0 B12R1.252 O=C(O)CSCC1=CC=CC=C1 PHBB_SC-04791 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.252 O=C([O-])\C=C\SC1=CC=CC=C1 PHBB_SC-00182 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.28 CCCCCC1=CC=CC=N1 PHBB_NC-00788 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 CNCCOC1=CC=CC=C1 PHBB_SC-05505 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.28 S=C=NCCC1=CC=CC=C1 PHBB_NC-03318 [1,0,0,0,0,0|1,1,1]=4 5 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 PHBB_NC-00440 [0,1,0,0,0,0|2,0,1]=4 6 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 PHBB_SC-04011 [0,1,0,0,0,0|2,0,1]=4 7 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 PHBB_SC-05738 [0,1,0,0,0,0|3,0,0]=4 8 B13R1.513 O=C(O)CNCC1=CC=C(Cl)C=C1 PHBB_SC-09324 [0,1,0,0,0,0|3,0,0]=4 9 B13R1.718 COC(=O)CCNC1=CC=CC=C1 PHBB_SC-01083 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 PHBB_SC-06050 [0,1,0,0,0,0|1,0,0]=2 11 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 PHBB_SC-08542 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.72 CC(=O)C1=CNC2=CC=CC=C21 PHBB_SC-11295 [0,0,0,1,0,0|2,0,1]=4 13 B11R1.91 CC(=O)CCC1=CC=CC=C1 PHBB_SC-04990 [0,0,0,0,1,0|0,0,0]=1 14 B11R1.91 CC(N)CCC1=CC=CC=C1 PHBB_NC-02029 [0,0,0,0,1,0|1,0,1]=3 15 B11R1.91 NC(=O)NCC1=CC=CC=C1 PHBB_SC-04678 [0,0,0,0,1,0|2,0,0]=3 16 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 PHBB_SC-05183 [0,0,0,0,1,0|1,0,0]=2 17 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 PHBB_SC-04874 [0,0,0,0,1,0|1,0,2]=4 18 B11R1.91 O=C(O)C#CC1=CC=CC=C1 PHBB_SC-04745 [0,0,0,0,1,0|1,0,2]=4 19 B11R1.91 O=C(O)CCC1=CC=CC=C1 PHBB_NC-02947 [0,0,0,0,1,0|1,0,0]=2 20 B11R1.91 O=C(O)CNC1=CC=CC=C1 PHBB_NC-02179 [0,0,0,0,1,0|2,0,0]=3 21 B11R1.91 O=C(O)COC1=CC=CC=C1 PHBB_SC-04460 [0,0,0,0,1,0|2,0,0]=3 22 B11R1.91 O=C(O)COC1=CC=CN=C1 PHBB_SC-04343 [0,0,0,0,1,0|3,0,0]=4 23 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 PHBB_SC-12089 [0,0,0,0,1,0|1,0,2]=4 24 B11R1.172 O=C(O)CCCN1C=CC=C1 PHBB_SC-11882 [0,0,0,0,1,0|3,0,0]=4 25 B13R1.337 CN(C)CCNCC1=CC=CC=C1 PHBB_SC-07955 [0,0,0,0,0,1|3,0,0]=4 26 B10R1.17 BrCCCC1=CC=CC=C1 PHBB_SC-08397 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.17 CCCNC1=CC=CC=C1 PHBB_SC-00131 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.17 CCNCC1=CC=CC=C1 PHBB_SC-05041 [2,0,0,0,0,0|1,0,1]=4 29 B10R1.17 CNCCC1=NC=CC=C1 PHBB_SC-02540 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.17 NCCCC1=CC=CC=C1 PHBB_NC-02946 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.8 CC#CCNCC1=CC=CC=C1 PHBB_SC-04273 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.8 CCCCNCC1=CC=CC=C1 PHBB_SC-05090 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 PHBB_NC-00157 [0,1,0,0,1,0|0,0,0]=2 34 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 PHBB_SC-05284 [0,1,0,0,1,0|2,0,0]=4 35 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 PHBB_NC-03346 [0,1,0,0,1,0|1,0,0]=3 36 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 PHBB_SC-06933 [0,1,0,0,1,0|2,0,0]=4 37 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 PHBB_NC-00016 [0,1,0,0,1,0|1,0,0]=3 38 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 PHBB_NC-03501 [0,1,0,0,1,0|2,0,0]=4 