0 B10R1.10 CNCC1=CC(N)=CC=C1 PHBB_SC-05978 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.10 FC1=CC=CC(N=C=S)=C1 PHBB_SC-01401 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.10 NCCC1=CC(F)=CC=C1 PHBB_SC-05860 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.10 O=C=NC1=CC(Cl)=CC=C1 PHBB_SC-04916 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.2 CC1=CC=CC(CCl)=C1 PHBB_SC-05094 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.2 CC1=CC=CC(NN)=C1 PHBB_SC-04421 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.2 COC1=CC=CC(N)=C1 PHBB_SC-05153 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.2 COC1=CC=CC(O)=C1 PHBB_SC-04931 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.2 CSC1=CC(N)=CC=C1 PHBB_SC-05235 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.2 ClCC1=CC=CC(Br)=C1 PHBB_SC-06359 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.2 NCC1=CC(Cl)=CC=C1 PHBB_SC-03472 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.2 NCC1=CC(F)=CC=C1 PHBB_SC-03474 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.2 NCC1=CC(N)=CC=C1 PHBB_SC-05976 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.2 NNC1=CC=CC(F)=C1 PHBB_SC-04449 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.2 NNC1=NC(Cl)=CC=C1 PHBB_SC-05701 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.2 O=CC1=CC(F)=CC=C1 PHBB_SC-02266 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 BrCCC1=CC=CC=C1 PHBB_SC-05006 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.8 CCNC1=CC=CC=C1 PHBB_SC-05020 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 CNCC1=CC=CC=C1 PHBB_SC-04966 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.8 CNCC1=CC=CC=N1 PHBB_SC-10921 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.8 COCC1=CC=CC=C1 PHBB_SC-05053 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.8 ClCCC1=CC=CC=C1 PHBB_SC-03435 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 N#CCC1=NC=CC=C1 PHBB_SC-03787 [1,0,0,0,0,0|1,0,2]=4 23 B9R1.8 NCCC1=CC=NC=C1 PHBB_SC-10402 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.8 NNCC1=CC=CC=C1 PHBB_SC-04682 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.8 O=C=NC1=CC=CC=C1 PHBB_SC-05015 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 OCCC1=NC=CC=C1 PHBB_SC-11012 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.8 S=C=NC1=CC=CC=C1 PHBB_SC-06210 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 PHBB_SC-05022 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.23 NCC(O)C1=CC(O)=CC=C1 PHBB_NC-02930 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.24 NC1=CC(OCCO)=CC=C1 PHBB_SC-06344 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.157 CC1=CC(NC(N)=S)=NC=C1 PHBB_SC-12166 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 PHBB_SC-08709 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.157 NC(=O)NC1=CC=CC(O)=C1 