0 B12R1.27 COC(=O)NCC1=CC=CC=C1 c07841 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.27 NNC(=O)COC1=CC=CC=C1 M01601 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.27 O=C(CBr)NCC1=CC=CC=C1 c03084 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.91 O=[N+]([O-])\C=C\C1=CC=CC=C1 e01164 [1,0,0,0,0,0|1,0,1]=3 4 B13R1.11 CCC(=O)NC(C)C1=CC=CC=C1 a05295 [0,1,0,0,0,0|2,0,1]=4 5 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 c07674 [0,1,0,0,0,0|1,0,2]=4 6 B13R1.14 CNC(=O)COC1=CC=C(C)C=C1 c02590 [0,1,0,0,0,0|2,0,1]=4 7 B13R1.14 CNC(=O)\C=C\C1=CC=C(N)C=C1 c07564 [0,1,0,0,0,0|1,0,0]=2 8 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 c07707 [0,1,0,0,0,0|1,0,2]=4 9 B13R1.15 CNC(=O)COC1=CC(C)=CC=C1 c02594 [0,1,0,0,0,0|2,0,1]=4 10 B13R1.15 CNC(=O)COC1=CC(F)=CC=C1 c04286 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.42 CCNC(=O)CCC1=CC=CC=C1 c03821 [0,1,0,0,0,0|1,0,2]=4 12 B13R1.351 CN(C)C(=O)CCC1=CC=CC=C1 c09302 [0,1,0,0,0,0|1,0,2]=4 13 B13R1.351 CN(C)C(=O)COC1=CC=CC=C1 c09227 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.528 CNC(=O)CCC1=C(N)C=CC=C1 c07689 [0,1,0,0,0,0|1,0,2]=4 15 B13R1.528 CNC(=O)COC1=C(C)C=CC=C1 c03106 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.528 CNC(=O)COC1=C(F)C=CC=C1 c04291 [0,1,0,0,0,0|2,0,1]=4 17 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 c01833 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 M04885 [0,0,0,1,0,0|1,0,1]=3 19 B13R2.32 OC1=C(Br)C2=CC=CC=C2C=C1 m08989 [0,0,0,1,0,0|2,0,1]=4 20 B11R1.40 CCC(=O)NC1=CC=CC=C1 a03951 [0,0,0,0,1,0|2,0,0]=3 21 B11R1.40 COC(=O)NC1=CC=CC=C1 e00869 [0,0,0,0,1,0|1,0,0]=2 22 B11R1.40 NNC(=O)CC1=CC=CC=C1 M06886 [0,0,0,0,1,0|2,0,1]=4 23 B11R1.40 O=C(CBr)NC1=CC=CC=C1 c03076 [0,0,0,0,1,0|3,0,0]=4 24 B13R1.718 COC(=O)N\N=C\C1=CC=CN=C1 a00058 [0,0,0,0,0,1|2,0,0]=3 25 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 a07584 [1,1,0,0,0,0|1,0,1]=4 26 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 a03426 [1,1,0,0,0,0|0,0,0]=2 27 B12R1.21 O=C(O)COC1=CC=C(Br)C=C1 a00282 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 c04998 [1,1,0,0,0,0|0,0,0]=2 29 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 a02584 [1,1,0,0,0,0|0,0,0]=2 30 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O a08934 [1,1,0,0,0,0|1,0,1]=4 31 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O c08648 [1,1,0,0,0,0|0,0,2]=4 32 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 a05300 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.125 CC(=O)NCC1=C(Cl)C=CC=C1 e00298 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.125 CC1=C(OCC(=O)O)C=CC=C1 c02600 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 c04893 [1,1,0,0,0,0|0,0,2]=4 36 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 a08309 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl a05299 [1,1,0,0,0,0|0,0,0]=2 38 B12R1.226 CC1=CC(OCC(=O)O)=CC=C1 c06612 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 c05262 [0,1,0,0,1,0|2,0,0]=4 40 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 c02629 [0,1,0,0,1,0|2,0,0]=4 41 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 c07615 [0,1,0,0,1,0|1,0,1]=4 42 B12R1.50 CCC(=O)NC1=CC=CC(N)=C1 c04930 [0,1,0,0,1,0|2,0,0]=4 43 B12R1.50 CCC(=O)NC1=CC=CC(O)=C1 c02408 [0,1,0,0,1,0|2,0,0]=4 44 B12R1.371 CCC(=O)NC1=C(O)C=CC=C1 c00859 [0,1,0,0,1,0|2,0,0]=4 45 B14R1.163 COC(=O)NNC(=O)C1=CC=CC=C1 c09857 [0,1,0,0,0,1|1,0,0]=3 46 B14R1.743 CCC(=O)NC(=S)NC1=CC=CC=C1 a03357 [0,1,0,0,0,1|2,0,0]=4 47 B14R1.820 COC(=O)COC1=CC(C)=CC=C1C a00898 [0,2,0,0,0,0|1,0,1]=4 48 B14R1.60 CCOC(=O)C(N)CC1=CC=CC=C1 c01719 [0,2,0,0,0,0|0,0,2]=4 49 B14R1.863 COC(=O)COC1=C(OC)C=CC=C1 c01119 [0,2,0,0,0,0|1,0,1]=4 50 B12R1.354 COC(=O)C1=CC(Br)=CC=C1O c01366 [0,0,1,1,0,0|2,0,0]=4 51 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1O c07302 [0,0,1,1,0,0|2,0,0]=4 52 B12R2.24 O=C1C=CC2=CC=CC=C2O1 c07899 [1,0,0,1,0,0|0,0,0]=2 53 B14R2.95 CCC(=O)C1=CNC2=CC=CC=C21 c07918 [0,0,0,1,0,1|1,0,0]=3 54 B14R2.29369 O=C1C=CC2=CC(Br)=CC=C2C1=O c07890 [0,1,0,1,0,0|2,0,0]=4 55 B14R2.972 O=C(CCl)C1=CC2=C(C=CC=C2)N1 a01495 [0,1,0,1,0,0|2,0,0]=4 56 B10R1.18 CC(=O)NC1=CC=CC=C1 a03944 [1,0,0,0,1,0|1,0,0]=3 57 B10R1.18 O=C(O)CC1=CC=CC=C1 e01172 [1,0,0,0,1,0|0,0,1]=3 58 B10R1.66 NC(=O)\C=C\C1=CC=CO1 a02822 [1,0,0,0,1,0|2,0,0]=4 59 B10R1.66 O=C(O)\C=C\C1=CC=CO1 a00387 [1,0,0,0,1,0|1,0,0]=3 60 B10R1.66 O=C(O)\C=C\C1=CC=CS1 a03813 [1,0,0,0,1,0|1,0,0]=3 61 B10R1.15 NNC(=O)C1=CC=CC=C1 e00706 [0,0,0,0,2,0|2,0,0]=4