0 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)O1 180254 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 319973 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.328 NC1=CC(=O)C2=C(C=CC=C2)N1 217675 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 209309 [0,0,0,0,0,0|2,0,2]=4 4 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 329152 [0,0,0,0,0,0|2,0,1]=3 5 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 076838 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 233677 [0,0,0,0,0,0|2,0,1]=3 7 B13R2.328 O=C1NC(S)=NC2=C1C=CC=C2 372226 [0,0,0,0,0,0|3,1,0]=4 8 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 091215 [0,0,0,0,0,0|2,0,1]=3 9 B13R2.328 OC1=CC(O)=NC2=C1C=CC=C2 209285 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.24 O=C1C=CC2=CC=CC=C2O1 239149 [1,0,0,0,0,0|2,0,1]=4 11 B12R2.24 OC1=CC=C2C=CC=CC2=C1 235727 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1081 O=C1CCCC2=C1C=CC=C2 208977 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.1081 O=C1CCOC2=C1C=CC=C2 317966 [1,0,0,0,0,0|2,0,0]=3 14 B12R2.1081 O=C1OCCC2=C1C=CC=C2 209012 [1,0,0,0,0,0|2,0,0]=3 15 B14R2.1019 CCC1=NC2=C(C=CC=C2)C(=O)O1 046349 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.7724 CN1C(=O)OC(=O)C2=CC=CC=C21 242808 [0,1,0,0,0,0|2,0,1]=4 17 B14R2.7724 O=C1C=C(O)C(=O)C2=C1C=CC=C2 209636 [0,1,0,0,0,0|3,0,0]=4 18 B14R2.8235 CC1=CC2=C(C=C1)NC(=O)OC2=O 040323 [0,1,0,0,0,0|2,0,1]=4 19 B14R2.8235 CC1CC(=O)C2=CC(F)=CC=C2O1 008563 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.8235 NC1=CC2=C(C=C1)NC(=O)OC2=O 018184 [0,1,0,0,0,0|2,0,1]=4 21 B14R2.8235 O=C1NC2=C(C=C(Cl)C=C2)C(=O)O1 011637 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.8235 O=C1NC2=CC=C(Br)C=C2C(=O)O1 018286 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.8235 O=C1NC2=CC=C(F)C=C2C(=O)O1 034294 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.29365 O=C1NC2=C(C=CC(F)=C2)C(=O)O1 040353 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.75 C(=O)C1=C(OC(F)F)C=CC=C1 004829 [0,0,1,0,0,0|3,0,0]=4 26 B12R1.75 CC(C)OC1=C(C=O)C=CC=C1 014203 [0,0,1,0,0,0|3,0,0]=4 27 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 018652 [0,0,1,0,0,0|3,0,0]=4 28 B12R1.283 CCOC1=C(C(N)=O)C=CC=C1 098997 [0,0,1,0,0,0|3,0,0]=4 29 B12R1.283 CCOC1=NC=CC=C1C(=O)O 009781 [0,0,1,0,0,0|3,0,0]=4 30 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 003723 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 006106 [0,0,1,0,0,0|3,0,0]=4 32 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 038707 [0,0,1,0,0,0|3,0,0]=4 33 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl 243036 [0,0,1,0,0,0|3,0,0]=4 34 B12R1.308 CCOC(=O)C1=CC=CC=C1O 240949 [0,0,1,0,0,0|2,0,0]=3 35 B12R1.308 CCOC(=S)C1=CC=CC=C1O 097589 [0,0,1,0,0,0|2,1,0]=4 36 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O 077309 [0,0,0,0,1,0|2,0,1]=4 37 B12R2.2028 O=C1CC(=O)C2=CC=CC=C12 011171 [0,0,0,0,1,0|2,0,1]=4 38 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 358204 [0,0,0,0,1,0|2,0,1]=4 39 B12R2.2028 O=C1OC(=O)C2=C1C=CC=C2 241125 [0,0,0,0,1,0|1,0,1]=3 40 B12R2.2028 O=C1OC(=O)C2=C1C=CN=C2 045245 [0,0,0,0,1,0|2,0,1]=4 41 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 093917 [0,0,0,0,1,0|1,0,1]=3 42 B12R2.2028 O=C1OC(=O)C2=NC=CC=C12 024314 [0,0,0,0,1,0|2,0,1]=4 43 B12R2.2028 O=C1OC(Br)C2=CC=CC=C12 113900 [0,0,0,0,1,0|2,0,0]=3 44 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 214996 [0,0,0,0,1,0|2,0,1]=4 45 B11R1.41 CCOC1=C(C=O)C=CC=C1 420802 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.16 CCOC(=O)C1=CC=CC=C1 300758 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.16 O=C(NCO)C1=CC=CC=C1 001083 