0 B10R1.17 BrCCCC1=CC=CC=C1 PHBB_SC-08397 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 CCCNC1=CC=CC=C1 PHBB_SC-00131 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 CCNCC1=CC=CC=C1 PHBB_SC-05041 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.17 CNCCC1=NC=CC=C1 PHBB_SC-02540 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.17 ClC\C=C\C1=CC=CC=C1 PHBB_SC-04918 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 NCCCC1=CC=CC=C1 PHBB_NC-02946 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.17 NCCOC1=CC=CC=C1 PHBB_SC-08509 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 NCCSC1=CC=CC=C1 PHBB_SC-09180 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 OCCNC1=CC=CC=C1 PHBB_SC-05134 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 OCCOC1=CC=CC=C1 PHBB_SC-01850 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.17 OC\C=C\C1=CC=CC=C1 PHBB_NC-01992 [0,0,0,0,0,0|2,0,2]=4 11 B10R1.17 S=C=NCC1=CC=CC=C1 PHBB_SC-04723 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.8 BrCCC1=CC=CC=C1 PHBB_SC-05006 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.8 CCNC1=CC=CC=C1 PHBB_SC-05020 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.8 CNCC1=CC=CC=C1 PHBB_SC-04966 [1,0,0,0,0,0|0,0,0]=1 15 B9R1.8 CNCC1=CC=CC=N1 PHBB_SC-10921 [1,0,0,0,0,0|1,0,0]=2 16 B9R1.8 COCC1=CC=CC=C1 PHBB_SC-05053 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.8 ClCCC1=CC=CC=C1 PHBB_SC-03435 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.8 N#CCC1=NC=CC=C1 PHBB_SC-03787 [1,0,0,0,0,0|1,0,2]=4 19 B9R1.8 NCCC1=CC=NC=C1 PHBB_SC-10402 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.8 NNCC1=CC=CC=C1 PHBB_SC-04682 [1,0,0,0,0,0|1,0,0]=2 21 B9R1.8 O=C=NC1=CC=CC=C1 PHBB_SC-05015 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 OCCC1=NC=CC=C1 PHBB_SC-11012 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 S=C=NC1=CC=CC=C1 PHBB_SC-06210 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.1 CC1=CC=C(CN=C=S)C=C1 PHBB_SC-06964 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.1 CCCCC1=CC=C(N)C=C1 PHBB_SC-05042 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.1 CCCOC1=CC=C(O)C=C1 PHBB_SC-04680 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.1 NC1=CC=C(OCCO)C=C1 PHBB_SC-05653 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.1 NCCOC1=CC=C(Br)C=C1 PHBB_SC-11565 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.1 NCCOC1=CC=C(Cl)C=C1 PHBB_SC-11564 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.16 CC(N=C=S)C1=CC=CC=C1 PHBB_SC-01379 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.16 CCCC(=O)C1=CC=CC=C1 PHBB_SC-08436 [0,1,0,0,0,0|1,0,1]=3 32 B11R1.16 CCOC(=O)C1=CC=CC=C1 PHBB_SC-05056 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.16 N#CCC(=O)C1=CC=CC=C1 PHBB_SC-08028 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.17 NC1=C(OCCO)C=CC=C1 PHBB_SC-06057 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.24 NC1=CC(OCCO)=CC=C1 PHBB_SC-06344 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.28 CCCCCC1=CC=CC=N1 PHBB_NC-00788 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.28 CNCCOC1=CC=CC=C1 PHBB_SC-05505 [0,1,0,0,0,0|0,0,0]=1 38 B11R1.28 NCCCNC1=CC=CC=C1 PHBB_SC-08510 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.28 NCCNCC1=CC=CC=C1 PHBB_SC-11016 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.28 NCCOCC1=CC=CC=C1 PHBB_SC-11922 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.28 OCCNCC1=CC=CC=C1 PHBB_SC-04015 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.28 S=C=NCCC1=CC=CC=C1 PHBB_NC-03318 [0,1,0,0,0,0|0,0,2]=3 43 B11R1.40 COC(=O)CC1=CC=CC=C1 PHBB_SC-08463 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.40 N\C(CC1=CC=CC=C1)=N/O PHBB_SC-06055 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 PHBB_SC-01477 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.91 CC(=O)CCC1=CC=CC=C1 PHBB_SC-04990 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.91 CC(N)CCC1=CC=CC=C1 PHBB_NC-02029 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.91 CC(O)C#CC1=CC=CC=C1 PHBB_SC-06989 [0,1,0,0,0,0|1,0,2]=4 49 B11R1.91 NC(=O)NCC1=CC=CC=C1 PHBB_SC-04678 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 PHBB_SC-05183 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.91 O=C(O)CCC1=CC=CC=C1 PHBB_NC-02947 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.91 O=C(O)CNC1=CC=CC=C1 PHBB_NC-02179 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.91 O=C(O)COC1=CC=CC=C1 PHBB_SC-04460 [0,1,0,0,0,0|3,0,0]=4 54 B11R2.1 O=C1OCC2=C1C=CC=C2 PHBB_SC-04029 [0,0,0,1,0,0|3,0,0]=4 55 B11R2.20 C1=CC2=C(C=C1)CNCC2 PHBB_NC-02990 [0,0,0,1,0,0|0,0,0]=1 56 B11R2.20 C1=CC=C2NCCCC2=C1 PHBB_SC-08476 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.12 CCNCC1=CC=CO1 PHBB_SC-01161 [0,0,0,0,1,0|3,0,0]=4 58 B9R1.12 ClCCCN1C=CC=C1 PHBB_SC-10528 [0,0,0,0,1,0|3,0,0]=4 59 B9R1.12 NCCCC1=CC=CO1 PHBB_SC-01555 [0,0,0,0,1,0|3,0,0]=4 60 B8R1.2 COC1=NC=CC=C1 PHBB_SC-05115 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.2 ClCC1=CC=CC=N1 PHBB_SC-01935 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 ClCC1=CC=CN=C1 PHBB_SC-01948 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.2 ClCC1=CC=NC=C1 PHBB_SC-01947 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.2 NCC1=CC=CC=N1 PHBB_SC-04231 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.2 NCC1=CN=CC=C1 PHBB_SC-12218 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.2 NNC1=CC=CC=C1 PHBB_SC-04844 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.2 NNC1=NC=CC=C1 PHBB_SC-08592 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 OCC1=CC=CC=C1 PHBB_SC-05054 [2,0,0,0,0,0|1,0,0]=3 69 B10R1.1 NCCC1=CC=C(F)C=C1 PHBB_SC-04579 [1,1,0,0,0,0|0,0,0]=2 70 B10R1.1 NCCC1=CC=C(O)C=C1 PHBB_NC-02695 [1,1,0,0,0,0|0,0,0]=2 71 B10R1.4 C=CCC1=CC=CC=C1O PHBB_SC-00690 [1,1,0,0,0,0|0,0,2]=4 72 B10R1.4 CNCC1=CC=CN=C1Cl PHBB_SC-11946 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.10 CNCC1=CC(N)=CC=C1 PHBB_SC-05978 [1,1,0,0,0,0|0,0,0]=2 74 B10R1.10 NCCC1=CC(F)=CC=C1 PHBB_SC-05860 [1,1,0,0,0,0|0,0,0]=2 75 B10R1.15 CCC(=O)C1=CC=CC=C1 PHBB_SC-08413 [1,1,0,0,0,0|0,0,1]=3 76 B10R1.15 COC(=O)C1=CC=CC=C1 PHBB_SC-05154 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.15 NCC(=O)C1=CC=CC=C1 PHBB_NC-03457 [1,1,0,0,0,0|0,0,1]=3 78 B10R1.18 N=C(N)CC1=CC=CC=C1 PHBB_SC-08622 [1,1,0,0,0,0|0,0,1]=3 79 B10R1.18 NC(=S)NC1=CC=CC=C1 PHBB_SC-04815 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.18 O=C(Cl)CC1=CC=CC=C1 PHBB_SC-04855 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.21 CNCCCC1=CC=CO1 PHBB_SC-01163 [0,1,0,0,1,0|1,0,0]=3 82 B10R1.29 CNCCC1=C(C)N=CS1 PHBB_SC-06501 [0,1,0,0,1,0|2,0,0]=4 83 B10R1.66 CC(=O)CCC1=CC=CO1 PHBB_SC-01581 [0,1,0,0,1,0|2,0,0]=4 84 B10R1.66 CC(N)CCC1=CC=CO1 PHBB_SC-06890 [0,1,0,0,1,0|2,0,0]=4 85 B12R1.1 CCCCOC1=CC=C(N)C=C1 PHBB_SC-08371 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.1 NCCOCC1=CC=C(Br)C=C1 PHBB_SC-12264 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 PHBB_NC-03323 [0,2,0,0,0,0|0,0,0]=2 88 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 PHBB_NC-00157 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.21 