0 B13R2.369 C1=CC=C2C(=C1)C=C(C(=N2)Br)Br PI-50065 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)Br)Br PI-18146 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.369 C1=CC=C2C=C(C(=CC2=C1)N)O PI-25656 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.369 C1CN=CC2=CC(=C(C=C21)O)O PI-17739 [0,0,0,0,0,0|1,0,3]=4 4 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl PI-29715 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.369 Cc1cc2ccccc2cc1C PI-25704 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.369 NC1=C(C)N=C2C=CC=CC2=C1 PI-46688 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.369 Nc1cc2ccccc2cc1N PI-25833 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.369 O=c1oc2ccccc2cc1N PI-17434 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.369 Oc1cc2ccccc2cc1O PI-32469 [0,0,0,0,0,0|2,0,1]=3 10 B12R2.24 Brc1ccc2c(c1)ccnc2 PI-17753 [1,0,0,0,0,0|2,0,0]=3 11 B12R2.24 Brc1ccc2ccccc2c1 PI-11812 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.24 C1=CC(=CC2=C1C=CN=C2)O PI-17780 [1,0,0,0,0,0|1,0,1]=3 13 B12R2.24 C1=CC(=NC2=C1C=NC=C2)N PI-48335 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.24 C1=CC2=C(C=CN=C2)C=C1N PI-48190 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)Br PI-16426 [1,0,0,0,0,0|2,0,1]=4 17 B12R2.24 C1=CC=C2C(=C1)C=C(C=N2)O PI-35162 [1,0,0,0,0,0|1,0,1]=3 18 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)Br PI-29304 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N PI-11108 [1,0,0,0,0,0|2,0,1]=4 20 B12R2.24 C1=CC=C2C(=C1)C=CC(=S)N2 PI-29414 [1,0,0,0,0,0|1,1,0]=3 21 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [1,0,0,0,0,0|2,0,0]=3 22 B12R2.24 C1=CC=C2C=C(C=CC2=C1)Cl PI-24669 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [1,0,0,0,0,0|2,0,1]=4 24 B12R2.24 CC1=CC2=CC=CC=C2N=C1 PI-16429 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.24 Cc1ccc2c(n1)cccc2 PI-11867 [1,0,0,0,0,0|2,0,1]=4 26 B12R2.24 Clc1ccc2ccccc2n1 PI-16418 [1,0,0,0,0,0|2,0,1]=4 27 B12R2.24 FC1=CC=C2C=CC=CC2=C1 PI-37208 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.24 Ic1ccc2c(c1)cccc2 PI-18754 [1,0,0,0,0,0|3,0,0]=4 29 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.24 Nc1cnc2ccccc2c1 PI-29717 [1,0,0,0,0,0|2,0,1]=4 31 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [1,0,0,0,0,0|1,0,2]=4 32 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [1,0,0,0,0,0|2,0,1]=4 33 B12R2.24 Oc1ccc2c(c1)cccn2 PI-11465 [1,0,0,0,0,0|3,0,0]=4 34 B12R2.24 Oc1ccc2c(c1)nccc2 PI-12046 [1,0,0,0,0,0|3,0,0]=4 35 B12R2.24 Oc1ccc2c(n1)cccc2 PI-17352 [1,0,0,0,0,0|1,0,2]=4 36 B12R2.24 Oc1ccc2cnccc2c1 PI-34184 [1,0,0,0,0,0|1,0,0]=2 37 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PI-25970 [1,0,0,0,0,0|2,1,0]=4 38 B14R2.1128 C1=CC=C2C(=C1)C=C(C(=O)O2)C#N PI-15401 [0,1,0,0,0,0|3,0,0]=4 39 B14R2.8188 C1=CC=C2C(=C1)C(=C(C(=O)N2)Cl)O PI-32633 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.43 C1=CC=C(C=C1)C=C(C(=O)O)F PI-25464 [0,0,1,0,0,0|3,0,0]=4 41 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)Cl PI-24345 [0,0,1,0,0,0|3,0,0]=4 42 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O PI-25085 [0,0,1,0,0,0|3,0,0]=4 43 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C PI-40378 [0,0,1,0,0,0|3,0,0]=4 44 B12R1.43 CN(C(=O)NC1=CC=CC=C1)O PI-20818 [0,0,1,0,0,0|2,0,1]=4 45 B12R1.43 O=C(C(=O)O)Cc1ccccc1 PI-12929 [0,0,1,0,0,0|3,0,0]=4 46 B12R2.18 Cc1[nH]c2ccccc2c1C PI-11086 [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|1,0,1]=3 48 B12R2.100 Oc1cc2[nH]ccc2cc1O PI-41466 [0,0,0,0,1,0|1,0,2]=4 49 B11R1.40 C1=CC=C(C=C1)C=C(C=O)Br PI-12957 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.40 C=CC(OC1=CC=CC=C1)=O PI-41188 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.91 C1=CC=C(C=C1)C=CC(=O)[O-] PI-12955 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.91 NC(=O)\C=C\c1ccccc1 PI-30792 [1,0,1,0,0,0|1,0,0]=3 53 B11R1.91 OC(=O)\C=C\c1cccnc1 PI-28055 [1,0,1,0,0,0|2,0,0]=4 54 B11R1.91 OC(=O)\C=C\c1ccncc1 PI-31341 [1,0,1,0,0,0|1,0,0]=3 55 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)Br PI-46499 [1,0,1,0,0,0|2,0,0]=4 56 B11R1.17 C1=CC=C(C(=C1)\C=C\C=O)F PI-46537 [1,0,1,0,0,0|2,0,0]=4 57 B11R2.20 C12=CC=CN=C1C=CC=C2 PI-47013 [2,0,0,0,0,0|1,0,1]=4 58 B11R2.20 C1=CC2=C(C=CN=C2)N=C1 PI-13294 [2,0,0,0,0,0|2,0,0]=4 59 B11R2.20 C1=CC=C2C(=C1)C=CC=N2 PI-29663 [2,0,0,0,0,0|1,0,1]=4 60 B11R2.20 c1ccc2c(c1)cnnc2 PI-38024 [2,0,0,0,0,0|2,0,0]=4 61 B13R1.133 C1=CC(=CC=C1N)NC(=O)C(=O)O PI-30042 [0,1,1,0,0,0|2,0,0]=4 62 B13R2.32 C1=CC=C2C(=C1)C(=C(C=N2)O)Cl PI-44804 [1,1,0,0,0,0|1,0,1]=4 63 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-18432 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-25084 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2O)O PI-25690 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.32 C1=CC=C2C(=C1)C=CC(=O)C2=O PI-25638 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.32 Oc1ccc2c(c1Br)cccc2 PI-25688 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.57 COC1=CC2=C(C=C1)C=NC=C2 PI-34185 [1,1,0,0,0,0|1,0,0]=3 69 B13R2.57 O=Cc1ccc2c(c1)cccc2 PI-11868 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.57 