0 B14R1.42 CC(CCC1=CC=C(O)C(OC)=C1)=O PI-41587 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)O)F PI-10642 [0,0,0,0,0,0|2,0,2]=4 2 B14R1.42 COC1=C(C=CC(=C1)C=CC(=O)[O-])O PI-45839 [0,0,0,0,0,0|1,0,2]=3 3 B14R1.42 COC1=C(C=CC(=C1)CCC(=O)O)O PI-29066 [0,0,0,0,0,0|1,0,0]=1 4 B14R1.42 COc1cc(\C=C/C(=O)O)ccc1O PI-10204 [0,0,0,0,0,0|1,0,2]=3 5 B13R1.511 CC1=C(C=C(C=C1)OCC(=O)O)C PI-21974 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.511 O=C(O)CCC1=CC=C(O)C(O)=C1 PI-11882 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.511 OC(=O)CCc1ccc(c(c1)F)F PI-21170 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.511 OC(=O)\C=C\c1ccc(c(c1)O)O PI-11525 [1,0,0,0,0,0|1,0,2]=4 9 B13R1.575 CCOCC1=CC(=C(C=C1)O)OC PI-48477 [1,0,0,0,0,0|1,0,1]=3 10 B13R1.643 COC1=CC(=CC=C1)OCC(=O)O PI-29330 [1,0,0,0,0,0|2,0,0]=3 11 B13R1.643 COc1cccc(c1)\C=C\C(=O)O PI-25013 [1,0,0,0,0,0|1,0,2]=4 12 B15R1.4039 O=C(OC)\C=C\C1=CC=C(O)C(OC)=C1 PI-41751 [0,1,0,0,0,0|0,0,2]=3 13 B15R1.12854 COC1=C(C=C(C=C1)C=CC(=O)O)OC PI-31117 [0,1,0,0,0,0|1,0,2]=4 14 B15R1.12854 COC1=C(C=C(C=C1)CCC(=O)O)OC PI-11504 [0,1,0,0,0,0|1,0,0]=2 15 B15R1.12854 COC1=C(C=C(C=C1)SCC(=O)O)OC PI-29989 [0,1,0,0,0,0|2,0,0]=3 16 B15R1.12854 COC1=C(C=CC(=C1)OCC(=O)O)C=O PI-29945 [0,1,0,0,0,0|2,0,1]=4 17 B15R1.12854 COC1=C(C=CC(=C1)OCC(=O)O)CO PI-29935 [0,1,0,0,0,0|2,0,0]=3 18 B15R1.12854 COc1cc(\C=C\C(=O)O)ccc1OC PI-38252 [0,1,0,0,0,0|1,0,2]=4 19 B15R2.1754 COC1=C(O)C=C2OC(=O)C=CC2=C1 PI-41748 [0,0,0,1,0,0|1,0,2]=4 20 B15R2.7688 C1OC2=C(O1)C=C(C=C2)C=CC(=O)O PI-31720 [0,0,0,1,0,0|1,0,2]=4 21 B15R2.7688 C1OC2=C(O1)C=C(C=C2)CCC(=O)O PI-30422 [0,0,0,1,0,0|1,0,0]=2 22 B13R1.52 COC1=C(C=CC(=C1)CC(=O)O)O PI-28359 [0,0,0,0,1,0|1,0,0]=2 23 B13R1.52 COc1cc(ccc1O)CC(=O)C PI-31129 [0,0,0,0,1,0|0,0,0]=1 24 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Br PI-22539 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.21 C1=CC(=CC=C1CCC(=O)O)F PI-16999 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.21 C1=CC(=CC=C1NCC(=O)O)O PI-17923 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O PI-29472 [2,0,0,0,0,0|0,0,2]=4 28 B12R1.21 CC(=O)CSC1=CC=C(C=C1)Cl PI-30390 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.21 CC(CCC1=CC=C(O)C=C1)=O PI-37298 [2,0,0,0,0,0|0,0,0]=2 30 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-20840 [2,0,0,0,0,0|2,0,0]=4 31 B12R1.21 CN(C)CCC1=CC=C(C=C1)O PI-21785 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.21 C[C@H](CCc1ccc(cc1)O)O PI-38464 [2,0,0,0,0,0|0,0,2]=4 33 B12R1.21 OC(=O)CCc1ccc(O)cc1 PI-11883 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.21 OC(=O)CCc1ccc(cc1)C PI-12005 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.21 OC(=O)CCc1ccc(cc1)Cl PI-11982 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O PI-20848 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O PI-24369 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.226 CC1=CC(=CC=C1)OCC(=O)O PI-50532 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.226 OC(=O)CCc1cccc(c1)Br PI-22538 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.226 OC(=O)CCc1cccc(c1)F PI-16998 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.385 CCCCC1=CC(=C(C=C1)I)C PI-19229 [2,0,0,0,0,0|1,0,1]=4 42 B12R1.286 COC1=C(C=CC(=C1)CCN)Br PI-48277 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.286 COC1=C(C=CC(=C1)CCN)O PI-20794 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.286 OCCc1ccc(c(c1)OC)O PI-27378 [2,0,0,0,0,0|0,0,1]=3 45 B14R1.686 C1=CC(=C(C=C1CC(=O)C(=O)O)O)O PI-34062 [1,1,0,0,0,0|1,0,1]=4 46 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)Cl)O PI-25821 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)F)O PI-27890 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)N)O PI-27366 [1,1,0,0,0,0|2,0,0]=4 49 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O PI-12967 [1,1,0,0,0,0|1,0,0]=3 50 B14R1.686 C1=CC(=C(C=C1CC(C(=O)O)N)O)O PI-44569 [1,1,0,0,0,0|1,0,0]=3 51 B14R1.686 CC1=C(C=C(C=C1)CC(C(=O)O)N)C PI-33681 [1,1,0,0,0,0|2,0,0]=4 52 B14R1.686 CC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O PI-48177 [1,1,0,0,0,0|1,0,0]=3 53 B14R1.686 NC(CC1=CC(O)=C(O)C=C1)C(O)=O PI-38725 [1,1,0,0,0,0|1,0,0]=3 54 B14R1.686 N[C@@H](CC1=CC(Br)=C(C=C1)O)C(O)=O PI-37231 [1,1,0,0,0,0|2,0,0]=4 55 B14R1.686 OC(=O)[C@H](Cc1ccc(c(c1)I)O)N PI-18843 [1,1,0,0,0,0|2,0,0]=4 56 B14R1.833 COC(=O)\C=C\c1ccc(c(c1)O)O PI-38381 [1,1,0,0,0,0|0,0,2]=4 57 B14R1.793 CNCCC1=CC(=C(C=C1)OC)OC PI-32917 [1,1,0,0,0,0|1,0,0]=3 58 B14R1.41 COC1=C(C=CC(=C1)C(C(=O)O)O)O PI-27381 [0,1,0,0,1,0|1,0,0]=3 59 B14R1.343 COc1cc(CC(=O)O)cc(Br)c1O PI-21510 [0,1,0,0,1,0|1,0,0]=3 