CC(C)COC1=CC=C(N)C=C1 PHBB_SC-09971 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 PHBB_NC-03346 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 PHBB_NC-00016 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 PHBB_SC-08935 [0,2,0,0,0,0|0,0,1]=3 93 B12R1.71 CCCOC1=CC=C(C=O)C=C1 PHBB_SC-08448 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.17 [C@@H](O)(CNC)C1=CC=CC(O)=C1 PHBB_NC-02233 [0,2,0,0,0,0|0,0,0]=2 95 B12R1.30 CCCCC(=O)C1=CC=CC=C1 PHBB_SC-05040 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.30 CN(CCCN)C1=CC=CC=C1 PHBB_SC-08511 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.34 CN[C@@H](C)[C@@H](O)C1=CC=CC=C1 PHBB_NC-01733 [0,2,0,0,0,0|0,0,0]=2 98 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 PHBB_NC-02032 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 PHBB_SC-01239 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 PHBB_NC-02252 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 PHBB_NC-01892 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 PHBB_SC-06228 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 PHBB_SC-08710 [0,2,0,0,0,0|0,0,1]=3 104 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 PHBB_SC-11189 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.8 CC#CCNCC1=CC=CC=C1 PHBB_SC-04273 [0,2,0,0,0,0|1,0,0]=3 106 B12R1.8 CCCCNCC1=CC=CC=C1 PHBB_SC-05090 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.27 COC(=O)CNC1=CC=CC=C1 PHBB_SC-11456 [0,2,0,0,0,0|1,0,1]=4 108 B12R1.32 CN(CC#N)CC1=CC=CC=C1 PHBB_SC-09013 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.32 CNCC(=O)NC1=CC=CN=C1 PHBB_SC-04332 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.252 O=C(O)CSCC1=CC=CC=C1 PHBB_SC-04791 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 PHBB_NC-02068 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.118 COC(CC1=CC=CC=C1)OC PHBB_SC-05116 [0,2,0,0,0,0|1,0,0]=3 113 B10R2.6 C1=CC=C(C2CO2)C=C1 PHBB_NC-02009 [1,0,0,1,0,0|1,0,0]=3 114 B10R2.7 C1=CC2=C(C=C1)NC=C2 PHBB_NC-01977 [1,0,0,1,0,0|0,0,2]=4 115 B10R2.7 C1=CC=C2NCCC2=C1 PHBB_SC-00310 [1,0,0,1,0,0|0,0,0]=2 116 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 PHBB_NC-00687 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.1081 O=C1CCCC2=C1C=CC=C2 PHBB_SC-00363 [0,1,0,1,0,0|1,0,1]=4 118 B12R2.1081 O=C1CCOC2=C1C=CC=C2 PHBB_NC-02285 [0,1,0,1,0,0|2,0,0]=4 119 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 PHBB_SC-07923 [0,1,0,1,0,0|1,0,1]=4 120 B12R2.32 NCC1CC2=CC=CC=C2O1 PHBB_SC-07229 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.32 OCC1CC2=CC=CC=C2O1 PHBB_SC-01602 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.196 CN1C=CC2=C(N)C=CC=C21 PHBB_NC-03688 [0,1,0,1,0,0|0,0,2]=4 123 B12R2.612 CN1C=NC2=C1C=CC(N)=C2 PHBB_SC-03778 [0,1,0,1,0,0|1,0,1]=4 124 B12R2.1 OCN1C=NC2=C1C=CC=C2 PHBB_SC-03988 [0,1,0,1,0,0|1,0,1]=4 125 B12R2.2057 C1=CC(CNC2CC2)=CN=C1 PHBB_SC-07522 [0,1,0,1,0,0|2,0,0]=4 126 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 PHBB_SC-04053 [0,1,0,1,0,0|1,0,0]=3 127 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 PHBB_SC-09297 [0,1,0,1,0,0|2,0,0]=4 128 B12R2.18 CN1C(Cl)=NC2=C1C=CC=C2 PHBB_SC-11292 [0,1,0,1,0,0|1,0,1]=4 129 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 PHBB_SC-04014 [0,1,0,1,0,0|2,0,0]=4 130 B8R1.8 CNCC1=CN=CN1 PHBB_SC-12198 [1,0,0,0,1,0|2,0,0]=4 131 B8R1.8 NCCC1=CC=CO1 PHBB_SC-12255 [1,0,0,0,1,0|1,0,0]=3 132 B8R1.8 NCCC1=CNC=N1 PHBB_NC-00805 [1,0,0,0,1,0|2,0,0]=4 133 B8R1.8 NCCN1C=CC=N1 PHBB_SC-11529 [1,0,0,0,1,0|2,0,0]=4 134 B8R1.8 NCCN1C=CN=C1 PHBB_SC-11528 [1,0,0,0,1,0|2,0,0]=4