0 B12R1.252 O=C(O)CCNC1=NC=CC=N1 PHBB_NC-02965 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.252 O=C(O)CSCC1=CC=CC=C1 PHBB_SC-04791 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.252 O=C([O-])\C=C\SC1=CC=CC=C1 PHBB_SC-00182 [0,0,0,0,0,0|1,0,3]=4 3 B11R1.28 CCCCCC1=CC=CC=N1 PHBB_NC-00788 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 CNCCOC1=CC=CC=C1 PHBB_SC-05505 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.28 NCCCNC1=CC=CC=C1 PHBB_SC-08510 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 NCCNCC1=CC=CC=C1 PHBB_SC-11016 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.28 NCCOCC1=CC=CC=C1 PHBB_SC-11922 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.28 OCCNCC1=CC=CC=C1 PHBB_SC-04015 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.28 S=C=NCCC1=CC=CC=C1 PHBB_NC-03318 [1,0,0,0,0,0|1,1,1]=4 10 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 PHBB_NC-00440 [0,1,0,0,0,0|0,0,1]=2 11 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 PHBB_NC-01600 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 PHBB_SC-10604 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 PHBB_SC-01916 [0,1,0,0,0,0|0,0,3]=4 14 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 PHBB_SC-04011 [0,1,0,0,0,0|2,0,1]=4 15 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 PHBB_SC-05738 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.513 O=C(O)CNCC1=CC=C(Cl)C=C1 PHBB_SC-09324 [0,1,0,0,0,0|1,0,0]=2 17 B13R1.718 COC(=O)CCNC1=CC=CC=C1 PHBB_SC-01083 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 PHBB_SC-06050 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 PHBB_SC-08542 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 PHBB_NC-03311 [0,0,0,1,0,0|1,0,2]=4 21 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 PHBB_SC-05805 [0,0,0,1,0,0|2,0,1]=4 22 B13R2.187 ClC1(Cl)CC1CC2=CC=CC=C2 PHBB_SC-07912 [0,0,0,1,0,0|2,0,1]=4 23 B11R1.91 CC(=O)CCC1=CC=CC=C1 PHBB_SC-04990 [0,0,0,0,1,0|1,0,0]=2 24 B11R1.91 CC(N)CCC1=CC=CC=C1 PHBB_NC-02029 [0,0,0,0,1,0|2,0,1]=4 25 B11R1.91 NC(=O)NCC1=CC=CC=C1 PHBB_SC-04678 [0,0,0,0,1,0|2,0,0]=3 26 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 PHBB_SC-05183 [0,0,0,0,1,0|2,0,0]=3 27 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 PHBB_SC-04874 [0,0,0,0,1,0|1,0,2]=4 28 B11R1.91 O=C(O)C#CC1=CC=CC=C1 PHBB_SC-04745 [0,0,0,0,1,0|0,0,2]=3 29 B11R1.91 O=C(O)CCC1=CC=CC=C1 PHBB_NC-02947 [0,0,0,0,1,0|0,0,0]=1 30 B11R1.91 O=C(O)CNC1=CC=CC=C1 PHBB_NC-02179 [0,0,0,0,1,0|1,0,0]=2 31 B11R1.91 O=C(O)CNC1=NC=CC=N1 PHBB_NC-01871 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.91 O=C(O)COC1=CC=CC=C1 PHBB_SC-04460 [0,0,0,0,1,0|1,0,0]=2 33 B11R1.91 O=C(O)COC1=CC=CN=C1 PHBB_SC-04343 [0,0,0,0,1,0|2,0,0]=3 34 B11R1.91 O=C(O)CSC1=NC=CC=N1 PHBB_SC-04436 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 PHBB_SC-12089 [0,0,0,0,1,0|0,0,2]=3 36 B11R1.172 O=C(O)CCCN1C=CC=C1 PHBB_SC-11882 [0,0,0,0,1,0|1,0,0]=2 37 B11R1.172 O=C(O)CCCN1C=CC=N1 PHBB_SC-06159 [0,0,0,0,1,0|2,0,0]=3 38 B11R1.172 O=C(O)CCCN1C=CN=C1 PHBB_SC-05790 [0,0,0,0,1,0|2,0,0]=3 39 B11R1.172 O=C(O)CCCN1C=NC=N1 PHBB_SC-05792 [0,0,0,0,1,0|3,0,0]=4 40 B11R1.172 O=C(O)CNCC1=CC=CO1 PHBB_SC-06122 [0,0,0,0,1,0|2,0,0]=3 41 B13R1.337 CN(C)CCNCC1=CC=CC=C1 PHBB_SC-07955 [0,0,0,0,0,1|3,0,0]=4 42 B13R1.337 O=C(O)CCCNC1=NC=CC=N1 PHBB_NC-01873 [0,0,0,0,0,1|2,0,0]=3 