0 B15R1.5924 CCCOC(=O)c1cc(c(c(c1)Cl)O)Cl TS62669 [0,0,0,0,0,0|2,0,0]=2 1 B15R1.5924 CCCOC(=O)c1cc(c(c(c1)O)O)O TS44143 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.941 Cc1ccc(cc1N)C(=O)OCCCl TS21568 [1,0,0,0,0,0|3,0,0]=4 3 B14R1.6821 CCOC(=O)c1cc(c(c(c1)C)N)C TS51653 [1,0,0,0,0,0|3,0,0]=4 4 B14R1.6821 CCOC(=O)c1cc(c(c(c1)Cl)N)Cl TS25481 [1,0,0,0,0,0|3,0,0]=4 5 B14R1.6821 CCOC(=O)c1cc(c(c(c1)Cl)O)Cl TS25682 [1,0,0,0,0,0|2,0,0]=3 6 B14R1.6821 CCOC(=O)c1cc(c(c(c1)I)N)Br TS66803 [1,0,0,0,0,0|3,0,0]=4 7 B14R1.6821 CCOC(=O)c1cc(c(c(c1)I)N)I TS81612 [1,0,0,0,0,0|3,0,0]=4 8 B14R1.6821 CCOC(=O)c1cc(c(c(c1)O)O)O TS53973 [1,0,0,0,0,0|0,0,0]=1 9 B16R1.3548 CCCCOC(=O)c1cc(c(c(c1)O)O)O TS24149 [0,1,0,0,0,0|0,0,0]=1 10 B16R1.52957 CC(C)COC(=O)c1cc(c(c(c1)N)Cl)N TS57784 [0,1,0,0,0,0|3,0,0]=4 11 B16R1.52957 CC(C)COC(=O)c1cc(c(c(c1)O)O)O TS24148 [0,1,0,0,0,0|0,0,0]=1 12 B13R1.55 CCCCCc1cc(cc(c1)O)O TS59336 [2,0,0,0,0,0|1,0,1]=4 13 B13R1.450 CCOC(=O)c1cc(cc(c1)C)C TS47549 [2,0,0,0,0,0|2,0,0]=4 14 B13R1.450 CCOC(=O)c1cc(cc(c1)Cl)Cl TS22542 [2,0,0,0,0,0|2,0,0]=4 15 B13R1.450 CCOC(=O)c1cc(cc(c1)I)Br TS79282 [2,0,0,0,0,0|2,0,0]=4 16 B13R1.450 CCOC(=O)c1cc(cc(c1)N)N TS47932 [2,0,0,0,0,0|2,0,0]=4 17 B13R1.450 CCOC(=O)c1cc(cc(c1)O)O TS48229 [2,0,0,0,0,0|0,0,0]=2 18 B13R1.17 CCCCC(=O)c1ccc(cc1)Br TS57511 [2,0,0,0,0,0|2,0,0]=4 19 B13R1.17 CCCCC(=O)c1ccc(cc1)C TS13895 [2,0,0,0,0,0|2,0,0]=4 20 B13R1.17 CCCCC(=O)c1ccc(cc1)Cl TS18384 [2,0,0,0,0,0|2,0,0]=4 21 B13R1.17 CCCCC(=O)c1ccc(cc1)F TS14626 [2,0,0,0,0,0|2,0,0]=4 22 B13R1.17 CCCCC(=O)c1ccc(cc1)O TS47561 [2,0,0,0,0,0|1,0,0]=3 23 B13R1.17 CCCOC(=O)c1ccc(cc1)N TS47727 [2,0,0,0,0,0|1,0,0]=3 24 B13R1.17 CCCOC(=O)c1ccc(cc1)O TS14591 [2,0,0,0,0,0|0,0,0]=2 25 B13R1.17 CCCOC(=O)c1ccc(cc1)O TS38227 [2,0,0,0,0,0|0,0,0]=2 26 B13R1.17 CCCOC(=O)c1ccc(cc1)O TS49461 [2,0,0,0,0,0|0,0,0]=2 27 B13R1.17 c1cc(ccc1C(=O)CCCCl)O TS39749 [2,0,0,0,0,0|2,0,0]=4 28 B13R1.17 c1cc(ccc1C(=O)OCCO)O