0 B13R2.1613 BrCc1cccc2c1cccc2 PI-11690 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.1613 BrCc1nccc2c1cccc2 PI-17065 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.1613 C1=CC=C2C(=C1)C=CC=C2NN PI-14576 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.1613 C1=CC=C2C(=C1)C=CN=C2CO PI-17163 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.1613 CCC1=C2C=CC=CC2=CC=C1 PI-25055 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.1613 CNC1=CC=CC2=CC=CC=C21 PI-11705 [0,0,0,0,0,0|3,0,0]=3 6 B13R2.1613 COc1cccc2c1cccc2 PI-25358 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.1613 ClCc1cccc2ccccc12 PI-31356 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.1613 N#CC1=C2C=CC=CC2=CN=C1 PI-46807 [0,0,0,0,0,0|2,0,1]=3 9 B13R2.1613 N#CC1=NC=CC2=C1C=CC=C2 PI-20304 [0,0,0,0,0,0|2,0,1]=3 10 B13R2.1613 N#Cc1cccc2c1cccc2 PI-32010 [0,0,0,0,0,0|3,0,1]=4 11 B13R2.1613 NCc1cccc2c1cccc2 PI-25073 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.1613 O=Cc1cccc2c1cccc2 PI-32008 [0,0,0,0,0,0|4,0,0]=4 13 B12R2.1081 Brc1cccc2ccccc12 PI-34202 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.1081 C1=CC2=C(C(=NC=C2)N)N=C1 PI-14582 [1,0,0,0,0,0|2,0,0]=3 15 B12R2.1081 C1=CC=C2C(=C1)C=CC=C2S PI-18636 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Br PI-16539 [1,0,0,0,0,0|2,0,0]=3 17 B12R2.1081 C1=CC=C2C(=C1)C=CN=C2Cl PI-29294 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2Br PI-11110 [1,0,0,0,0,0|2,0,0]=3 19 B12R2.1081 C1=CC=C2C(=C1)C=NC=C2F PI-42940 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 PI-11697 [1,0,0,0,0,0|2,0,1]=4 21 B12R2.1081 Cc1nccc2ccccc12 PI-29203 [1,0,0,0,0,0|2,0,0]=3 22 B12R2.1081 Clc1cccc2ccccc12 PI-32014 [1,0,0,0,0,0|3,0,0]=4 23 B12R2.1081 Fc1cccc2ccccc12 PI-28374 [1,0,0,0,0,0|3,0,0]=4 24 B12R2.1081 IC1=CC=CC2=C1C=CC=C2 PI-10978 [1,0,0,0,0,0|3,0,0]=4 25 B12R2.1081 NC1=C2C=CC=NC2=CC=C1 PI-28683 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.1081 NC1=CC=CC2=C1C=CN=C2 PI-16512 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.1081 Nc1cccc2c1nccc2 PI-31237 [1,0,0,0,0,0|3,0,0]=4 28 B12R2.1081 Nc1cncc2ccccc12 PI-29375 [1,0,0,0,0,0|1,0,0]=2 29 B12R2.1081 Nc1nccc2c1cccc2 PI-17133 [1,0,0,0,0,0|1,0,0]=2 30 B12R2.1081 O=C1NN=NC2=CC=CC=C12 PI-40803 [1,0,0,0,0,0|2,0,1]=4 31 B14R2.1073 C1=CC2=C(C=CN=C2C=C1Cl)NN PI-29380 [0,1,0,0,0,0|3,0,0]=4 32 B14R2.1131 COC1=C2C=CC=CC2=C(Br)C=N1 PI-46702 [0,1,0,0,0,0|3,0,0]=4 33 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 PI-12669 [0,1,0,0,0,0|3,0,0]=4 34 B14R2.7150 