0 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl PH011379 [0,0,0,0,0,0|2,0,0]=2 1 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl S361658 [0,0,0,0,0,0|2,0,0]=2 2 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)O)Br)C PH018852 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.450 CCNC(=O)C1=CC(=CC(=C1)Cl)Cl R344397 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.450 CCOC(=O)C1=CC(=NC(=C1)C)Cl JRD0891 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.466 CCCC(=O)C1=CC=C(C(=C1)C)C TMT00514 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)C)N T303518 [1,0,0,0,0,0|2,0,0]=3 7 B13R1.466 CCOC(=O)C1=CC=C(C(=C1)C)C S434248 [1,0,0,0,0,0|2,0,0]=3 8 B13R1.2678 COC(=O)C1=CC(=C(C(=C1)Br)N)N ANV00089 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.2678 COC(=O)C1=CC(=C(C(=C1)I)N)I R157279 [1,0,0,0,0,0|3,0,0]=4 10 B15R1.5924 O=C(NCCO)C1=CC(=C(C(=C1)O)O)O S565938 [0,1,0,0,0,0|1,0,0]=2 11 B15R1.9719 CCOC(=O)C1=CC(=C(C(=C1O)Br)O)Br S96920 [0,1,0,0,0,0|2,0,0]=3 12 B15R1.28954 CC(C)OC(=O)C1=CC(=C(C(=C1)O)O)O R579890 [0,1,0,0,0,0|0,0,0]=1 13 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [2,0,0,0,0,0|1,0,0]=3 14 B12R1.17 CCNC(=O)C1=CC=CC(=C1)N CBR00239 [2,0,0,0,0,0|2,0,0]=4 15 B12R1.17 CCOC(=O)C1=CC(=CN=C1)Br CDS003122 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.17 CCOC(=O)C1=CC(=NC=C1)N ADE000143 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.17 CCOC(=O)C1=C[N+](=CC=C1)C R175366 [2,0,0,0,0,0|2,0,0]=4 18 B12R1.358 COC(=O)C1=CC(=CC(=C1)Cl)Cl S746266 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.358 NNC(=O)C1=CC(=CC(=C1)O)O R257842 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Br S432814 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.16 CCCC(=O)C1=CC=C(C=C1)C S352705 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl S446874 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F S415456 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N R762342 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O S439789 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I EME00290 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N CBR02271 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl S705764 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N R284645 [2,0,0,0,0,0|1,0,0]=3 30 B12R1.16 CCOC(=O)C1=CC=C(C=N1)N CDS021056 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.16 CCOC(=O)C1=CC=[N+](C=C1)C R179094 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)O PH016234 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.367 CCC(=O)C1=CC=C(C(=C1)C)C OTV000603 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [2,0,0,0,0,0|0,0,0]=2 35 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [2,0,0,0,0,0|1,0,1]=4 36 B12R1.367 COC(=O)C1=CC(=C(C=C1)C)C PH000182 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O CDS014285 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N CDS014143 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O PH009864 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.367 COC(=O)C1=CC=C(C(=C1)Br)O CDS011072 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)O PH011381 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)Cl PH015360 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)Cl)O)Cl IDF00024 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.1005 CC1=CC(=CC(=C1O)C)C(=O)O PH000053 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)O)Br S843792 [2,0,0,0,0,0|1,0,0]=3 47 B12R1.1005 O=C([O-])C1=CC(=C(C(=C1)O)O)O CDS018059 [2,0,0,0,0,0|0,0,1]=3 48 B14R1.923 O=C(NCCO)C1=CC(=CC(=C1)O)O R415391 [1,1,0,0,0,0|1,0,0]=3 49 B14R1.18985 CCOC(=O)C1=C(C(=CC(=C1)C)C)O S240478 [1,1,0,0,0,0|2,0,0]=4 50 B14R1.18985 CCOC(=O)C1=CC(=CC(=C1O)Br)Br PH000440 [1,1,0,0,0,0|2,0,0]=4 51 B14R1.18985 CCOC(=O)C1=CC(=CC(=C1O)Cl)Cl PH010912 [1,1,0,0,0,0|2,0,0]=4 52 B14R1.626 CCOC(=O)C1=CC(=C(C=C1)O)OC S459267 [1,1,0,0,0,0|0,0,0]=2 53 B14R1.685 CC(C)CC(=O)C1=CC=C(C(=C1)O)O PH008907 [1,1,0,0,0,0|1,0,0]=3 54 B14R1.941 CCCOC(=O)C1=CC=C(C(=C1)Cl)O PH010226 [1,1,0,0,0,0|1,0,0]=3 55 B14R1.1003 CCC(C)C(=O)C1=CC=C(C(=C1)O)O PH008914 [1,1,0,0,0,0|1,0,0]=3 56 B14R1.7264 CCCC(=O)C1=CC(=C(C=C1O)O)O T308293 [1,1,0,0,0,0|1,0,0]=3 57 B14R1.7264 CCOC(=O)C1=CC(=C(C=C1N)Cl)Cl CDS023293 [1,1,0,0,0,0|2,0,0]=4 58 B14R1.7265 CCOC(=O)C1=CC=C(C(=C1O)C)O S940968 [1,1,0,0,0,0|1,0,0]=3 59 B14R1.12512 COC(=O)C1=CC(=C(C(=C1)O)OC)O PH005039 [1,1,0,0,0,0|0,0,0]=2 60 B16R1.3548 CCCCOC(=O)C1=CC(=C(C(=C1)I)O)I S406961 [0,2,0,0,0,0|2,0,0]=4 61 B16R1.3548 CCCCOC(=O)C1=CC(=C(C(=C1)O)O)O S764868 [0,2,0,0,0,0|0,0,0]=2 62 B16R1.64535 CCOC(=O)C1=CC(=C(C(=C1)CO)O)CO PH007310 [0,2,0,0,0,0|0,0,0]=2 63 B16R2.29806 CCOC(=O)C1=CC(=C2C=COC2=C1)O PH018646 [0,1,0,1,0,0|1,0,0]=3 64 B16R2.29806 CCOC(=O)C1=CC2=C(C=CS2)C(=C1)O PH015327 [0,1,0,1,0,0|1,1,0]=4 65 B16R2.29806 CCOC(=O)C1=CC2=C(OC=C2)C(=C1)O PH015335 [0,1,0,1,0,0|1,0,0]=3 66 B16R2.29806 CCOC(=O)C1=CC2=C(SC=C2)C(=C1)O PH015084 [0,1,0,1,0,0|1,1,0]=4 67 B12R1.362 COC(=O)C1=C(C(=C(S1)C)O)O PH001488 [1,0,0,0,1,0|2,0,0]=4 68 B14R1.952 CCOC(=O)CC1=CC(=CC(=C1)C)C PH016257 [1,0,0,0,0,1|2,0,0]=4 69 B14R1.952 CCOC(=O)OC1=CC(=CC(=C1)C)C S671126 [1,0,0,0,0,1|2,0,0]=4 70 B14R1.967 CCOC(=O)NC1=CC(=C(C=C1)Cl)Cl S634433 [1,0,0,0,0,1|2,0,0]=4 71 B14R1.967 CCOC(=O)NC1=CC=C(C(=C1)Cl)C S625116 [1,0,0,0,0,1|2,0,0]=4 72 B16R1.1520 CCOC(=O)CCC1=CC(=C(C(=C1)N)O)N S647624 [0,0,0,0,0,2|2,0,0]=4