0 B13R2.57 COC1=CC2=CC=CN=C2C=C1 PHBB_NC-03014 [0,0,0,0,0,0|1,0,0]=1 1 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 PHBB_NC-01714 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.57 O=CC1=NC2=CC=CC=C2C=C1 PHBB_NC-01728 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.57 O=CC1=NC2=CC=CC=C2N=C1 PHBB_SC-01020 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 PHBB_SC-04022 [1,0,0,0,0,0|2,0,0]=3 5 B12R2.24 NC1=CC2=CC=CC=C2C=C1 PHBB_SC-04782 [1,0,0,0,0,0|1,0,0]=2 6 B12R2.24 NC1=CC2=CC=CC=C2N=C1 PHBB_SC-12182 [1,0,0,0,0,0|2,0,0]=3 7 B12R2.24 NC1=CC2=NC=CN=C2C=C1 PHBB_SC-00580 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 PHBB_NC-00341 [1,0,0,0,0,0|1,0,1]=3 9 B12R2.24 SC1=CC=C2C=CC=CC2=C1 PHBB_SC-04789 [1,0,0,0,0,0|0,1,0]=2 10 B12R2.24 SC1=CC=C2C=CC=CC2=N1 PHBB_SC-07915 [1,0,0,0,0,0|1,1,0]=3 11 B14R2.112 NCCC1=CC=C2C=CC=CC2=C1 PHBB_SC-10055 [0,1,0,0,0,0|1,0,0]=2 12 B14R2.142 O=CC1=NC2=C(Cl)C=CC=C2C=C1 PHBB_SC-01227 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 PHBB_SC-04773 [0,1,0,0,0,0|1,0,0]=2 14 B14R2.781 CN(C)C1=CC2=CC=CN=C2C=C1 PHBB_SC-06726 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.781 O=C(O)C1=CC=C2C=CC=CC2=N1 PHBB_SC-02962 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 PHBB_NC-01697 [0,1,0,0,0,0|3,0,0]=4 17 B14R2.1019 CC1=CC(NN)=NC2=CC=CC=C12 PHBB_SC-09788 [0,1,0,0,0,0|3,0,0]=4 18 B14R2.1128 O=CC1=CC2=C(C=CC=C2)N=C1Cl PHBB_SC-01837 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.1128 O=CC1=CC2=CC=CC=C2N=C1I PHBB_SC-10745 [0,1,0,0,0,0|3,0,0]=4 20 B14R2.1128 O=CC1=CC2=CC=CC=C2NC1=O PHBB_SC-10741 [0,1,0,0,0,0|3,0,0]=4 21 B14R2.1801 COC1=CC2=C(C=C1)C(=O)CCC2 PHBB_NC-02283 [0,1,0,0,0,0|0,0,3]=4 22 B14R2.1801 COC1=CC=C2C(N)=CC=NC2=C1 PHBB_SC-10119 [0,1,0,0,0,0|1,0,0]=2 23 B14R2.2332 COC1=CC2=CC=C(C)N=C2C=C1 PHBB_SC-00230 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.27 COC(=O)CNC1=CC=CC=C1 PHBB_SC-11456 [0,0,1,0,0,0|2,0,1]=4 25 B12R2.1 C(=O)C1=CNC2=C1C=CC=C2 PHBB_NC-00307 [0,0,0,0,1,0|3,0,0]=4 26 B12R2.1 N#CC1=CNC2=CC=CC=C12 PHBB_SC-03279 [0,0,0,0,1,0|3,0,0]=4 27 B12R2.44 COC1=CC2=C(C=C1)NC=C2 PHBB_NC-01727 [0,0,0,0,1,0|1,0,0]=2 28 B12R2.44 N#CC1=CC2=C(C=C1)NC=C2 PHBB_SC-01109 [0,0,0,0,1,0|3,0,0]=4 29 B12R2.44 O=CC1=CC=C2C=CNC2=C1 PHBB_SC-07673 [0,0,0,0,1,0|3,0,0]=4 30 B12R2.44 O=CC1=CC=C2NC=CC2=C1 PHBB_SC-03488 [0,0,0,0,1,0|3,0,0]=4 31 B12R2.44 OCC1=CC=C2C=CNC2=C1 PHBB_NC-03060 [0,0,0,0,1,0|3,0,0]=4 32 B12R2.44 OCC1=CC=C2NC=CC2=C1 PHBB_NC-03059 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 PHBB_SC-04874 [1,0,1,0,0,0|1,0,1]=4 34 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 PHBB_SC-12089 [1,0,1,0,0,0|1,0,0]=3 