0 B14R2.7724 Brc1cc(Br)c2c(c1O)nccc2 PI-33033 [0,0,0,0,0,0|0,2,0]=2 1 B14R2.7724 Brc1cc(Cl)c2cccnc2c1O PI-29908 [0,0,0,0,0,0|0,1,0]=1 2 B14R2.7724 C1=CC=C2C(=C1)C(=CC(=C2O)Br)Br PI-18316 [0,0,0,0,0,0|1,2,0]=3 3 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O PI-44841 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O PI-44865 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.7724 Ic1cc(Cl)c2cccnc2c1O PI-13586 [0,0,0,0,0,0|0,0,0]=0 6 B14R2.7724 O=C1C(O)=CC(C2=C1C=CC=C2)=O PI-41645 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.7724 OC1=C2N=CC=CC2=C(Cl)C=C1Cl PI-33032 [0,0,0,0,0,0|0,1,0]=1 8 B13R2.32 Brc1ccc2c(c1O)cccc2 PI-39182 [1,0,0,0,0,0|1,1,0]=3 9 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-18432 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-25084 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)F PI-18694 [1,0,0,0,0,0|1,1,0]=3 12 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)N PI-18543 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)O PI-25690 [1,0,0,0,0,0|2,0,0]=3 14 B13R2.32 C1=CC=C2C(=C1)C=CC(=O)C2=O PI-25638 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.32 C1=CC=C2C(=C1)C=NC(=C2O)Cl PI-44810 [1,0,0,0,0,0|2,1,0]=4 16 B13R2.32 C1=CC=C2C(=C1)C=NC(=C2O)Cl PI-44835 [1,0,0,0,0,0|2,1,0]=4 17 B13R2.32 C1=CNC2=C(C(=O)C=CC2=C1)Cl PI-44809 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)Br PI-11689 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.32 CC1=C(C2=CC=CC=C2C=C1)O PI-18875 [1,0,0,0,0,0|2,0,0]=3 20 B13R2.32 Cc1ccc2ccccc2c1C PI-25689 [1,0,0,0,0,0|3,0,0]=4 21 B13R2.32 Cc1ccc2ccccc2c1N PI-18358 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.32 NC1=CC=C2N=CC=NC2=C1Br PI-33790 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.32 OC1=C(Br)C=CC2=C1C=CC=C2 PI-39181 [1,0,0,0,0,0|1,1,0]=3 24 B13R2.32 Oc1ccc2c(c1Br)cccc2 PI-25688 [1,0,0,0,0,0|3,0,0]=4 25 B13R2.328 C1=CC2=C(N=C(C=C2N=C1)Cl)Cl PI-48024 [1,0,0,0,0,0|1,1,0]=3 26 B13R2.328 C1=CC2=C(N=C1)N=C(N=C2Cl)Cl PI-48261 [1,0,0,0,0,0|2,1,0]=4 27 B13R2.328 C1=CC=C2C(=C1)C(=CC(=N2)Cl)Cl PI-29861 [1,0,0,0,0,0|2,1,0]=4 28 B13R2.328 Cc1cc2ccccc2c(c1)C PI-25697 [1,0,0,0,0,0|3,0,0]=4 29 B13R2.328 Clc1cc2ccccc2c(n1)Cl PI-31690 [1,0,0,0,0,0|2,1,0]=4 30 B13R2.328 OC1=CC2=NC=CC=C2C(O)=N1 PI-40520 [1,0,0,0,0,0|3,0,0]=4 31 B13R2.328 Oc1cc2ccccc2c(c1)O PI-25115 [1,0,0,0,0,0|3,0,0]=4 32 B13R2.371 Brc1ccc(N)c2ccccc12 PI-14332 [1,0,0,0,0,0|2,1,0]=4 33 B13R2.371 Brc1ccc(N)c2ncccc12 PI-22597 [1,0,0,0,0,0|1,1,0]=3 34 B13R2.371 Brc1ccc(c2c1cccc2)Br PI-18921 [1,0,0,0,0,0|2,1,0]=4 35 B13R2.371 C1=CC(=C2C=NC=CC2=C1Cl)Cl PI-17670 [1,0,0,0,0,0|3,0,0]=4 36 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)N)Br PI-22596 [1,0,0,0,0,0|1,1,0]=3 37 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)O)Cl PI-33668 [1,0,0,0,0,0|0,0,0]=1 38 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)O)F PI-23594 [1,0,0,0,0,0|0,1,0]=2 39 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)O)N PI-28270 [1,0,0,0,0,0|1,0,0]=2 40 B13R2.371 C1=CC2=C(C=CC(=C2N=C1)O)N PI-42099 [1,0,0,0,0,0|1,0,0]=2 41 B13R2.371 C1=CC=C2C(=C1)C(=CC=C2O)O PI-25685 [1,0,0,0,0,0|2,0,0]=3 42 B13R2.371 C1=CC=C2C(=C1)C(=CN=C2Cl)Cl PI-44410 [1,0,0,0,0,0|3,0,0]=4 43 B13R2.371 C1=CC=C2C(=C1)C(=CNC2=O)Cl PI-17569 [1,0,0,0,0,0|2,0,1]=4 44 B13R2.371 CC1=CC=C(C2=CC=CC=C12)Br PI-25776 [1,0,0,0,0,0|2,1,0]=4 45 B13R2.371 Cc1ccc(c2c1cccc2)C PI-25684 [1,0,0,0,0,0|3,0,0]=4 46 B13R2.371 Clc1ccc(c2c1cccc2)O PI-25723 [1,0,0,0,0,0|1,0,0]=2 47 B13R2.371 Clc1ncc(c2c1cccc2)Br PI-29841 [1,0,0,0,0,0|3,0,0]=4 48 B13R2.371 FC1=C2C=CC=CC2=C(Br)C=C1 PI-14447 [1,0,0,0,0,0|2,1,0]=4 49 B13R2.371 Ic1ccc(c2c1cccc2)Br PI-37961 [1,0,0,0,0,0|2,1,0]=4 50 B13R2.371 Oc1ccc(c2c1cccc2)N PI-25713 [1,0,0,0,0,0|2,0,0]=3 51 B15R2.63927 OC1=C2N=C(C)C=CC2=C(Cl)C=C1Cl PI-28786 [0,1,0,0,0,0|0,1,0]=2 52 B12R2.24 Brc1ccc2c(c1)nccn2 PI-38987 [2,0,0,0,0,0|1,1,0]=4 53 B12R2.24 Brc1ccc2ccccc2c1 PI-11812 [2,0,0,0,0,0|1,1,0]=4 54 B12R2.24 C1=CC2=C(C=C(C=C2)N)N=C1 PI-45912 [2,0,0,0,0,0|1,0,0]=3 55 B12R2.24 C1=CC2=NC=C(C=C2N=C1)I PI-45476 [2,0,0,0,0,0|1,0,0]=3 56 B12R2.24 C1=CC2=NC=C(C=C2N=C1)N PI-45475 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl PI-24669 [2,0,0,0,0,0|1,1,0]=4 58 B12R2.24 CC1=CC2=NC=CN=C2C=C1 PI-33134 [2,0,0,0,0,0|2,0,0]=4 59 B12R2.24 FC1=CC=C2C=CC=CC2=C1 PI-37208 [2,0,0,0,0,0|1,1,0]=4 60 B12R2.24 Ic1ccc2c(c1)cccc2 PI-18754 [2,0,0,0,0,0|1,0,0]=3 61 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.24 Nc1ccc2c(c1)nccn2 PI-33792 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.24 