CNCC1=CC=CC2=CC=CC=C21 PI-16005 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.31359 C1=CC=C2C(=C1)C=CC=C2C(=O)N PI-14568 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.31359 C1=CC=C2C(=C1)C=NC=C2C(=O)O PI-50021 [0,1,0,0,0,0|3,0,0]=4 37 B14R2.31359 C1=CC=C2C(=C1)C=NC=C2[N+](=O)[O-] PI-13197 [0,1,0,0,0,0|2,0,1]=4 38 B14R2.31359 CC(C1=CC=CC2=CC=CC=C21)N PI-25560 [0,1,0,0,0,0|3,0,0]=4 39 B14R2.31359 CN(C)C1=C2C=CC=CC2=CC=C1 PI-13031 [0,1,0,0,0,0|3,0,0]=4 40 B14R2.31359 C[C@@H](N)c1cccc2ccccc12 PI-18515 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.31359 C[C@@H](c1cccc2c1cccc2)N PI-18066 [0,1,0,0,0,0|3,0,0]=4 42 B14R2.31359 OB(c1cncc2c1cccc2)O PI-25290 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.31359 OC(=O)c1nccc2c1cccc2 PI-20315 [0,1,0,0,0,0|3,0,0]=4 44 B12R1.77 C1=CC=C(C(=C1)C#N)C(=O)NN PI-50324 [0,0,1,0,0,0|1,0,2]=4 45 B12R1.77 COC1=CC=CC=C1C(=O)NN PI-29896 [0,0,1,0,0,0|3,0,0]=4 46 B12R2.1 BrCC1=NOC2=CC=CC=C12 PI-42779 [0,0,0,0,1,0|3,0,0]=4 47 B12R2.1 C1=CC=C2C(=C1)C(=CS2)CN PI-35078 [0,0,0,0,1,0|3,0,0]=4 48 B12R2.1 C1=CC=C2C(=C1)C(=NO2)CO PI-48272 [0,0,0,0,1,0|3,0,0]=4 49 B12R2.1 C1=CC=C2C(=C1)N=NN2C=O PI-47021 [0,0,0,0,1,0|3,0,0]=4 50 B12R2.1 C1=CC=C2C(=C1)N=NN2CCl PI-47020 [0,0,0,0,1,0|3,0,0]=4 51 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)Br PI-50495 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F PI-23454 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)N PI-30252 [1,0,1,0,0,0|1,0,1]=4 54 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)O PI-29980 [1,0,1,0,0,0|2,0,0]=4 55 B11R1.222 CC1=CC=CC=C1C(=O)NN PI-24611 [1,0,1,0,0,0|1,0,1]=4 56 B11R2.20 C1=CC2=C(C=CN=C2)N=C1 PI-13294 [2,0,0,0,0,0|2,0,0]=4 57 B11R2.20 C1CN=CC2=CC=CC=C21 PI-17411 [2,0,0,0,0,0|1,0,1]=4 58 B11R2.20 c1ccc2c(c1)cnnc2 PI-38024 [2,0,0,0,0,0|0,0,0]=2 59 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-18432 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.32 C1=CC=C2C(=C1)C=CC(=C2N)O PI-25084 [1,1,0,0,0,0|2,0,0]=4 61 B13R2.32 C1=CC=C2C(=C1)C=NC(=C2O)Cl PI-44810 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.32 C1=CC=C2C(=C1)C=NC(=C2O)Cl PI-44835 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.32 Cc1ccc2ccccc2c1N PI-18358 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.162 Brc1ccc2c(c1)c(Cl)ncc2 PI-17772 [1,1,0,0,0,0|2,0,0]=4 65 B13R2.162 OC1=CC=C2C=CC=C(N)C2=C1 PI-25075 [1,1,0,0,0,0|2,0,0]=4 66 B13R2.328 Clc1cc2ccccc2c(n1)Cl PI-31690 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.328 