0 B13R2.328 C1=CC=C2C(=C1)C(=O)C=C(N2)N PI-29594 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.328 C1=CC=C2C(=C1)C(=O)NC(=S)N2 PI-29128 [0,0,0,0,0,0|3,1,0]=4 2 B13R2.328 C1C2=CC=CC=C2C(=O)NC1=O PI-40295 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 PI-26707 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.328 ClP1OC(=O)c2ccccc2O1 PI-30693 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.328 O=C1OC(=O)c2c(C1)cccc2 PI-16185 [0,0,0,0,0,0|2,0,1]=3 6 B13R2.328 O=c1cc(O)c2ccccc2o1 PI-31737 [0,0,0,0,0,0|2,0,2]=4 7 B13R2.328 Oc1cc(C)c2c(n1)cccc2 PI-10848 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.328 Oc1cc(O)c2c(n1)cccc2 PI-16408 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.328 Oc1cc2ccccc2c(c1)O PI-25115 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 PI-16442 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CO2 PI-15386 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 PI-11697 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 PI-32512 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 PI-35016 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.1081 C1CNC2=CC=CC=C2C1=O PI-44146 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.1081 C1CSC2=CC=CC=C2C1=O PI-44168 [1,0,0,0,0,0|2,1,0]=4 18 B12R2.1081 O=C1CCOc2c1cccc2 PI-10312 [1,0,0,0,0,0|2,0,0]=3 19 B12R2.1081 O=C1NN=NC2=CC=CC=C12 PI-40803 [1,0,0,0,0,0|3,0,0]=4 20 B14R2.7724 O=C1C(O)=CC(C2=C1C=CC=C2)=O PI-41645 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.8045 C1=CC2=C(C(=C1)Br)NC(=O)OC2=O PI-40283 [0,1,0,0,0,0|2,0,1]=4 22 B14R2.8045 C1=CC2=C(C(=C1)Cl)NC(=O)OC2=O PI-40282 [0,1,0,0,0,0|2,0,1]=4 23 B14R2.8045 CC1=C2C(=CC=C1)C(=O)OC(=O)N2 PI-18804 [0,1,0,0,0,0|2,0,1]=4 24 B14R2.8235 C1=CC2=C(C=C1Br)C(=O)OC(=O)N2 PI-14459 [0,1,0,0,0,0|2,0,1]=4 25 B14R2.8235 C1=CC2=C(C=C1Cl)C(=O)OC(=O)N2 PI-18561 [0,1,0,0,0,0|2,0,1]=4 26 B14R2.8235 C1=CC2=C(C=C1O)C(=O)OC(=O)N2 PI-20780 [0,1,0,0,0,0|2,0,1]=4 27 B14R2.8235 CC1=CC2=C(C=C1)NC(=O)OC2=O PI-18557 [0,1,0,0,0,0|2,0,1]=4 28 B14R2.8235 CC1CC(=O)C2=C(O1)C=CC(=C2)F PI-23757 [0,1,0,0,0,0|3,0,0]=4 29 B14R2.8235 FC1=CC2=C(NC(=O)OC2=O)C=C1 PI-32993 [0,1,0,0,0,0|2,0,1]=4 30 B14R2.8235 Fc1ccc2[nH]c(=O)oc(=O)c2c1 PI-28121 [0,1,0,0,0,0|2,0,1]=4 31 B14R2.29365 C1=CC2=C(C=C1Cl)NC(=O)OC2=O PI-18532 [0,1,0,0,0,0|2,0,1]=4 32 B14R2.29365 C1=CC2=C(C=C1O)OC(=O)NC2=O PI-47793 [0,1,0,0,0,0|2,0,1]=4 33 B14R2.29365 CC1=CC2=C(C=C1)C(=O)NC(=O)O2 PI-47792 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.75 C1=CC=C(C(=C1)C=O)OC(F)F PI-21177 [0,0,1,0,0,0|3,0,0]=4 35 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 PI-50242 [0,0,1,0,0,0|3,0,0]=4 36 B12R1.283 