)c1ccc(N)cc1 M24992 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.16 O=C(CCO)c1ccc(O)cc1 M29360 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 M13431 [1,1,0,0,0,0|0,0,0]=2 46 B12R1.367 O=C(NO)C1=CC=C(O)C(O)=C1 M15680 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 M23976 [1,1,0,0,0,0|0,0,0]=2 48 B14R2.1 COc1ccc(-c2cnco2)cc1 M27206 [0,1,0,1,0,0|1,0,1]=4 49 B10R0.46 C=C(CC(=O)OC)C(=O)OC M20124 [0,0,1,0,1,0|1,0,1]=4 50 B10R1.14 COC(=O)C1=CC(Br)=CN1 M29527 [1,0,0,0,1,0|2,0,0]=4 51 B10R1.14 COC(=O)C1=CC=C(Br)N1 M29538 [1,0,0,0,1,0|2,0,0]=4 52 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 M23761 [1,0,0,0,0,1|1,0,0]=3