35 B11R1.83 C\C=C\C1=CC=C(OC)C=C1 PHBB_NC-00137 [1,0,1,0,0,0|0,0,1]=3 36 B11R1.280 COC1=CC(C=O)=C(O)C=C1 PHBB_SC-09589 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.40 COC(=O)CC1=CC=CC=C1 PHBB_SC-08463 [1,0,1,0,0,0|1,0,1]=4 38 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 PHBB_NC-02003 [1,0,1,0,0,0|1,0,0]=3 39 B11R2.20 C1=CC2=C(C=C1)N=CC=C2 PHBB_SC-04864 [2,0,0,0,0,0|1,0,0]=3 40 B11R2.20 C1=CC2=CC=NC=C2C=C1 PHBB_SC-04761 [2,0,0,0,0,0|1,0,0]=3 41 B11R2.20 C1=CC=C2N=CC=NC2=C1 PHBB_SC-05048 [2,0,0,0,0,0|2,0,0]=4 42 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 PHBB_NC-01996 [0,1,1,0,0,0|1,0,0]=3 43 B13R1.643 COC1=CC=CC(\C=C\C(=O)O)=C1 PHBB_NC-03025 [0,1,1,0,0,0|1,0,0]=3 44 B13R2.32 NC1=C(N)C2=CC=CN=C2C=C1 PHBB_SC-00387 [1,1,0,0,0,0|2,0,0]=4 45 B13R2.32 NC1=C2C=CC=CC2=CC=C1O PHBB_SC-00955 [1,1,0,0,0,0|0,0,0]=2 46 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O PHBB_SC-06813 [1,1,0,0,0,0|0,0,1]=3 47 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)O1 PHBB_NC-03231 [1,1,0,0,0,0|1,0,0]=3 48 B13R2.162 CC1=CC=C2C=CC=C(N)C2=N1 PHBB_SC-07886 [1,1,0,0,0,0|1,0,0]=3 49 B13R2.162 CC1=CC=C2C=CC=C(O)C2=N1 PHBB_SC-04783 [1,1,0,0,0,0|1,0,0]=3 50 B13R2.162 ClC1=CC=C2N=CC=C(Cl)C2=C1 PHBB_SC-08098 [1,1,0,0,0,0|2,0,0]=4 51 B13R2.162 FC1=CC=C2N=CC=C(Cl)C2=C1 PHBB_SC-08100 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.162 NC1=CC=C2OC=CC(=O)C2=C1 PHBB_NC-02130 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.162 NC1=CC=NC2=CC=C(Cl)C=C12 PHBB_SC-08055 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.162 NC1=CC=NC2=CC=C(F)C=C12 PHBB_SC-09732 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.162 OC1=CC2=C(C=CC=C2O)C=C1 PHBB_SC-04867 [1,1,0,0,0,0|0,0,0]=2 56 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 PHBB_SC-00930 [1,1,0,0,0,0|2,0,0]=4 57 B13R2.328 CC1=CC(O)=C2C=CC=CC2=N1 PHBB_SC-04683 [1,1,0,0,0,0|1,0,0]=3 58 B13R2.328 CC1=CC(O)=NC2=CC=CC=C12 PHBB_SC-00471 [1,1,0,0,0,0|1,0,0]=3 59 B13R2.328 CC1=NC2=C(C=CC=C2)C(S)=C1 PHBB_SC-06707 [1,1,0,0,0,0|1,0,0]=3 60 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 PHBB_NC-00277 [1,1,0,0,0,0|1,0,1]=4 61 B13R2.328 O=C1C=C(O)N=C2C=CC=CN12 PHBB_SC-10309 [1,1,0,0,0,0|2,0,0]=4 62 B13R2.369 CC1=NC2=CC=CC=C2N=C1Cl PHBB_SC-01658 [1,1,0,0,0,0|2,0,0]=4 63 B13R2.369 OC1=NC2=C(C=CC=C2)N=C1O PHBB_SC-00701 [1,1,0,0,0,0|2,0,0]=4 64 B13R2.3683 CC1=NC2=CC=C(N)C=C2C=C1 PHBB_SC-06306 [1,1,0,0,0,0|1,0,0]=3 65 B13R2.3683 NC1=CC2=C(C=C1)OC(=O)C=C2 PHBB_NC-01736 [1,1,0,0,0,0|1,0,1]=4 66 B13R2.5179 NC1=CC=NC2=CC(Cl)=CC=C12 PHBB_SC-09655 [1,1,0,0,0,0|2,0,0]=4 67 B13R2.1 NCCC1=CNC2=CC=CC=C12 PHBB_NC-02656 [0,1,0,0,1,0|2,0,0]=4 68 B13R2.1 