PHBB_SC-04043 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.182 CNCC1=C(O)C=CC(Br)=C1 PHBB_SC-12269 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.189 COC1=CC(N=C=S)=CC=C1 PHBB_SC-01412 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.189 CSC1=CC(N=C=S)=CC=C1 PHBB_SC-01399 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.192 C=CCC1=CC=C(O)C(O)=C1 PHBB_NC-02431 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.192 CNCC1=CC(Cl)=C(O)C=C1 PHBB_SC-12177 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.192 NCCC1=CC(O)=C(O)C=C1 PHBB_NC-01261 [0,1,0,0,0,0|1,0,0]=2 40 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 PHBB_SC-03283 [0,0,0,1,0,0|1,0,2]=4 41 B11R2.36 CC1=CC2=C(C=C1)NC=C2 PHBB_SC-01108 [0,0,0,1,0,0|0,0,2]=3 42 B11R2.36 ClC1=CC=C2NC=CC2=C1 PHBB_SC-11752 [0,0,0,1,0,0|1,0,2]=4 43 B11R2.36 NC1=CC2=C(C=C1)NC=N2 PHBB_SC-11788 [0,0,0,1,0,0|2,0,1]=4 44 B11R2.36 NC1=CC2=C(C=C1)OCO2 PHBB_SC-11809 [0,0,0,1,0,0|3,0,0]=4 45 B11R2.36 OC1=CC2=C(C=C1)NC=C2 PHBB_SC-11754 [0,0,0,1,0,0|1,0,2]=4 46 B11R2.36 OC1=CC2=C(C=C1)OCO2 PHBB_NC-00795 [0,0,0,1,0,0|3,0,0]=4 47 B11R2.36 OC1=CC2=C(C=C1)OCO2 PHBB_NC-03444 [0,0,0,1,0,0|3,0,0]=4 48 B11R2.106 CC1=CC=CC2=C1C=CN2 PHBB_SC-04443 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.7 CC1=CSC(CCN)=N1 PHBB_SC-11768 [0,0,0,0,1,0|2,0,0]=3 50 B9R1.7 CC1=NN(CCCl)C=C1 PHBB_SC-03551 [0,0,0,0,1,0|3,0,0]=4 51 B9R1.7 CC1=NN(CCN)C=C1 PHBB_SC-07677 [0,0,0,0,1,0|2,0,0]=3 52 B9R1.7 CC1=NOC(CCN)=N1 PHBB_SC-06133 [0,0,0,0,1,0|3,0,0]=4 53 B9R1.7 CCCN1C=CC(C)=N1 PHBB_SC-02816 [0,0,0,0,1,0|3,0,0]=4 54 B9R1.7 CN1C=NC(CCN)=N1 PHBB_SC-11582 [0,0,0,0,1,0|3,0,0]=4 55 B9R1.33 CC1=CC=NN1CCCl PHBB_SC-03725 [0,0,0,0,1,0|3,0,0]=4 56 B9R1.33 CC1=CC=NN1CCN PHBB_SC-07633 [0,0,0,0,1,0|2,0,0]=3 57 B9R1.33 CC1=NC=CN1CCN PHBB_SC-11527 [0,0,0,0,1,0|2,0,0]=3 58 B9R1.33 CNCC1=CC=CN1C PHBB_SC-06509 [0,0,0,0,1,0|3,0,0]=4 59 B8R1.2 COC1=NC=CC=C1 PHBB_SC-05115 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.2 ClCC1=CC=CC=N1 PHBB_SC-01935 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.2 ClCC1=CC=CN=C1 PHBB_SC-01948 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 ClCC1=CC=NC=C1 PHBB_SC-01947 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.2 NCC1=CC=CC=N1 PHBB_SC-04231 [2,0,0,0,0,0|1,0,0]=3 64 B8R1.2 NCC1=CN=CC=C1 PHBB_SC-12218 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.2 NNC1=CC=CC=C1 PHBB_SC-04844 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.2 NNC1=NC=CC=C1 PHBB_SC-08592 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.2 OCC1=CC=CC=C1 PHBB_SC-05054 [2,0,0,0,0,0|1,0,0]=3 68 B8R1.4 CC1=CC=CC(C)=N1 PHBB_SC-04998 [2,0,0,0,0,0|1,0,0]=3 69 B8R1.4 CC1=CC=CC(N)=N1 PHBB_SC-04749 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.4 CC1=CC=NC(C)=C1 PHBB_SC-08422 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.4 CC1=CC=NC(N)=N1 