O=Cc1ccc2c(n1)cccc2 PI-11880 [1,1,0,0,0,0|1,0,1]=4 71 B13R2.57 OCc1ccc2ccccc2c1 PI-11869 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)Br)O PI-39114 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.155 C1=CC(=CC2=C1C=CC(=C2)O)O PI-32100 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.155 C1=CC(=CC2=C1C=CC(=O)O2)O PI-10445 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.155 C1=CC2=NC=C(C=C2C=C1Br)O PI-45733 [1,1,0,0,0,0|1,0,1]=4 76 B13R2.162 Brc1ccc2c(c1)c(Cl)ncc2 PI-17772 [1,1,0,0,0,0|2,0,0]=4 77 B13R2.162 C1=CC2=C(C(=C1)O)NC(=O)C=C2 PI-28179 [1,1,0,0,0,0|1,0,0]=3 78 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)Br PI-45478 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.162 C1=CC2=C(C=C(C=C2)O)C(=C1)O PI-11684 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.162 CC1=C2C=C(C=CC2=CC=C1)O PI-49019 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.162 OC1=CC=C2C=CC=C(N)C2=C1 PI-25075 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.328 C1=CC=C2C(=C1)C(=CC(=O)N2)[O-] PI-29605 [1,1,0,0,0,0|1,0,0]=3 83 B13R2.328 C1=CC=C2C(=C1)C(=O)C=C(N2)N PI-29594 [1,1,0,0,0,0|2,0,0]=4 84 B13R2.328 O=c1cc(O)c2ccccc2o1 PI-31737 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.328 Oc1cc2ccccc2c(c1)O PI-25115 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.3683 C1=CC2=C(C=CC(=C2)Cl)C=C1O PI-36575 [1,1,0,0,0,0|2,0,0]=4 87 B13R2.3683 C1=CC2=C(C=CC(=O)N2)C=C1Br PI-35473 [1,1,0,0,0,0|1,0,0]=3 88 B13R2.3683 Cc1ccc2c(c1)ccc(=O)o2 PI-36976 [1,1,0,0,0,0|2,0,0]=4 89 B13R2.3683 Oc1ccc2c(c1)ccc(=O)o2 PI-10446 [1,1,0,0,0,0|2,0,0]=4 90 B13R2.3683 Oc1ccc2cc(Br)ccc2c1 PI-12042 [1,1,0,0,0,0|2,0,0]=4 91 B13R2.3683 Oc1ccc2cc(O)ccc2c1 PI-10866 [1,1,0,0,0,0|2,0,0]=4 92 B13R2.5179 BrC1=CC=C2C(=NC=CC2=C1)N PI-39738 [1,1,0,0,0,0|2,0,0]=4 93 B13R2.5179 C1=CC2=C(C=CC(=C2)O)C(=C1)O PI-32101 [1,1,0,0,0,0|2,0,0]=4 94 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)Cl PI-34194 [1,1,0,0,0,0|2,0,0]=4 95 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)N PI-34195 [1,1,0,0,0,0|2,0,0]=4 96 B13R2.5179 Oc1ccc2c(c1)cccc2N PI-18951 [1,1,0,0,0,0|2,0,0]=4 97 B13R2.3028 C1=CC2=C(C=C1Br)C(=O)C(=O)N2 PI-20345 [0,1,0,0,1,0|1,0,1]=4 98 B13R2.3028 C1=CC2=C(C=C1Cl)C(=O)C(=O)N2 PI-11529 [0,1,0,0,1,0|1,0,1]=4 99 B13R2.3028 Cc1ccc2c(c1)C(=O)C(=O)N2 PI-11530 [0,1,0,0,1,0|1,0,1]=4 100 B13R2.3028 Fc1ccc2c(c1)C(=O)C(=O)N2 PI-22671 [0,1,0,0,1,0|1,0,1]=4 101 B13R2.3028 Ic1ccc2c(c1)C(=O)C(=O)N2 PI-18328 [0,1,0,0,1,0|1,0,1]=4 102 B13R2.3085 O=C1c2ccccc2N(C1=O)C PI-30280 [0,1,0,0,1,0|1,0,1]=4 