43 B10R1.17 BrCCCC1=CC=CC=C1 PHBB_SC-08397 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.17 CCCNC1=CC=CC=C1 PHBB_SC-00131 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.17 CCNCC1=CC=CC=C1 PHBB_SC-05041 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.17 NCCCC1=CC=CC=C1 PHBB_NC-02946 [2,0,0,0,0,0|1,0,0]=3 47 B10R1.17 NCCOC1=CC=CC=C1 PHBB_SC-08509 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.17 NCCSC1=CC=CC=C1 PHBB_SC-09180 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.17 OCCNC1=CC=CC=C1 PHBB_SC-05134 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.17 OCCOC1=CC=CC=C1 PHBB_SC-01850 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.17 OC\C=C\C1=CC=CC=C1 PHBB_NC-01992 [2,0,0,0,0,0|0,0,2]=4 52 B12R1.8 CCCCNCC1=CC=CC=C1 PHBB_SC-05090 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 PHBB_NC-00157 [0,1,0,0,1,0|1,0,0]=3 54 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 PHBB_SC-05284 [0,1,0,0,1,0|2,0,0]=4 55 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 PHBB_NC-03346 [0,1,0,0,1,0|0,0,0]=2 56 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 PHBB_SC-06933 [0,1,0,0,1,0|1,0,0]=3 57 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 PHBB_NC-00016 [0,1,0,0,1,0|0,0,0]=2 58 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 PHBB_NC-03501 [0,1,0,0,1,0|1,0,0]=3 59 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 PHBB_NC-01994 [0,1,0,0,1,0|0,0,2]=4 60 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl PHBB_SC-08421 [0,1,0,0,1,0|2,0,0]=4 61 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 PHBB_NC-02068 [0,1,0,0,1,0|1,0,0]=3 62 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O PHBB_NC-03785 [0,1,0,0,1,0|1,0,0]=3 63 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O PHBB_NC-03825 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 PHBB_SC-01239 [0,1,0,0,1,0|1,0,1]=4 65 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 PHBB_NC-02252 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 PHBB_NC-01892 [0,1,0,0,1,0|0,0,0]=2 67 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 PHBB_SC-06228 [0,1,0,0,1,0|0,0,0]=2 68 B12R1.125 O=C(O)CNC1=C(F)C=CC=C1 PHBB_SC-08515 [0,1,0,0,1,0|1,0,0]=3 69 B12R1.125 O=C(O)COC1=C(Cl)C=CC=C1 PHBB_SC-05592 [0,1,0,0,1,0|1,0,0]=3 70 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 PHBB_NC-02010 [0,1,0,0,1,0|0,0,2]=4 71 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 PHBB_SC-11189 [0,1,0,0,1,0|0,0,1]=3 72 B12R1.226 NC1=CC=CC(OCC(=O)O)=C1 PHBB_SC-05364 [0,1,0,0,1,0|1,0,0]=3 73 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 PHBB_NC-01993 [0,1,0,0,1,0|0,0,2]=4 74 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 PHBB_SC-06662 [0,1,0,0,1,0|1,0,1]=4 75 B12R1.105 O=C(O)CCCN1C=C(Br)C=N1 PHBB_SC-11918 [0,1,0,0,1,0|2,0,0]=4 76 B12R1.130 CC1=NC=CN1CCCC(=O)O PHBB_SC-05694 [0,1,0,0,1,0|2,0,0]=4 77 B12R1.477 COC(=O)CNCC1=CC=CO1 PHBB_SC-06114 [0,1,0,0,1,0|2,0,0]=4 78 B14R1.423 CN(CCC(=O)O)CC1=CC=CC=C1 PHBB_SC-05739 [0,1,0,0,0,1|0,0,0]=2 79 B14R1.423 O=C(O)CCC(=O)NC1=CC=CN=C1 PHBB_SC-09662 [0,1,0,0,0,1|1,0,1]=4 80 B14R1.818 CC(=O)CC(=O)OCC1=CC=CC=C1 PHBB_SC-08425 [0,1,0,0,0,1|1,0,1]=4 81 B14R1.6449 [C@H](N)(CSCC1=CC=CC=C1)C(=O)O PHBB_NC-00765 [0,1,0,0,0,1|0,0,0]=2 82 B14R1.149 NC1=CC(C(=O)NCC(=O)O)=CC=C1 PHBB_NC-02100 [0,2,0,0,0,0|1,0,1]=4 83 