NCCC1=CNC2=CC=CC=C12 PHBB_NC-03568 [0,1,0,0,1,0|2,0,0]=4 69 B13R2.1 NCCN1C=CC2=C1C=CC=C2 PHBB_SC-06571 [0,1,0,0,1,0|2,0,0]=4 70 B13R2.1 OCCC1=CNC2=C1C=CC=C2 PHBB_NC-02663 [0,1,0,0,1,0|2,0,0]=4 71 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 PHBB_SC-11295 [0,1,0,0,1,0|2,0,0]=4 72 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)O1 PHBB_SC-12187 [0,1,0,0,1,0|2,0,0]=4 73 B13R2.435 CC(=O)C1=CC2=CC=CC=C2N1 PHBB_NC-03173 [0,1,0,0,1,0|2,0,0]=4 74 B13R2.449 CNCC1=CC=C2NC=CC2=C1 PHBB_SC-12042 [0,1,0,0,1,0|2,0,0]=4 75 B13R2.2121 COC1=CC=C2NC(=S)NC2=C1 PHBB_SC-01133 [0,1,0,0,1,0|2,0,0]=4 76 B15R2.627 CC(=O)C1=C(O)C2=C(C=CC=C2)C=C1 PHBB_SC-05193 [0,2,0,0,0,0|1,0,0]=3 77 B15R2.627 O=C(O)C1=CC=C2C=CC=CC2=C1O PHBB_SC-08461 [0,2,0,0,0,0|2,0,0]=4 78 B15R2.2115 COC1=C(CN)C2=CC=CC=C2C=C1 PHBB_SC-04207 [0,2,0,0,0,0|0,0,0]=2 79 B15R2.352 NCCOC1=CC2=CC=CC=C2C=C1 PHBB_SC-11563 [0,2,0,0,0,0|0,0,0]=2 80 B15R2.1601 COC(=O)C1=NC=C2C=CC=CC2=C1 PHBB_SC-12115 [0,2,0,0,0,0|1,0,0]=3 81 B15R2.1601 O=C(CBr)C1=CC=C2C=CC=CC2=C1 PHBB_SC-07960 [0,2,0,0,0,0|1,0,0]=3 82 B15R2.21336 COC1=CC2=CC(C)=C(Cl)N=C2C=C1 PHBB_SC-07043 [0,2,0,0,0,0|1,0,0]=3 83 B15R2.4846 COC1=CC=C2N=CC=C(NN)C2=C1 PHBB_SC-06557 [0,2,0,0,0,0|1,0,0]=3 84 B15R2.21329 COC1=CC2=C(C=C1)N=C(C)C=C2S PHBB_SC-06705 [0,2,0,0,0,0|1,0,0]=3 85 B15R2.21329 COC1=CC=C2N=C(S)C=C(C)C2=C1 PHBB_SC-00639 [0,2,0,0,0,0|1,0,0]=3 86 B15R2.22397 COC1=CC=C2C(=C1)C(=O)C=CN2C PHBB_NC-03353 [0,2,0,0,0,0|1,0,0]=3 87 B15R2.984 CC(=O)C1=CC2=CC=CC=C2OC1=O PHBB_SC-03574 [0,2,0,0,0,0|2,0,0]=4 88 B15R2.984 O=C(O)C1=C(O)C=C2C=CC=CC2=C1 PHBB_SC-05152 [0,2,0,0,0,0|2,0,0]=4 89 B15R2.4441 O=S(=O)(Cl)C1=CC2=CC=CC=C2C=C1 PHBB_SC-08432 [0,2,0,0,0,0|1,1,0]=4 90 B15R2.4780 COC1=CC=C2N=C(C=O)C=CC2=C1 PHBB_NC-01096 [0,2,0,0,0,0|1,0,0]=3 91 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 PHBB_SC-10962 [0,0,1,1,0,0|2,0,0]=4 92 B11R1.222 COC(=O)C1=CC=CC=C1N PHBB_SC-01895 [0,0,1,0,1,0|2,0,0]=4 93 B11R1.222 COC(=O)C1=CC=CC=C1O PHBB_SC-05156 [0,0,1,0,1,0|2,0,0]=4 94 B11R2.10 CC1=NC2=C(C=CC=C2)N1 PHBB_SC-04961 [1,0,0,0,1,0|2,0,0]=4 95 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 PHBB_SC-03283 [1,0,0,0,1,0|2,0,0]=4 96 B11R2.36 BrC1=CC=C2C=CNC2=C1 PHBB_SC-01421 [1,0,0,0,1,0|2,0,0]=4 97 B11R2.36 CC1=CC2=C(C=C1)NC=C2 PHBB_SC-01108 [1,0,0,0,1,0|1,0,0]=3 98 B11R2.36 ClC1=CC=C2C=CNC2=C1 PHBB_SC-03792 [1,0,0,0,1,0|2,0,0]=4 99 B11R2.36 ClC1=CC=C2NC=CC2=C1 PHBB_SC-11752 [1,0,0,0,1,0|2,0,0]=4 100 B11R2.36 FC1=CC=C2C=CNC2=C1 PHBB_SC-01432 [1,0,0,0,1,0|2,0,0]=4 101 B11R2.36 NC1=CC=C2C=CNC2=C1 PHBB_SC-12189 [1,0,0,0,1,0|2,0,0]=4 102 B11R2.36 OC1=CC2=C(C=C1)NC=C2 PHBB_SC-11754 [1,0,0,0,1,0|1,0,0]=3