0 B14R1.7264 CCCC(=O)C1=CC(=C(C=C1O)O)O T308293 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.7264 CCOC(=O)C1=CC(=C(C=C1N)Cl)Cl CDS023293 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.446 CCCC(=O)C1=C(C=CC(=C1)C)O PH004501 [1,0,0,0,0,0|1,0,0]=2 3 B13R1.446 CCOC(=O)C1=CC(=CC=C1O)Br KOB0156 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.466 CCCC(=O)C1=CC=C(C(=C1)C)C TMT00514 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)C)N T303518 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.466 CCOC(=O)C1=CC=C(C(=C1)C)C S434248 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)C)C OTV000738 [1,0,0,0,0,0|2,0,0]=3 8 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)Cl)O PH007973 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)C)C PH011191 [1,0,0,0,0,0|3,0,0]=4 10 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Cl)N PH000524 [1,0,0,0,0,0|3,0,0]=4 11 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)N)Cl PH000496 [1,0,0,0,0,0|3,0,0]=4 12 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)O)O S947784 [1,0,0,0,0,0|1,0,0]=2 13 B13R1.1511 COCC(=O)C1=CC=C(C=C1O)O S863483 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)C)C)O JRD1482 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)Cl)C)O PH011664 [1,0,0,0,0,0|2,0,0]=3 16 B13R1.1807 CCC(=O)C1=C(C=C(C(=C1)Cl)O)O L498912 [1,0,0,0,0,0|1,0,0]=2 17 B15R1.9719 CCOC(=O)C1=CC(=C(C(=C1O)Br)O)Br S96920 [0,1,0,0,0,0|2,0,0]=3 18 B15R2.59733 CC1CC(=O)C2=CC(=C(C=C2O1)Cl)Cl PH000697 [0,0,0,1,0,0|2,0,0]=3 19 B12R1.17 CCNC(=O)C1=CC(=CC=C1)O EME00412 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.17 CCNC(=O)C1=CC=CC(=C1)N CBR00239 [2,0,0,0,0,0|2,0,0]=4 21 B12R1.308 CCCC(C)C1=CC=CC=C1O S371343 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.308 CCNC(=O)C1=C(C=CC=C1)C R467715 [2,0,0,0,0,0|2,0,0]=4 23 B12R1.308 CCOC(=O)C1=C(C=CC=C1)F PH014251 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.308 CCOC(=O)C1=NC=CC=C1O PH009854 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.308 CNNC(=O)C1=CC=CC=C1O PH008875 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.308 O=C(NCO)C1=CC=CC=C1O S385050 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PH011673 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [2,0,0,0,0,0|0,0,0]=2 29 B12R1.354 CCC(=O)C1=CC(=CC=C1Cl)Cl OTV000286 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)I PH016098 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.354 COC(=O)C1=CC(=CC=C1O)I S352977 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl S681105 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Br S432814 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.16 CCCC(=O)C1=CC=C(C=C1)C S352705 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl S446874 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F S415456 