0 B13R1.547 CNC(=O)C1=CC=CC=C1[N+](=O)[O-] 7112890190 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.77 COC(=O)C1=C(C#N)N=CC=C1 3671693 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 2832870 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 2125404 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.77 COC1=CC=CC=C1C(=O)NN 7117190031 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.261 CC(C)C1=C(C(=O)O)C=CC=C1 2048899 [1,0,0,0,0,0|1,0,0]=2 6 B12R1.261 CN(C)C1=C(C(=O)Cl)C=CC=N1 1050526 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.261 CN(C)C1=C(C(=O)O)C=CC=N1 1050514 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.261 O=C(O)C1=C(C(=O)O)C=CC=C1 7211970022 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.261 O=C(O)C1=CC=CC=C1[N+](=O)[O-] 0125160260 [1,0,0,0,0,0|2,0,1]=4 10 B14R1.745 COC(=O)C1=C(S(=O)(=O)Cl)C=CC=C1 3057977 [0,1,0,0,0,0|3,0,0]=4 11 B14R1.745 COC(=O)C1=CC=CC=C1S(C)(=O)=O 19767668 [0,1,0,0,0,0|2,0,0]=3 12 B14R1.746 COC(=O)C1=CC=CC=C1C(=O)OC 7214190712 [0,1,0,0,0,0|2,0,0]=3 13 B14R2.29285 CC1(C)CCC(=O)C2=CC=CC=C21 1202536 [0,0,0,1,0,0|2,0,0]=3 14 B14R1.744 COC(=O)C1=C(OC(C)=O)C=CC=C1 11186498 [0,0,0,0,0,1|2,0,0]=3 15 B14R1.3302 CC(C)C1=C(NC(=O)CCl)C=CC=C1 1900369 [0,0,0,0,0,1|3,0,0]=4 16 B14R1.3302 CC(C)C1=CC=CC=C1NC(=O)CS 7414270035 [0,0,0,0,0,1|3,0,0]=4 17 B14R1.3302 COC(=O)CC1=C([N+](=O)[O-])C=CC=C1 7573983 [0,0,0,0,0,1|2,0,1]=4 18 B11R1.53 COC1=C(C(=O)O)C=CC=C1 1779305 [2,0,0,0,0,0|1,0,0]=3 19 B11R1.53 COC1=C(C(C)=O)C=CC=C1 1505978 [2,0,0,0,0,0|1,0,0]=3 20 B11R1.53 COC1=C(C(C)C)C=CC=C1 5024106 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.53 COC1=CC=CC=C1C(=O)Cl 1051716 [2,0,0,0,0,0|2,0,0]=4 22 B11R1.53 COC1=CC=CN=C1C(=O)O 22430297 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.53 CSC1=C(C(=O)O)C=CC=N1 2843226 [2,0,0,0,0,0|2,0,0]=4 24 B11R1.53 NNC1=CC=CC=C1C(=O)O 7020542803 [2,0,0,0,0,0|1,0,0]=3 25 B11R1.53 O=C(O)C1=C(NO)C=CC=C1 11185879 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.53 O=CC1=CC=CC=C1C(=O)O 7018801964 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.53 O=NC1=CC=CC=C1C(=O)O 3355188 [2,0,0,0,0,0|1,0,1]=4 28 B11R1.222 CCC(=O)C1=CC=CC=C1Br 1909091 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.222 CNC(=O)C1=CC=CC=C1N 971816 [2,0,0,0,0,0|1,0,0]=3 30 B11R1.222 COC(=O)C1=C(F)C=CC=C1 2829710 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.222 COC(=O)C1=C(N)C=CC=C1 1867348 [2,0,0,0,0,0|0,0,0]=2 32 B11R1.222 COC(=O)C1=C(N)C=CC=C1 7138607 [2,0,0,0,0,0|0,0,0]=2 33 B11R1.222 COC(=O)C1=C(O)C=CC=C1 1311035 [2,0,0,0,0,0|1,0,0]=3 34 B11R1.222 COC(=O)C1=C(S)C=CC=C1 2824881 [2,0,0,0,0,0|1,0,0]=3 35 B11R1.222 COC(=O)C1=CC=CC=C1C 2084120 [2,0,0,0,0,0|0,0,0]=2 36 B11R1.222 COC(=O)C1=CC=CC=C1Cl 2084248 [2,0,0,0,0,0|1,0,0]=3 37 B11R1.222 COC(=O)C1=NC=CN=C1N 15386266 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.222 NNC(=O)C1=CC=CC=C1N 974743 [2,0,0,0,0,0|2,0,0]=4 39 B13R1.2065 COC(=O)C1=C(OC)C=C(F)C=C1 7122656 [1,1,0,0,0,0|1,0,0]=3 40 B13R1.349 CS(=O)(=O)C1=CC=CC=C1C(=O)O 7020542494 [1,1,0,0,0,0|2,0,0]=4 41 B15R1.3847 COC(=O)C1=C(NC(=O)CCl)C=CC=C1 0104820690 [0,1,0,0,0,1|2,0,0]=4 42 B15R1.38521 COC(=O)C1=CC=C(Br)C=C1C(=O)OC 7138630 [0,2,0,0,0,0|2,0,0]=4 43 B15R1.38509 COC(=O)C1=CC=CC(N)=C1C(=O)OC 13577361 [0,2,0,0,0,0|2,0,0]=4 44 B13R2.3085 CC1=C(Br)C2=CC=CC=C2N1C 1361131 [1,0,0,1,0,0|2,0,0]=4 45 B13R2.5252 O=C1CCCCC2=CC=CC=C12 1202517 [1,0,0,1,0,0|2,0,0]=4 46 B15R2.7494 CC1(C)CCC(=O)C2=CC(Br)=CC=C21 1202540 [0,1,0,1,0,0|2,0,0]=4 47 B13R1.91 COC(=O)CC1=C(OC)C=CC=C1 1903693 [1,0,0,0,0,1|1,0,0]=3 48 B15R1.985 COC(=O)C1=CC=CC=C1SCC(C)=O 6595047 [0,0,0,0,0,2|2,0,0]=4