C1=CC=C(C(=C1)CC#N)C(=O)O PI-18806 [0,0,1,0,0,0|3,0,0]=4 37 B12R1.283 CCOC1=CC=CC=C1C(=O)C PI-22025 [0,0,1,0,0,0|3,0,0]=4 38 B12R1.283 CCOC1=CC=CC=C1C(=O)Cl PI-31759 [0,0,1,0,0,0|3,0,0]=4 39 B12R1.283 CCOC1=CC=CC=C1C(=O)O PI-11840 [0,0,1,0,0,0|2,0,0]=3 40 B12R1.308 CCCC(=O)C1=CC=CC=C1O PI-15453 [0,0,1,0,0,0|3,0,0]=4 41 B12R1.308 CCOC(=O)C1=CC=CC=C1Br PI-50232 [0,0,1,0,0,0|3,0,0]=4 42 B12R1.308 CCOC(=O)C1=CC=CC=C1C PI-50249 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl PI-19869 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.308 CCOC(=O)C1=CC=CC=C1F PI-34135 [0,0,1,0,0,0|3,0,0]=4 45 B12R1.308 CCOC(=O)C1=CC=CC=C1I PI-50555 [0,0,1,0,0,0|3,0,0]=4 46 B12R2.18 C1C(C(=O)C2=CC=CC=C21)Br PI-30227 [0,0,0,0,1,0|3,0,0]=4 47 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [0,0,0,0,1,0|2,0,1]=4 48 B12R2.2028 C1=CC2=C(C(=O)OC2=O)N=C1 PI-16702 [0,0,0,0,1,0|2,0,1]=4 49 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)Br PI-22576 [0,0,0,0,1,0|2,0,0]=3 50 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)O PI-44675 [0,0,0,0,1,0|1,0,0]=2 51 B12R2.2028 C1C(=O)C2=CC=CC=C2C1=O PI-31372 [0,0,0,0,1,0|2,0,1]=4 52 B12R2.2028 O=C1NC(=O)c2c1cccc2 PI-33124 [0,0,0,0,1,0|2,0,1]=4 53 B11R1.16 C=COC(=O)C1=CC=CC=C1 PI-44652 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.16 CNOC(=O)C1=CC=CC=C1 PI-46922 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.16 O=C(OCCl)C1=CC=CC=C1 PI-40036 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.16 O\N=C\C(=O)c1ccccc1 PI-29665 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.91 OB(\C=C\c1ccccc1)O PI-25014 [1,0,1,0,0,0|2,0,0]=4 58 B11R1.53 C#CC1=CC=CC=C1C(=O)O PI-46516 [1,0,1,0,0,0|2,0,0]=4 59 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)O PI-10222 [1,0,1,0,0,0|2,0,0]=4 60 B11R1.53 C1=CC=CC(=C1CCl)C(O)=O PI-32625 [1,0,1,0,0,0|2,0,0]=4 61 B11R1.53 CNC1=CC=CC=C1C(=O)O PI-50482 [1,0,1,0,0,0|2,0,0]=4 62 B11R1.53 COC1=C(C=CN=C1)C(=O)O PI-28728 [1,0,1,0,0,0|2,0,0]=4 63 B11R1.53 COC1=CC=CC=C1C(=O)N PI-30368 [1,0,1,0,0,0|2,0,0]=4 64 B11R1.53 COc1ccccc1C(=O)C PI-12757 [1,0,1,0,0,0|2,0,0]=4 65 B11R1.53 COc1ccccc1C(=O)Cl PI-11858 [1,0,1,0,0,0|2,0,0]=4 66 B11R1.53 COc1ncccc1C(=O)O PI-16704 [1,0,1,0,0,0|2,0,0]=4 67 B11R1.53 NNc1ccccc1C(=O)O PI-18621 [1,0,1,0,0,0|2,0,0]=4 68 B11R1.53 O=Cc1ccccc1C(=O)O PI-36784 [1,0,1,0,0,0|1,0,1]=4 69 B11R1.222 BrCC(=O)c1ccccc1O PI-31566 [1,0,1,0,0,0|2,0,0]=4 70 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)O PI-29980 [1,0,1,0,0,0|2,0,0]=4 71 B11R1.222 CC(=NO)C1=CC=CC=C1O PI-29083 [1,0,1,0,0,0|2,0,0]=4 72 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [1,0,1,0,0,0|2,0,0]=4 73 B11R1.222 COC(=O)C1=C(C=NC=C1)O PI-34886 [1,0,1,0,0,0|2,0,0]=4 74 B11R1.222 COC(=O)C1=CC=CC=C1Br PI-50462 [1,0,1,0,0,0|2,0,0]=4 75 B11R1.222 COC(=O)C1=CC=CC=C1Cl PI-34231 [1,0,1,0,0,0|2,0,0]=4 76 B11R1.222 COC(=O)C1=CC=CC=C1F PI-34134 [1,0,1,0,0,0|2,0,0]=4 77 B11R1.222 COC(=O)C1=CC=CC=C1S PI-50244 [1,0,1,0,0,0|1,1,0]=4 78 B11R1.222 COC(=O)c1ccccc1I PI-10942 [1,0,1,0,0,0|2,0,0]=4 79 B11R1.222 COC(=O)c1ncccc1O PI-31931 [1,0,1,0,0,0|2,0,0]=4 80 B11R1.222 ONC(=O)c1ccccc1O PI-31365 [1,0,1,0,0,0|1,0,0]=3 81 B13R1.382 CCOC1=CC=CC=C1C(=O)OC PI-13178 [0,1,1,0,0,0|2,0,0]=4 82 B13R1.572 CCCOc1ccccc1C(=O)O PI-25329 [0,1,1,0,0,0|2,0,0]=4 83 B13R1.12 CCOC(=O)C1=C(C(=CC=C1)O)O PI-44073 [0,1,1,0,0,0|2,0,0]=4 84 B13R1.446 CCOC(=O)C1=C(C=CC(=C1)Br)O PI-50604 [0,1,1,0,0,0|2,0,0]=4 85 B13R1.464 CCOC(=O)C1=CC=CC=C1OC PI-13750 [0,1,1,0,0,0|2,0,0]=4 86 B13R1.674 CCCOC(=O)C1=CC=CC=C1O PI-50398 [0,1,1,0,0,0|2,0,0]=4 87 B13R1.4453 CCOC(=O)c1c(C)cccc1O PI-16535 [0,1,1,0,0,0|2,0,0]=4 88 B13R2.342 C1COC2=C(C1=O)C=CC=C2Br PI-32686 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.342 C1COC2=C(C1=O)C=CC=C2Cl PI-32685 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.342 C1COC2=C(C1=O)C=CC=C2F PI-32684 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.342 C1COC2=C(C1=O)C=CC=C2I PI-32687 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.4818 O=C1CCOC2=C1C(F)=CC=C2 PI-32690 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.4857 C1=CC2=C(C(=C1)Cl)C(=O)OC2=O PI-10203 [0,1,0,0,1,0|1,0,1]=4 94 B13R2.4857 O=C1OC(=O)c2c1c(F)ccc2 PI-10663 [0,1,0,0,1,0|1,0,1]=4 95 B13R2.4857 O=C1OC(=O)c2cccc(C)c12 PI-17479 [0,1,0,0,1,0|1,0,1]=4 96 B13R2.4857 O=C1OC(=O)c2cccc(O)c12 PI-17470 [0,1,0,0,1,0|1,0,1]=4 97 B13R2.5187 Brc1ccc2C(=O)OC(=O)c2c1 PI-22575 [0,1,0,0,1,0|1,0,1]=4 98 B13R2.5187 C1=C(Cl)C=CC2=C1C(OC2=O)=O PI-16083 [0,1,0,0,1,0|1,0,1]=4 99 B13R2.5187 C1=CC2=C(C=C1F)C(=O)OC2=O PI-10664 [0,1,0,0,1,0|1,0,1]=4 100 B13R2.5187 C1=CC2=C(C=C1O)C(=O)OC2=O PI-45413 [0,1,0,0,1,0|1,0,1]=4 101 B13R2.5187 Cc1ccc2c(c1)C(=O)OC2=O PI-31763 [0,1,0,0,1,0|1,0,1]=4 102 B13R2.12159 O=C1OS(=O)(=O)c2c1cccc2 PI-18005 [0,1,0,0,1,0|1,0,1]=4 103 B15R2.14951 C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)O PI-28580 [0,2,0,0,0,0|2,0,0]=4 104 B13R2.5569 C1=CC2=C(C(=C1)C(=O)O)OC=C2 PI-45419 [0,0,1,1,0,0|2,0,0]=4 105 B13R2.5569 C1COC2=C1C=CC=C2C(=O)O PI-17208 [0,0,1,1,0,0|2,0,0]=4 106 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,0,1,0,1,0|1,0,1]=4 107 B11R2.1 B1(C2=CC=CC=C2CO1)O PI-25687 [1,0,0,0,1,0|1,0,1]=4 108 B11R2.10 BrB1Oc2c(O1)cccc2 PI-38370 [1,0,0,0,1,0|2,0,0]=4 109 B11R2.10 C1=CC=C2C(=C1)C=C(O2)Br PI-45424 [1,0,0,0,1,0|2,0,0]=4 110 B11R2.10 ClB1Oc2c(O1)cccc2 PI-38371 [1,0,0,0,1,0|2,0,0]=4