Nc1cc2ccccc2c(Br)n1 PI-29111 [1,1,0,0,0,0|2,0,0]=4 68 B13R2.342 C1=CC2=C(C=CC=C2Cl)C(=C1)N PI-33956 [1,1,0,0,0,0|2,0,0]=4 69 B13R2.342 Nc1cccc2c(N)cccc12 PI-25366 [1,1,0,0,0,0|2,0,0]=4 70 B13R2.342 Nc1cccc2c1cccc2O PI-33025 [1,1,0,0,0,0|2,0,0]=4 71 B13R2.342 Oc1cccc2c1ccnc2O PI-40239 [1,1,0,0,0,0|2,0,0]=4 72 B13R2.371 BrC1=C2C=CC=CC2=C(Br)N=C1 PI-46816 [1,1,0,0,0,0|2,0,0]=4 73 B13R2.371 Brc1ccc(N)c2ccccc12 PI-14332 [1,1,0,0,0,0|2,0,0]=4 74 B13R2.371 C1=CC=C2C(=C1)C(=CN=C2Cl)Cl PI-44410 [1,1,0,0,0,0|2,0,0]=4 75 B13R2.371 Clc1ncc(c2c1cccc2)Br PI-29841 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.371 Clc1nnc(c2c1cccc2)Cl PI-35727 [1,1,0,0,0,0|1,0,0]=3 77 B13R2.371 Oc1ccc(c2c1cccc2)N PI-25713 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.4818 C1=CC2=C(C(=C1)F)C(=NC=N2)N PI-14093 [1,1,0,0,0,0|2,0,0]=4 79 B13R2.4818 NC1=C2C(Br)=CC=CC2=CC=C1 PI-39961 [1,1,0,0,0,0|2,0,0]=4 80 B13R2.5179 BrC1=CC=C2C(=NC=CC2=C1)N PI-39738 [1,1,0,0,0,0|1,0,0]=3 81 B13R2.5179 Brc1ccc2c(c1)cn[nH]c2=O PI-36953 [1,1,0,0,0,0|1,0,1]=4 82 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)Cl PI-34194 [1,1,0,0,0,0|2,0,0]=4 83 B13R2.5179 CC1=CC2=C(C=C1)C(=NC=C2)N PI-34195 [1,1,0,0,0,0|1,0,0]=3 84 B13R2.5179 NC1=C2C=CC(Br)=CC2=NC=N1 PI-46815 [1,1,0,0,0,0|2,0,0]=4 85 B13R2.5179 Oc1ccc2c(c1)cccc2N PI-18951 [1,1,0,0,0,0|2,0,0]=4 86 B13R2.1 C1=CC=C2C(=C1)N=NN2CCN PI-44084 [0,1,0,0,1,0|2,0,0]=4 87 B13R2.72 C1=CC=C2C(=C1)N=NN2C(=N)N PI-43541 [0,1,0,0,1,0|2,0,0]=4 88 B15R2.79765 C1=CC=C2C(=C1)C=CC=C2C(=O)NN PI-14569 [0,2,0,0,0,0|2,0,0]=4 89 B13R2.3085 NN1C(=O)c2c(C1=O)cccc2 PI-30246 [0,0,1,1,0,0|2,0,0]=4 90 B13R2.18 Brc1ccccc1c2nnn[nH]2 PI-12019 [0,0,1,1,0,0|1,0,1]=4 91 B13R2.18 C1=CC=C(C(=C1)C2=NNN=N2)I PI-32966 [0,0,1,1,0,0|1,0,1]=4 92 B13R2.18 Clc1ccccc1c2nnn[nH]2 PI-32964 [0,0,1,1,0,0|1,0,1]=4 93 B11R2.1 C1=CC2=C(NN=C2C=C1)Br PI-34805 [1,0,0,0,1,0|1,0,1]=4 94 B11R2.1 C1=CC2=NN=C(N2C=C1)Br PI-44880 [1,0,0,0,1,0|2,0,0]=4 95 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [1,0,0,0,1,0|1,0,0]=3 96 B11R2.1 C1=CC=C2C(=C1)C(=NS2)Cl PI-12200 [1,0,0,0,1,0|2,0,0]=4 97 B11R2.1 C1=CC=C2C(=C1)C=NN2N PI-44096 [1,0,0,0,1,0|1,0,0]=3 98 B11R2.1 CN1C2=CC=CC=C2N=N1 PI-17166 [1,0,0,0,1,0|2,0,0]=4 99 B11R2.1 ClC1=NN=C2C=CC=CN21 PI-46802 [1,0,0,0,1,0|2,0,0]=4 100 B11R2.1 ClC1=NOC2=C1C=CC=C2 PI-15670 [1,0,0,0,1,0|2,0,0]=4 101 B11R2.1 NC1=NSC2=NC=CC=C21 PI-46733 [1,0,0,0,1,0|2,0,0]=4 102 B11R2.1 On1nnc2ccccc12 PI-15275 [1,0,0,0,1,0|2,0,0]=4 103 B11R2.1 On1nnc2ccccc12 PI-15359 [1,0,0,0,1,0|2,0,0]=4