0 B13R1.510 C1=CC(=C(C=C1C(C(=O)O)O)O)O PI-27202 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 PI-26031 [1,0,0,0,0,0|2,0,1]=4 2 B12R1.20 CC(C(=O)C1=CC=C(C=C1)O)Br PI-31561 [1,0,0,0,0,0|1,0,2]=4 3 B12R1.20 OC(c1ccc(cc1)Cl)C(N)C PI-10554 [1,0,0,0,0,0|1,0,0]=2 4 B12R1.225 CC(C)C(C1=CC(=CC=C1)F)N PI-34609 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-11648 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-33405 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-44342 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.225 CC(C1=CC(=CC=C1)O)N(C)C PI-44343 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.367 C1=CC(=C(C=C1C(=O)CCl)O)O PI-12891 [1,0,0,0,0,0|1,0,2]=4 10 B12R1.367 C1=CC(=C(C=C1C(=O)NN)O)O PI-30566 [1,0,0,0,0,0|1,0,2]=4 11 B12R1.367 C1=CC(=C(C=C1C(CN)O)O)O PI-10337 [1,0,0,0,0,0|0,0,0]=1 12 B12R1.367 C1=CC(=C(C=C1C(CO)O)O)O PI-26530 [1,0,0,0,0,0|1,0,0]=2 13 B12R1.367 C1=CC(=C(C=C1[C@@H](CCl)O)Cl)Cl PI-49810 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.367 CCC(=O)C1=CC(=C(C=C1)O)O PI-17412 [1,0,0,0,0,0|0,0,2]=3 15 B12R1.367 COC(=O)c1ccc(O)c(O)c1 PI-18336 [1,0,0,0,0,0|1,0,2]=4 16 B14R1.41 COC1=C(C=CC(=C1)C(C(=O)O)O)O PI-27381 [0,1,0,0,0,0|2,0,1]=4 17 B14R1.3652 COc1ccc(cc1O)C(C(=O)O)O PI-27527 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.20 C1=CC(=CC=C1CC(=O)N)O PI-16441 [2,0,0,0,0,0|1,0,1]=4 19 B11R1.20 CC(C)CC1=CC=C(C=C1)Br PI-13179 [2,0,0,0,0,0|2,0,0]=4 20 B11R1.192 C1=CC(=C(C=C1CCO)O)O PI-27061 [2,0,0,0,0,0|1,0,0]=3 21 B11R1.192 C=CCC1=CC(=C(C=C1)O)O PI-41465 [2,0,0,0,0,0|0,0,2]=4 22 B11R1.192 NCCc1ccc(c(c1)C)C PI-23900 [2,0,0,0,0,0|2,0,0]=4 23 B11R1.22 C1=CC(=CC=C1C(=O)CN)O PI-49411 [2,0,0,0,0,0|0,0,2]=4 24 B11R1.22 C1=CC(=CC=C1[C@@H](CCl)O)F PI-49814 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.23 C1=CC(=CC(=C1)Br)C(CN)O PI-36568 [2,0,0,0,0,0|1,0,0]=3 26 B11R1.23 C1=CC(=CC(=C1)O)C(CN)O PI-41192 [2,0,0,0,0,0|0,0,0]=2 27 B11R1.23 CCC(=O)C1=CC(=CC=C1)O PI-17471 [2,0,0,0,0,0|0,0,2]=4 28 B11R1.21 C1=CC(=C(C=C1C(=O)N)O)O PI-11250 [2,0,0,0,0,0|0,0,2]=4 29 B11R1.21 CC(C1=CC=C(O)C(O)=C1)=O PI-29084 [2,0,0,0,0,0|0,0,2]=4 30 B11R1.21 OC(=O)c1ccc(O)c(O)c1 PI-20424 [2,0,0,0,0,0|1,0,1]=4 31 B13R1.52 COc1cc(ccc1O)CC(=O)C PI-31129 [1,1,0,0,0,0|1,0,1]=4 32 B13R1.2879 COC(=O)CC1=CC(=C(C=C1)O)O PI-26350 [1,1,0,0,0,0|1,0,1]=4 33 B13R1.49 CCC(=O)C1=CC(OC)=C(O)C=C1 PI-12814 [1,1,0,0,0,0|0,0,2]=4 34 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)O)O PI-22087 [1,1,0,0,0,0|0,0,2]=4 35 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O PI-10336 [1,1,0,0,0,0|0,0,0]=2 36 B13R1.466 CNCC(C1=CC(=C(C=C1)O)O)O PI-16617 [1,1,0,0,0,0|0,0,0]=2 37 B13R1.466 CNCC(O)c1ccc(O)c(O)c1 PI-16619 [1,1,0,0,0,0|0,0,0]=2 38 B13R2.522 C1C(C1N)C2=CC(=C(C=C2)F)F PI-37774 [1,0,0,1,0,0|2,0,0]=4 39 B13R2.522 C1C(C1N)C2=CC(=C(C=C2)F)F PI-45675 [1,0,0,1,0,0|2,0,0]=4 40 B13R2.522 C1C(C1N)C2=CC(=C(C=C2)F)F PI-45913 [1,0,0,1,0,0|2,0,0]=4 41 B13R2.522 N[C@@H]1C[C@H]1c2ccc(c(c2)F)F PI-38114 [1,0,0,1,0,0|2,0,0]=4 42 B13R2.522 N[C@@H]1[C@@H]([C@]2=CC=C(F)C(F)=C2)C1 PI-37765 [1,0,0,1,0,0|2,0,0]=4 43 B13R2.520 C1CC1C(C2=CC=C(C=C2)Br)O PI-17024 [1,0,0,1,0,0|2,0,0]=4 44 B13R2.520 C1CC1C(C2=CC=C(C=C2)F)O PI-19924 [1,0,0,1,0,0|2,0,0]=4 45 B15R1.889 CC(C)NCC(C1=CC(=C(C=C1)O)O)O PI-10793 [0,0,0,0,0,2|1,0,0]=3 46 B15R1.889 CC(C)NCC(C1=CC(=C(C=C1)O)O)O PI-25167 [0,0,0,0,0,2|1,0,0]=3 47 B15R1.889 CC(NCC(c1ccc(c(c1)O)O)O)C PI-31510 [0,0,0,0,0,2|1,0,0]=3