103 B13R2.4825 C1=CC=C(Br)C2=C1C(=O)C(=O)N2 PI-35969 [0,1,0,0,1,0|1,0,1]=4 104 B13R2.4825 C1=CC=C(C2=C1C(C(=O)N2)=O)Cl PI-10411 [0,1,0,0,1,0|1,0,1]=4 105 B13R2.4825 O=C1Nc2c(F)cccc2C1=O PI-28370 [0,1,0,0,1,0|1,0,1]=4 106 B13R2.4825 O=C1Nc2c(I)cccc2C1=O PI-35973 [0,1,0,0,1,0|1,0,1]=4 107 B13R2.4856 C1=CC2=C(C(=C1)Br)C(=O)C(=O)N2 PI-35975 [0,1,0,0,1,0|1,0,1]=4 108 B13R2.4856 FC1=C2C(=CC=C1)NC(C2=O)=O PI-40288 [0,1,0,0,1,0|1,0,1]=4 109 B13R2.4856 O=C1Nc2cccc(I)c2C1=O PI-35976 [0,1,0,0,1,0|1,0,1]=4 110 B13R2.5190 C1=CC2=C(C=C1Br)NC(=O)C2=O PI-44938 [0,1,0,0,1,0|1,0,1]=4 111 B13R2.5190 C1=CC2=C(C=C1F)NC(=O)C2=O PI-40287 [0,1,0,0,1,0|1,0,1]=4 112 B13R2.5190 Clc1ccc2c(c1)NC(=O)C2=O PI-10574 [0,1,0,0,1,0|1,0,1]=4 113 B13R2.5190 Ic1ccc2c(c1)NC(=O)C2=O PI-35977 [0,1,0,0,1,0|1,0,1]=4 114 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)Cl PI-14800 [0,0,1,1,0,0|2,0,0]=4 115 B13R2.435 C1=CC=C2C(=C1)C=C(O2)C(=O)O PI-30651 [0,0,1,1,0,0|2,0,0]=4 116 B13R2.435 C1=CC=C2C(=C1)C=C(S2)C(=O)N PI-26819 [0,0,1,1,0,0|1,1,0]=4 117 B13R2.435 CC(=O)c1cc2c(o1)cccc2 PI-29182 [0,0,1,1,0,0|2,0,0]=4 118 B11R1.36 O=C(C(=O)O)c1ccccc1 PI-30769 [0,0,1,0,1,0|2,0,0]=4 119 B11R2.1 BrC1=NNC2=C1C=CN=C2 PI-46689 [1,0,0,0,1,0|2,0,0]=4 120 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [1,0,0,0,1,0|2,0,0]=4 121 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [1,0,0,0,1,0|2,0,0]=4 122 B11R2.1 C1=CC=C2C(=C1)C=CS2=O PI-14312 [1,0,0,0,1,0|2,0,0]=4 123 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [1,0,0,0,1,0|2,0,0]=4 124 B11R2.1 ClC1=CNC2=C1C=NC=C2 PI-36987 [1,0,0,0,1,0|2,0,0]=4 125 B11R2.1 NC1=CNC2=C1C=NC=C2 PI-36984 [1,0,0,0,1,0|2,0,0]=4 126 B11R2.10 C1=CN=CC2=C1NC(=O)N2 PI-47254 [1,0,0,0,1,0|1,0,0]=3 127 B11R2.10 CC1=CC2=CC=CC=C2N1 PI-31662 [1,0,0,0,1,0|2,0,0]=4 128 B11R2.10 O=C1Cc2c(N1)cccc2 PI-11084 [1,0,0,0,1,0|1,0,1]=4 129 B11R2.10 O=c1oc2ccccc2[nH]1 PI-11480 [1,0,0,0,1,0|2,0,0]=4 130 B11R2.10 O=c1sc2ccccc2[nH]1 PI-12052 [1,0,0,0,1,0|2,0,0]=4 131 B11R2.10 Oc1nc2ccccc2[nH]1 PI-16421 [1,0,0,0,1,0|2,0,0]=4 132 B11R2.36 C1=CC2=C(C=C1O)C=NN2 PI-44936 [1,0,0,0,1,0|2,0,0]=4 133 B11R2.36 C1=CC2=C(C=C1O)NN=C2 PI-45210 [1,0,0,0,1,0|2,0,0]=4 134 B11R2.36 C1=CN2C(=CC=N2)NC1=O PI-50032 [1,0,0,0,1,0|2,0,0]=4 135 B11R2.36 OC1=CC2=C(NC=C2)N=C1 PI-42397 [1,0,0,0,1,0|0,0,2]=4 136 B11R2.36 Oc1ccc2[nH]ccc2c1 PI-10314 [1,0,0,0,1,0|1,0,1]=4 137 B11R2.36 Oc1ccc2cc[nH]c2c1 PI-16028 [1,0,0,0,1,0|2,0,0]=4 138 B11R2.36 Oc1ccc2nc[nH]c2c1 PI-36411 [1,0,0,0,1,0|2,0,0]=4 139 B13R1.348 CC(=CC1=CC=CC=C1)CC(=O)N PI-17442 [0,0,1,0,0,1|2,0,0]=4