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N R762342 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O S439789 [2,0,0,0,0,0|0,0,0]=2 39 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I EME00290 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N CBR02271 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl S705764 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N R284645 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.16 O=C(CCBr)C1=CC=C(C=C1)Br OTV000778 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.367 CC1=C(C=CC(=C1)C(=O)CCl)O PH016234 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.367 CCC(=O)C1=CC=C(C(=C1)C)C OTV000603 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O PH011570 [2,0,0,0,0,0|0,0,0]=2 47 B12R1.367 CCC(C)C1=CC=C(C(=C1)O)O PH007367 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.367 COC(=O)C1=CC(=C(C=C1)N)O CDS014285 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.367 COC(=O)C1=CC(=C(C=C1)O)N CDS014143 [2,0,0,0,0,0|2,0,0]=4 50 B12R1.367 COC(=O)C1=CC=C(C(=C1)Br)O CDS011072 [2,0,0,0,0,0|2,0,0]=4 51 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)O PH011381 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.367 O=C(CCl)C1=CC(=C(C=C1)O)Cl PH015360 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O PH005131 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.1703 CC1=CC(=CC=C1C(=O)CCl)O R738417 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Br)O PH006805 [2,0,0,0,0,0|1,0,0]=3 56 B12R1.1703 CCC(=O)C1=CC=C(C=C1Cl)Cl S757217 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.1703 CCC(=O)C1=CC=C(C=C1O)F JRD0661 [2,0,0,0,0,0|1,0,0]=3 58 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PH001949 [2,0,0,0,0,0|2,0,0]=4 59 B12R1.1703 COC(=O)C1=CC=C(C=C1O)Br JRD0832 [2,0,0,0,0,0|2,0,0]=4 60 B12R1.1703 COC(=O)C1=CC=C(C=C1O)C PH011099 [2,0,0,0,0,0|2,0,0]=4 61 B12R1.1703 COC(=O)C1=CC=C(C=C1O)F JRD0834 [2,0,0,0,0,0|2,0,0]=4 62 B12R1.232 CC(=O)C1=C(C=C(C(=C1)C)O)C S946222 [2,0,0,0,0,0|2,0,0]=4 63 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C PH010635 [2,0,0,0,0,0|2,0,0]=4 64 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [2,0,0,0,0,0|1,0,0]=3 65 B12R1.232 CC(=O)C1=CC(=C(C=C1O)Cl)Cl PH000500 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)Cl IDF00011 [2,0,0,0,0,0|1,0,0]=3 67 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O L168718 [2,0,0,0,0,0|1,0,0]=3 68 B14R1.185 CCC/C(=N\O)/C1=C(C=CC(=C1)C)O L496707 [1,1,0,0,0,0|1,0,1]=4 69 B14R1.6052 CC(=O)CC(=O)C1=C(C=CC(=C1)F)O JRD0777 [1,1,0,0,0,0|1,0,1]=4 70 B14R1.18985 CCOC(=O)C1=C(C(=CC(=C1)C)C)O S240478 [1,1,0,0,0,0|2,0,0]=4 71 B14R1.18985 CCOC(=O)C1=CC(=CC(=C1O)Br)Br PH000440 [1,1,0,0,0,0|2,0,0]=4 72 B14R1.18985 CCOC(=O)C1=CC(=CC(=C1O)Cl)Cl PH010912 [1,1,0,0,0,0|2,0,0]=4 73 B14R1.626 CCOC(=O)C1=CC(=C(C=C1)O)OC