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 PHBB_NC-00326 [0,2,0,0,0,0|1,0,1]=4 84 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 PHBB_SC-07014 [0,2,0,0,0,0|0,0,1]=3 85 B14R1.678 O=C(O)CCC(=O)C1=CC=C(F)C=C1 PHBB_SC-04088 [0,2,0,0,0,0|0,0,1]=3 86 B14R1.813 O=C(O)CCS(=O)(=O)C1=CC=CC=C1 PHBB_SC-02271 [0,2,0,0,0,0|1,0,0]=3 87 B14R1.1025 COC(=O)CCNC1=CC=CC(Cl)=C1 PHBB_SC-06415 [0,2,0,0,0,0|1,0,0]=3 88 B14R1.4920 O=C(O)CNCC1=C(F)C=CC=C1Cl PHBB_SC-09480 [0,2,0,0,0,0|1,0,0]=3 89 B14R1.4 COC1=CC=C(CNCC(=O)O)C=C1 PHBB_NC-03155 [0,2,0,0,0,0|1,0,0]=3 90 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 PHBB_SC-09660 [0,2,0,0,0,0|1,0,0]=3 91 B14R1.13 COC(=O)CCNC1=CC=C(F)C=C1 PHBB_SC-06416 [0,2,0,0,0,0|1,0,0]=3 92 B14R1.520 CNCC(=O)NCCC1=CC=CC=C1 PHBB_SC-05844 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.520 NCCC(=O)NCCC1=CC=CC=C1 PHBB_SC-06016 [0,2,0,0,0,0|2,0,0]=4 94 B12R2.1081 O=C1CCCC2=C1C=CC=C2 PHBB_SC-00363 [1,0,0,1,0,0|0,0,0]=2 95 B12R2.1081 O=C1CCOC2=C1C=CC=C2 PHBB_NC-02285 [1,0,0,1,0,0|1,0,0]=3 96 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 PHBB_SC-04053 [1,0,0,1,0,0|1,0,1]=4 97 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 PHBB_NC-00341 [0,0,0,1,1,0|0,0,2]=4 98 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 PHBB_NC-00687 [0,0,0,1,1,0|0,0,0]=2 99 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 PHBB_SC-11805 [0,0,0,1,1,0|2,0,0]=4 100 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 PHBB_NC-00343 [0,0,0,1,0,1|0,0,2]=4 101 B14R2.2 O=C(O)CN1C=CC2=CC=CC=C21 PHBB_NC-02970 [0,0,0,1,0,1|0,0,2]=4 102 B14R2.2 O=C(O)CN1C=NC2=CC=CC=C21 PHBB_SC-04491 [0,0,0,1,0,1|1,0,1]=4 103 B14R2.68 O=C1CCC(C2=CC=CC=C2)CC1 PHBB_SC-04044 [0,1,0,1,0,0|1,0,0]=3 104 B14R2.768 O=C(O)CC1=NC2=CC=CC=C2N1 PHBB_SC-06823 [0,1,0,1,0,0|1,0,1]=4 105 B14R2.781 CC(=O)C1COC2=CC=CC=C2O1 PHBB_SC-06640 [0,1,0,1,0,0|2,0,0]=4 106 B14R2.781 NC(=O)C1CC2=CC=CC=C2CN1 PHBB_SC-07222 [0,1,0,1,0,0|2,0,0]=4 107 B14R2.781 NC(=O)C1CCC2=CC=CC=C2N1 PHBB_SC-05355 [0,1,0,1,0,0|1,0,0]=3 108 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 PHBB_NC-01322 [0,1,0,1,0,0|1,0,1]=4 109 B14R2.781 O=C(O)C1CC2=C(C=CC=C2)CN1 PHBB_NC-00796 [0,1,0,1,0,0|1,0,0]=3 110 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 PHBB_SC-02173 [0,1,0,1,0,0|1,0,0]=3 111 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 PHBB_NC-01334 [0,1,0,1,0,0|1,0,0]=3 112 B14R2.741 NC1CCC2=CC=CC=C2NC1=O PHBB_SC-06068 [0,1,0,1,0,0|1,0,0]=3 113 B14R2.741 O=C1NC2=C(C=CC=C2)CCC1Br PHBB_SC-02179 [0,1,0,1,0,0|1,0,0]=3 114 B14R2.95 NCC(=O)N1CCC2=CC=CC=C21 PHBB_SC-05597 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.958 NNC(=O)[C@@H]1C[C@@H]1C2=CC=CC=C2 PHBB_SC-06630 [0,1,0,1,0,0|1,0,0]=3 116 B14R2.958 NNC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 PHBB_SC-00239 [0,1,0,1,0,0|1,0,0]=3 117 B10R1.18 N=C(N)CC1=CC=CC=C1 PHBB_SC-08622 [0,0,0,0,2,0|2,0,0]=4 118 B10R1.18 O=C(Cl)CC1=CC=CC=C1 PHBB_SC-04855 [0,0,0,0,2,0|1,0,0]=3 119 B10R1.18 O=C(Cl)OC1=CC=CC=C1 PHBB_SC-04902 [0,0,0,0,2,0|2,0,0]=4 120 B10R1.66 CC(=O)CCC1=CC=CO1 PHBB_SC-01581 [0,0,0,0,2,0|2,0,0]=4 121 B10R1.66 O=C(O)CCC1=CC=CO1 PHBB_NC-01695 [0,0,0,0,2,0|1,0,0]=3 122 B10R1.66 O=C(O)CCN1C=CC=C1 PHBB_SC-11852 [0,0,0,0,2,0|1,0,0]=3 123 B10R1.66 O=C(O)CCN1C=CC=N1 PHBB_SC-03391 [0,0,0,0,2,0|2,0,0]=4 124 B10R1.66 O=C(O)CCN1C=CN=C1 PHBB_SC-00625 [0,0,0,0,2,0|2,0,0]=4