PHBB_SC-08356 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.4 NC1=CC(S)=CC=C1 PHBB_SC-03503 [2,0,0,0,0,0|1,0,0]=3 73 B8R1.4 NC1=CC=CC(N)=N1 PHBB_SC-05972 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.4 NC1=CC=NC(Cl)=C1 PHBB_SC-01936 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.4 NC1=NC=CC(Cl)=C1 PHBB_SC-04461 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.2 CCC1=C(O)C(=O)C=CO1 PHBB_NC-03737 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.8 NNC1=CC(F)=CC(F)=C1 PHBB_SC-04451 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.30 NNC1=CC(F)=CC=C1Cl PHBB_SC-04642 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.113 CC(=O)C1=CC(O)=CC=C1 PHBB_SC-05199 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.113 CC(=O)C1=CC=CC(N)=C1 PHBB_SC-10497 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.113 NC(=O)C1=CC=CC(N)=C1 PHBB_SC-08569 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.176 NCC1=CC(Cl)=C(O)C=C1 PHBB_SC-12165 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.1 NCCC1=CC=C(F)C=C1 PHBB_SC-04579 [1,1,0,0,0,0|0,0,0]=2 84 B10R1.1 NCCC1=CC=C(O)C=C1 PHBB_NC-02695 [1,1,0,0,0,0|0,0,0]=2 85 B10R1.4 C=CCC1=CC=CC=C1O PHBB_SC-00690 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.15 CCC(=O)C1=CC=CC=C1 PHBB_SC-08413 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.15 NCC(=O)C1=CC=CC=C1 PHBB_NC-03457 [1,1,0,0,0,0|0,0,1]=3 88 B10R1.17 BrCCCC1=CC=CC=C1 PHBB_SC-08397 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.17 CCCNC1=CC=CC=C1 PHBB_SC-00131 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.17 CCNCC1=CC=CC=C1 PHBB_SC-05041 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.17 CNCCC1=NC=CC=C1 PHBB_SC-02540 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.17 ClC\C=C\C1=CC=CC=C1 PHBB_SC-04918 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.17 NCCCC1=CC=CC=C1 PHBB_NC-02946 [1,1,0,0,0,0|0,0,0]=2 94 B10R1.17 NCCNC1=NC=CC=N1 PHBB_SC-05257 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.17 NCCNC1=NC=CC=N1 PHBB_SC-10781 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.17 NCCOC1=CC=CC=C1 PHBB_SC-08509 [1,1,0,0,0,0|0,0,0]=2 97 B10R1.17 NCCSC1=CC=CC=C1 PHBB_SC-09180 [1,1,0,0,0,0|0,0,0]=2 98 B10R1.17 OCCNC1=CC=CC=C1 PHBB_SC-05134 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.17 OCCOC1=CC=CC=C1 PHBB_SC-01850 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.17 OC\C=C\C1=CC=CC=C1 PHBB_NC-01992 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.17 S=C=NCC1=CC=CC=C1 PHBB_SC-04723 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.18 N=C(N)CC1=CC=CC=C1 PHBB_SC-08622 [1,1,0,0,0,0|0,0,1]=3 103 B10R1.18 NC(=S)NC1=CC=CC=C1 PHBB_SC-04815 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.18 O=C(Cl)CC1=CC=CC=C1 PHBB_SC-04855 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.130 CC1=CC(C)=NN1CCN PHBB_SC-07224 [0,1,0,0,1,0|2,0,0]=4 106 B10R1.130 CC1=CC(C)=NN1CCN PHBB_SC-11559 [0,1,0,0,1,0|2,0,0]=4 107 B10R1.29 CNCCC1=C(C)N=CS1 PHBB_SC-06501 [0,1,0,0,1,0|2,0,0]=4 108 B12R1.280 CNCC1=CC=CC(OC)=C1O PHBB_NC-03831 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.17 [C@@H](O)(CNC)C1=CC=CC(O)=C1 PHBB_NC-02233 [0,2,0,0,0,0|1,0,0]=3 110 B12R1.367 CCC(C)C1=CC(N)=C(O)C=C1 PHBB_SC-06746 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.367 [C@H](O)(CN)C1=CC(O)=C(O)C=C1 PHBB_NC-03769 [0,2,0,0,0,0|1,0,0]=3 112 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 PHBB_SC-10842 [0,2,0,0,0,0|0,0,1]=3 113 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 PHBB_SC-10995 [0,2,0,0,0,0|0,0,1]=3 114 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 PHBB_SC-08710 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 PHBB_SC-05652 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 PHBB_SC-11189 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.382 N#CC1=CC(OCCN)=NC=C1 PHBB_SC-12265 [0,2,0,0,0,0|1,0,1]=4 118 B12R1.382 O=CC1=CC=CC(OCCBr)=C1 PHBB_SC-03674 [0,2,0,0,0,0|1,0,1]=4 119 B12R1.438 CC(C)OC1=CC(CN)=CC=C1 PHBB_SC-09163 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.438 CC(C)OC1=CC(CN)=CC=C1 PHBB_SC-10783 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 PHBB_NC-02429 [0,2,0,0,0,0|1,0,1]=4 122 B12R1.286 CCCC1=CC(OC)=C(O)C=C1 PHBB_NC-00778 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.288 CCCC1=CC(O)=C(OC)C=C1 PHBB_NC-02445 [0,2,0,0,0,0|2,0,0]=4 124 B10R2.6 C1=CC=C(C2CO2)C=C1 PHBB_NC-02009 [1,0,0,1,0,0|1,0,0]=3 125 B10R2.7 C1=CC2=C(C=C1)NC=C2 PHBB_NC-01977 [1,0,0,1,0,0|0,0,2]=4 126 B10R2.7 C1=CC=C2NCCC2=C1 PHBB_SC-00310 [1,0,0,1,0,0|0,0,0]=2 127 B12R2.24 NC1=CC=C2OCCOC2=C1 PHBB_SC-04605 [0,1,0,1,0,0|2,0,0]=4 128 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 PHBB_SC-03714 [0,1,0,1,0,0|1,0,1]=4 129 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 PHBB_SC-03903 [0,1,0,1,0,0|1,0,1]=4 130 B12R2.44 COC1=CC2=C(C=C1)NC=C2 PHBB_NC-01727 [0,1,0,1,0,0|0,0,2]=4 131 B12R2.44 NCC1=CC2=C(C=C1)OCO2 PHBB_SC-01911 [0,1,0,1,0,0|2,0,0]=4 132 B12R2.44 OCC1=CC2=C(C=C1)OCO2 PHBB_NC-01596 [0,1,0,1,0,0|2,0,0]=4 133 B12R2.44 OCC1=CC=C2NC=CC2=C1 PHBB_NC-03059 [0,1,0,1,0,0|0,0,2]=4 134 B12R2.100 CC1=C(C)C=C2NC=NC2=C1 PHBB_SC-08431 [0,1,0,1,0,0|1,0,1]=4 135 B8R1.1 CC1=CC=C(CN)O1 PHBB_SC-08469 [1,0,0,0,1,0|1,0,0]=3 136 B8R1.1 CC1=NC(CN)=CS1 PHBB_SC-10504 [1,0,0,0,1,0|2,0,0]=4 137 B8R1.1 CCC1=NC(C)=CN1 PHBB_SC-04067 [1,0,0,0,1,0|2,0,0]=4 138 B8R1.11 CC1=C(CN)C=NN1 PHBB_SC-02596 [1,0,0,0,1,0|2,0,0]=4 139 B8R1.11 NCC1=CC=CN1C PHBB_SC-09941 [1,0,0,0,1,0|1,0,0]=3 140 B8R1.8 NCCC1=CC=CO1 PHBB_SC-12255 [1,0,0,0,1,0|1,0,0]=3 141 B8R1.8 NCCC1=CNC=N1 PHBB_NC-00805 [1,0,0,0,1,0|2,0,0]=4 142 B8R1.8 NCCN1C=CC=N1 PHBB_SC-11529 [1,0,0,0,1,0|2,0,0]=4 143 B8R1.8 NCCN1C=CN=C1 PHBB_SC-11528 [1,0,0,0,1,0|2,0,0]=4