S459267 [1,1,0,0,0,0|1,0,0]=3 74 B14R1.685 CC(C)CC(=O)C1=CC=C(C(=C1)O)O PH008907 [1,1,0,0,0,0|0,0,0]=2 75 B14R1.941 CCCNC(=O)C1=CC=C(C(=C1)Cl)Cl PH009061 [1,1,0,0,0,0|2,0,0]=4 76 B14R1.941 CCCOC(=O)C1=CC=C(C(=C1)Cl)O PH010226 [1,1,0,0,0,0|1,0,0]=3 77 B14R1.1003 CCC(C)C(=O)C1=CC=C(C(=C1)O)O PH008914 [1,1,0,0,0,0|0,0,0]=2 78 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl PH011379 [1,1,0,0,0,0|2,0,0]=4 79 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)Cl)O)Cl S361658 [1,1,0,0,0,0|2,0,0]=4 80 B14R1.6821 CCOC(=O)C1=CC(=C(C(=C1)O)Br)C PH018852 [1,1,0,0,0,0|2,0,0]=4 81 B14R1.7265 CCOC(=O)C1=CC=C(C(=C1O)C)O S940968 [1,1,0,0,0,0|2,0,0]=4 82 B14R1.2819 CCC(Br)C(=O)C1=C(C=C(C=C1)C)C OTV000777 [1,1,0,0,0,0|2,0,0]=4 83 B14R1.6048 CC(=O)CC(=O)C1=C(C=C(C=C1)C)O S808873 [1,1,0,0,0,0|1,0,1]=4 84 B14R1.6048 CS(=O)CC(=O)C1=CC=C(C=C1O)O PH007734 [1,1,0,0,0,0|1,0,0]=3 85 B14R1.18811 CCCC(=O)C1=C(C=C(C=C1C)C)O R736163 [1,1,0,0,0,0|1,0,0]=3 86 B14R1.18811 CCOC(=O)C1=C(C=C(C=C1C)O)C S873845 [1,1,0,0,0,0|2,0,0]=4 87 B14R1.18811 COCC(=O)C1=C(C=C(C=C1O)O)O IDF00010 [1,1,0,0,0,0|1,0,0]=3 88 B14R1.2283 COC1=CC(=C(C=C1O)Br)C(=O)CN S105368 [1,1,0,0,0,0|2,0,0]=4 89 B14R1.2294 COC(=O)C1=C(C=C(C(=C1)Br)OC)O L446718 [1,1,0,0,0,0|2,0,0]=4 90 B14R1.2294 COC(=O)C1=CC(=C(C=C1O)OC)O S748501 [1,1,0,0,0,0|1,0,0]=3 91 B16R1.3573 CCCCCC(=O)C1=CC(=C(C=C1O)C)Cl S648620 [0,2,0,0,0,0|2,0,0]=4 92 B16R1.70643 CCCC(=O)C1=CC(=C(C=C1O)OC)OC PH009075 [0,2,0,0,0,0|0,0,0]=2 93 B14R2.5637 O=C1CCCOC2=CC=C(C=C12)Br SYX00219 [1,0,0,1,0,0|1,0,0]=3 94 B14R2.5637 O=C1CCCOC2=CC=C(C=C12)F T319805 [1,0,0,1,0,0|1,0,0]=3 95 B14R2.8235 CC1=CC=C2OC(CC(=O)C2=C1)C PH010434 [1,0,0,1,0,0|1,0,0]=3 96 B14R2.8235 CC1CC(=O)C2=C(N1)C=CC(=C2)Cl R151998 [1,0,0,1,0,0|2,0,0]=4 97 B14R2.8667 CC1CC(=O)C2=C(C=CC(=C12)F)O T324019 [1,0,0,1,0,0|1,0,0]=3 98 B14R2.8667 CC1CC(=O)C2=C1C(=CC=C2O)O R152145 [1,0,0,1,0,0|0,0,0]=2 99 B14R2.30096 CC1=CC=C(C(=C1)C(=O)C2CC2)C S345172 [1,0,0,1,0,0|2,0,0]=4 100 B14R2.954 CC1=CC=C(C=C1C)C(=O)C2CC2 S345180 [1,0,0,1,0,0|2,0,0]=4 101 B14R2.28472 CC1=CC2=C(C=C1C)C(=O)CCC2 S876712 [1,0,0,1,0,0|2,0,0]=4 102 B14R2.739 OC1=CC=C(C(=C1)O)C2CCCC2 PH008554 [1,0,0,1,0,0|1,0,1]=4 103 B14R2.8719 O=C1CCCOC2=CC(=CC=C12)Br T325880 [1,0,0,1,0,0|1,0,0]=3 104 B14R2.9203 CC1=CC=C(C(=C1)C)C(=O)C2CC2 S345164 [1,0,0,1,0,0|2,0,0]=4 105 B16R2.382625 CC1(CC(=O)C2=CC(=C(C=C2O1)O)Cl)C T308617 [0,1,0,1,0,0|1,0,0]=3 106 B14R1.950 CCCC(=O)NC1=C(C=CC(=C1)C)O R343366 [1,0,0,0,0,1|1,0,0]=3 107 B14R1.950 CCCC(=O)NC1=CC(=CC=C1C)C L172243 [1,0,0,0,0,1|2,0,0]=4 108 B14R1.950 CCOC(=O)CC1=CC(=CC=C1O)Cl PH008586 [1,0,0,0,0,1|2,0,0]=4 109 B14R1.950 CCOC(=O)CC1=CC(=CC=C1O)O S544884 [1,0,0,0,0,1|1,0,0]=3 110 B14R1.6823 CCCC(=O)NC1=C(C=C(C=C1)C)Br R343609 [1,0,0,0,0,1|2,0,0]=4 111 B14R1.6823 CCOC(=O)NC1=C(C=C(C=C1)N)O S605557 [1,0,0,0,0,1|2,0,0]=4