TS14935 [2,0,0,0,0,0|1,0,0]=3 29 B13R1.466 CCOC(=O)c1cc(=O)c(co1)O TS48527 [2,0,0,0,0,0|1,0,1]=4 30 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)F TS62395 [2,0,0,0,0,0|2,0,0]=4 31 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)N TS61959 [2,0,0,0,0,0|2,0,0]=4 32 B13R1.466 CCOC(=O)c1ccc(c(c1)Br)O TS27263 [2,0,0,0,0,0|1,0,0]=3 33 B13R1.466 CCOC(=O)c1ccc(c(c1)C)Br TS33047 [2,0,0,0,0,0|2,0,0]=4 34 B13R1.466 CCOC(=O)c1ccc(c(c1)C)N TS85101 [2,0,0,0,0,0|2,0,0]=4 35 B13R1.466 CCOC(=O)c1ccc(c(c1)Cl)N TS37804 [2,0,0,0,0,0|2,0,0]=4 36 B13R1.466 CCOC(=O)c1ccc(c(c1)F)F TS48851 [2,0,0,0,0,0|2,0,0]=4 37 B13R1.466 CCOC(=O)c1ccc(c(c1)F)N TS65213 [2,0,0,0,0,0|2,0,0]=4 38 B13R1.466 CCOC(=O)c1ccc(c(c1)I)C TS58065 [2,0,0,0,0,0|2,0,0]=4 39 B13R1.466 CCOC(=O)c1ccc(c(c1)I)N TS58141 [2,0,0,0,0,0|2,0,0]=4 40 B13R1.466 CCOC(=O)c1ccc(c(c1)I)O TS35480 [2,0,0,0,0,0|1,0,0]=3 41 B13R1.466 CCOC(=O)c1ccc(c(c1)N)F TS48414 [2,0,0,0,0,0|2,0,0]=4 42 B13R1.466 CCOC(=O)c1ccc(c(c1)N)N TS47924 [2,0,0,0,0,0|2,0,0]=4 43 B13R1.466 CCOC(=O)c1ccc(c(c1)O)I TS58255 [2,0,0,0,0,0|1,0,0]=3 44 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O TS14929 [2,0,0,0,0,0|0,0,0]=2 45 B13R1.2678 CCC(=O)c1cc(c(c(c1)F)O)F TS48850 [2,0,0,0,0,0|2,0,0]=4 46 B13R1.2678 CNC(=O)c1cc(c(c(c1)O)Br)O TS62245 [2,0,0,0,0,0|2,0,0]=4 47 B13R1.2678 COC(=O)c1cc(c(c(c1)Br)O)Br TS76373 [2,0,0,0,0,0|2,0,0]=4 48 B13R1.2678 COC(=O)c1cc(c(c(c1)Cl)O)Cl TS23228 [2,0,0,0,0,0|2,0,0]=4 49 B13R1.2678 COC(=O)c1cc(c(c(c1)O)I)O TS58450 [2,0,0,0,0,0|1,0,0]=3 50 B13R1.2678 COC(=O)c1cc(c(c(c1)O)O)O TS48520 [2,0,0,0,0,0|0,0,0]=2 51 B13R1.2678 Cc1c(cc(cc1O)C(=O)OC)O TS48221 [2,0,0,0,0,0|1,0,0]=3 52 B13R1.2678 c1c(cc(c(c1O)O)O)C(=O)NN TS48531 [2,0,0,0,0,0|2,0,0]=4 53 B15R1.889 CC(C)NCC(=O)c1ccc(c(c1)O)O TS43628 [1,1,0,0,0,0|2,0,0]=4 54 B15R1.36498 CCOC(=O)c1cc(c(c(c1)Cl)OC)Cl TS62668 [1,1,0,0,0,0|2,0,0]=4 55 B17R1.76157 CC(C)CCOC(=O)c1cc(c(c(c1)O)O)O TS57367 [0,2,0,0,0,0|0,0,0]=2