39 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl PHBB_SC-08421 [0,1,0,0,1,0|2,0,0]=4 40 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 PHBB_NC-02068 [0,1,0,0,1,0|1,0,0]=3 41 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O PHBB_NC-03785 [0,1,0,0,1,0|2,0,0]=4 42 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O PHBB_NC-03825 [0,1,0,0,1,0|2,0,0]=4 43 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 PHBB_SC-01239 [0,1,0,0,1,0|0,0,1]=3 44 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 PHBB_NC-02252 [0,1,0,0,1,0|1,0,0]=3 45 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 PHBB_NC-01892 [0,1,0,0,1,0|1,0,0]=3 46 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 PHBB_SC-06228 [0,1,0,0,1,0|1,0,0]=3 47 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 PHBB_SC-08515 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 PHBB_SC-05592 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 PHBB_SC-11189 [0,1,0,0,1,0|1,0,0]=3 50 B12R1.226 NC1=CC=CC(OCC(=O)O)=C1 PHBB_SC-05364 [0,1,0,0,1,0|2,0,0]=4 51 B14R1.423 CN(CCC(=O)O)CC1=CC=CC=C1 PHBB_SC-05739 [0,1,0,0,0,1|2,0,0]=4 52 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 PHBB_SC-08425 [0,1,0,0,0,1|1,0,1]=4 53 B14R1.6449 [C@H](N)(CSCC1=CC=CC=C1)C(=O)O PHBB_NC-00765 [0,1,0,0,0,1|2,0,0]=4 54 B14R1.1025 COC(=O)CCNC1=CC=CC(Cl)=C1 PHBB_SC-06415 [0,2,0,0,0,0|2,0,0]=4 55 B14R1.13 COC(=O)CCNC1=CC=C(F)C=C1 PHBB_SC-06416 [0,2,0,0,0,0|2,0,0]=4 56 B14R1.520 CNCC(=O)NCCC1=CC=CC=C1 PHBB_SC-05844 [0,2,0,0,0,0|1,0,0]=3 57 B14R1.520 NCCC(=O)NCCC1=CC=CC=C1 PHBB_SC-06016 [0,2,0,0,0,0|1,0,0]=3 58 B12R2.1081 O=C1CCCC2=C1C=CC=C2 PHBB_SC-00363 [1,0,0,1,0,0|1,0,0]=3 59 B12R2.1081 O=C1CCOC2=C1C=CC=C2 PHBB_NC-02285 [1,0,0,1,0,0|2,0,0]=4 60 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 PHBB_NC-00687 [0,0,0,1,1,0|1,0,0]=3 61 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 PHBB_SC-11805 [0,0,0,1,1,0|2,0,0]=4 62 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 PHBB_SC-04044 [0,1,0,1,0,0|1,0,0]=3 63 B14R2.25733 CC(=O)N1CC(=O)C2=CC=CC=C21 PHBB_NC-01935 [0,1,0,1,0,0|1,0,1]=4 64 B14R2.781 CC(=O)C1COC2=CC=CC=C2O1 PHBB_SC-06640 [0,1,0,1,0,0|2,0,0]=4 65 B14R2.781 NC(=O)C1CCC2=CC=CC=C2N1 PHBB_SC-05355 [0,1,0,1,0,0|2,0,0]=4 66 B14R2.741 NC1CCC2=CC=CC=C2NC1=O PHBB_SC-06068 [0,1,0,1,0,0|2,0,0]=4 67 B14R2.741 O=C1NC2=C(C=CC=C2)CCC1Br PHBB_SC-02179 [0,1,0,1,0,0|2,0,0]=4 68 B14R2.95 NCC(=O)N1CCC2=CC=CC=C21 PHBB_SC-05597 [0,1,0,1,0,0|1,0,0]=3 69 B14R2.958 NNC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 PHBB_SC-06630 [0,1,0,1,0,0|2,0,0]=4 70 B14R2.958 NNC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 PHBB_SC-00239 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.18 CC(=O)NC1=CN=CC=C1 PHBB_SC-09615 [0,0,0,0,2,0|2,0,0]=4 72 B10R1.18 N=C(N)CC1=CC=CC=C1 PHBB_SC-08622 [0,0,0,0,2,0|2,0,0]=4 73 B10R1.18 O=C(Cl)CC1=CC=CC=C1 PHBB_SC-04855 [0,0,0,0,2,0|1,0,0]=3 74 B10R1.18 O=C(Cl)OC1=CC=CC=C1 PHBB_SC-04902 [0,0,0,0,2,0|1,0,0]=3 75 B10R1.66 CC(=O)CCC1=CC=CO1 PHBB_SC-01581 [0,0,0,0,2,0|1,0,0]=3 76 B10R1.66 O=C(O)CCC1=CC=CO1 PHBB_NC-01695 [0,0,0,0,2,0|2,0,0]=4 77 B10R1.66 O=C(O)CCN1C=CC=C1 PHBB_SC-11852 [0,0,0,0,2,0|2,0,0]=4