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.16 O=C(OCCl)C1=CC=CC=C1 209542 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.16 O=C(\C=N\O)C1=CC=CC=C1 045202 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 303994 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.53 CCC1=CC=CC=C1C(=O)O 065724 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.53 CNC1=CC=CC=C1C(=O)O 329951 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.53 COC1=C(C(=O)Cl)C=CC=C1 153200 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.53 COC1=C(C(C)=O)C=CC=C1 046207 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.53 COC1=CC=CC=C1C(=O)O 094935 [1,0,1,0,0,0|1,0,0]=3 56 B11R1.53 COC1=CC=CC=C1C(N)=O 018768 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.53 COC1=NC=CC=C1C(=O)O 009800 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 002628 [1,0,1,0,0,0|1,1,0]=4 59 B11R1.53 NNC1=CC=CC=C1C(=O)O 061132 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.53 O=CC1=CC=CC=C1C(=O)O 078754 [1,0,1,0,0,0|1,0,1]=4 61 B11R1.53 O=[IH2]C1=C(C(=O)O)C=CC=C1 185059 [1,0,1,0,0,0|1,0,1]=4 62 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 520894 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 374495 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.222 COC(=O)C1=C(C)C=CC=C1 018884 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.222 COC(=O)C1=C(Cl)C=CC=C1 018825 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.222 COC(=O)C1=C(F)C=CC=C1 006801 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.222 COC(=O)C1=C(I)C=CC=C1 005544 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.222 COC(=O)C1=C(S)C=CC=C1 008066 [1,0,1,0,0,0|1,1,0]=4 69 B11R1.222 COC(=O)C1=CC=CC=C1Br 079461 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.222 COC(=O)C1=CC=CC=C1O 066745 [1,0,1,0,0,0|1,0,0]=3 71 B11R1.222 COC(=O)C1=CC=CN=C1O 066889 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.222 COC(=O)C1=CC=NC=C1O 091518 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 018713 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.222 N\C(=N/O)C1=CC=CC=C1O 040178 [1,0,1,0,0,0|2,0,0]=4 75 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 448702 [1,0,1,0,0,0|2,0,0]=4 76 B13R1.572 CCCOC1=CC=CC=C1C(=O)O 240985 [0,1,1,0,0,0|2,0,0]=4 77 B13R1.446 CCOC(=O)C1=CC(Br)=CC=C1O 325149 [0,1,1,0,0,0|2,0,0]=4 78 B13R1.674 O=C(OCCO)C1=CC=CC=C1O 241853 [0,1,1,0,0,0|1,0,0]=3 79 B13R1.4453 CCOC(=O)C1=C(O)C=CC=C1O 098757 [0,1,1,0,0,0|2,0,0]=4 80 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O 079013 [0,1,0,0,1,0|2,0,0]=4 81 B13R2.4857 O=C1OC(=O)C2=C(Cl)C=CC=C12 013484 [0,1,0,0,1,0|1,0,1]=4 82 B13R2.4857 O=C1OC(=O)C2=C(F)C=CC=C12 002357 [0,1,0,0,1,0|1,0,1]=4 83 B13R2.4857 O=C1OC(=O)C2=C(I)C=CC=C12 024786 [0,1,0,0,1,0|1,0,1]=4 84 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2O 222694 [0,1,0,0,1,0|1,0,1]=4 85 B13R2.5187 CC1=CC=C2C(=O)OC(=O)C2=C1 069181 [0,1,0,0,1,0|1,0,1]=4 86 B13R2.5187 O=C1OC(=O)C2=CC(Br)=CC=C12 009065 [0,1,0,0,1,0|1,0,1]=4 87 B13R2.5187 O=C1OC(=O)C2=CC(Cl)=CC=C12 121400 [0,1,0,0,1,0|1,0,1]=4 88 B13R2.5187 O=C1OC(=O)C2=CC(F)=CC=C12 006356 [0,1,0,0,1,0|1,0,1]=4 89 B13R2.12159 O=C1OI(=O)(O)C2=CC=CC=C12 069184 [0,1,0,0,1,0|1,0,0]=3 90 B13R2.12159 O=C1OS(=O)(=O)C2=C1C=CC=C2 046968 [0,1,0,0,1,0|1,0,1]=4 91 B15R2.14951 O=C(O)C1=CC(=O)C2=CC=CC=C2O1 012033 [0,2,0,0,0,0|2,0,0]=4 92 B13R2.5569 O=C(O)C1=C2OCCC2=CC=C1 011337 [0,0,1,1,0,0|2,0,0]=4 93 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 024966 [0,0,1,0,1,0|1,0,1]=4 94 B11R2.1 OB1OCC2=C1C=CC=C2 107020 [1,0,0,0,1,0|1,0,1]=4 95 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 046526 [1,0,0,0,1,0|2,0,0]=4