Oc1ccc2c(c1)nccc2 PI-12046 [2,0,0,0,0,0|1,0,0]=3 64 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PI-25970 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.1081 Brc1cccc2ccccc12 PI-34202 [2,0,0,0,0,0|1,1,0]=4 66 B12R2.1081 C1=CC2=C(C(=C1)Br)N=CC=C2 PI-14517 [2,0,0,0,0,0|1,0,0]=3 67 B12R2.1081 C1=CC2=C(C(=C1)Cl)N=CC=C2 PI-29757 [2,0,0,0,0,0|1,0,0]=3 68 B12R2.1081 C1=CC2=C(C(=C1)O)N=CC=C2 PI-32036 [2,0,0,0,0,0|0,0,0]=2 69 B12R2.1081 C1=CC2=C(C(=C1)S)N=CC=C2 PI-12049 [2,0,0,0,0,0|0,1,0]=3 70 B12R2.1081 C1=CC2=C(C(=C1)[O-])N=CC=C2 PI-33667 [2,0,0,0,0,0|0,0,1]=3 71 B12R2.1081 C1=CC2=C(C(=C1)[O-])N=CC=C2 PI-37979 [2,0,0,0,0,0|0,0,1]=3 72 B12R2.1081 C1=CC2=C(C(=NC=C2)N)N=C1 PI-14582 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.1081 C1=CC2=C(C=CC=N2)C(=C1)I PI-48538 [2,0,0,0,0,0|0,1,0]=3 74 B12R2.1081 C1=CC2=C(C=CN=C2)C(=C1)Cl PI-17702 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.1081 C1=CC2=NC=CN=C2C(=C1)Br PI-48535 [2,0,0,0,0,0|1,1,0]=4 76 B12R2.1081 C1=CC=C(C2=CC=CN=C12)Br PI-29629 [2,0,0,0,0,0|0,1,0]=3 77 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2S PI-18636 [2,0,0,0,0,0|1,1,0]=4 78 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Cl PI-29294 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.1081 CC1=C2C=CC=NC2=CC=C1 PI-48532 [2,0,0,0,0,0|1,0,0]=3 80 B12R2.1081 ClC1=C2C=CC=NC2=CC=C1 PI-29809 [2,0,0,0,0,0|0,0,0]=2 81 B12R2.1081 Clc1cccc2ccccc12 PI-32014 [2,0,0,0,0,0|1,0,0]=3 82 B12R2.1081 Fc1cccc2ccccc12 PI-28374 [2,0,0,0,0,0|1,1,0]=4 83 B12R2.1081 IC1=CC=CC2=C1C=CC=C2 PI-10978 [2,0,0,0,0,0|1,1,0]=4 84 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 PI-28683 [2,0,0,0,0,0|1,0,0]=3 85 B12R2.1081 Nc1cccc2c1nccc2 PI-31237 [2,0,0,0,0,0|1,0,0]=3 86 B12R2.1081 Oc1cccc2ncccc12 PI-29714 [2,0,0,0,0,0|1,0,0]=3 87 B12R2.1081 [O-]c1cccc2c1nccc2 PI-33666 [2,0,0,0,0,0|0,0,1]=3 88 B12R2.1081 [O-]c1cccc2c1nccc2 PI-38357 [2,0,0,0,0,0|0,0,1]=3 89 B14R2.92 C1=CC=C2C(=C1)C=CC(=C2O)N=O PI-18151 [1,1,0,0,0,0|2,0,0]=4 90 B14R2.4513 O=c1ccc2c(o1)c(O)c(cc2)O PI-12766 [1,1,0,0,0,0|2,0,0]=4 91 B14R2.1131 COC1=C2C=CC=NC2=C(C=C1)N PI-25423 [1,1,0,0,0,0|2,0,0]=4 92 B14R2.1131 ClCc1ccc(O)c2ncccc12 PI-36886 [1,1,0,0,0,0|0,0,0]=2 93 B14R2.1131 OC1=C2C=CC=CC2=C(OC)C=C1 PI-25872 [1,1,0,0,0,0|2,0,0]=4