60 B14R1.439 CCOc1cc(ccc1O)CC(=O)O PI-26915 [0,1,0,0,1,0|1,0,0]=3 61 B14R1.3651 CC(=O)CC1=CC(=C(C=C1)OC)OC PI-12160 [0,1,0,0,1,0|0,0,0]=2 62 B14R1.3651 COC1=C(C=C(C=C1)CC(=O)Cl)OC PI-30039 [0,1,0,0,1,0|1,0,0]=3 63 B14R1.3651 COC1=C(C=C(C=C1)CC(=S)N)OC PI-23351 [0,1,0,0,1,0|1,1,0]=4 64 B14R1.3651 COc1cc(ccc1OC)CC(=O)O PI-32560 [0,1,0,0,1,0|1,0,0]=3 65 B16R1.4275 COC1=C(C=C(C=C1)CCCC(=O)O)OC PI-26115 [0,1,0,0,0,1|1,0,0]=3 66 B16R1.4274 COC1=C(C=C(C=C1)CC(C(=O)O)N)OC PI-28638 [0,2,0,0,0,0|1,0,0]=3 67 B16R1.4274 COC1=C(C=C(C=C1)CC(C(=O)O)N)OC PI-43736 [0,2,0,0,0,0|1,0,0]=3 68 B16R1.15083 CCOC(=O)C=CC1=CC(=C(C=C1)O)OC PI-31186 [0,2,0,0,0,0|0,0,2]=4 69 B14R2.8239 C1CC2=CC(=C(C=C2CC1N)O)O PI-18864 [1,0,0,1,0,0|1,0,1]=4 70 B14R2.8239 CN1CCC2=CC(=C(C=C2C1)O)O PI-29817 [1,0,0,1,0,0|2,0,0]=4 71 B14R2.2332 COc1ccc2CC(=O)CCc2c1 PI-16454 [1,0,0,1,0,0|0,0,0]=2 72 B14R2.11684 COC1=CC=CC2=C1CC(=O)CC2 PI-17784 [1,0,0,1,0,0|0,0,0]=2 73 B14R2.1008 ClC(=O)Cc1ccc2OCOc2c1 PI-14793 [0,0,0,1,1,0|1,0,0]=3 74 B14R2.1008 OC(=O)Cc1ccc2c(c1)OCO2 PI-26528 [0,0,0,1,1,0|1,0,0]=3 75 B16R2.1461 COC1=C(C=C2COC(=O)CC2=C1)OC PI-26183 [0,1,0,1,0,0|1,0,0]=3 76 B16R2.1461 COc1cc2CC(=O)CCc2cc1OC PI-17744 [0,1,0,1,0,0|0,0,0]=2 77 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Br)O PI-10051 [1,0,0,0,1,0|2,0,0]=4 78 B12R1.19 C1=CC(=C(C=C1CC(=O)O)Cl)O PI-30493 [1,0,0,0,1,0|2,0,0]=4 79 B12R1.19 CC(=O)NC1=CC(=C(C=C1)O)Cl PI-19534 [1,0,0,0,1,0|2,0,0]=4 80 B12R1.19 OC(=O)Cc1ccc(O)c(O)c1 PI-26031 [1,0,0,0,1,0|1,0,0]=3 81 B12R1.19 OC(=O)Cc1ccc(c(c1)F)O PI-30640 [1,0,0,0,1,0|2,0,0]=4 82 B12R1.438 COC1=CC=CC(=C1)CC(=O)O PI-15442 [1,0,0,0,1,0|1,0,0]=3 83 B12R1.56 CC(=O)C1=CC(=C(C=C1)F)OC PI-30823 [0,0,0,0,2,0|1,0,0]=3 84 B12R1.56 CC(=O)C1=CC(=C(C=C1)O)CCl PI-16156 [0,0,0,0,2,0|2,0,0]=4 85 B12R1.56 COC1=C(C=CC(=C1)C(=O)O)F PI-34251 [0,0,0,0,2,0|2,0,0]=4 86 B12R1.56 COC1=C(C=CC(=C1)[N+](=O)[O-])O PI-27481 [0,0,0,0,2,0|2,0,0]=4 87 B12R1.56 COc1cc(ccc1Br)C(=O)O PI-35857 [0,0,0,0,2,0|2,0,0]=4 88 B12R1.56 COc1cc(ccc1Cl)C(=O)O PI-27953 [0,0,0,0,2,0|2,0,0]=4 89 B12R1.56 COc1cc(ccc1N)C(=O)O PI-30375 [0,0,0,0,2,0|2,0,0]=4 90 B12R1.56 COc1cc(ccc1O)C(=O)O PI-31895 [0,0,0,0,2,0|1,0,0]=3 91 B12R1.56 O=C(C1=CC=C(O)C(OC)=C1)C PI-46830 [0,0,0,0,2,0|0,0,0]=2 92 B12R1.56 O=C(O)C1=CC=C(C)C(OC)=C1 PI-10102 [0,0,0,0,2,0|2,0,0]=4