0 B9R1.2 CC1=CC=CC(CCl)=C1 PHBB_SC-05094 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.2 CC1=CC=CC(NN)=C1 PHBB_SC-04421 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.2 COC1=CC=CC(N)=C1 PHBB_SC-05153 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.2 COC1=CC=CC(O)=C1 PHBB_SC-04931 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.2 CSC1=CC(N)=CC=C1 PHBB_SC-05235 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.2 ClCC1=CC=CC(Br)=C1 PHBB_SC-06359 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.2 NCC1=CC(Cl)=CC=C1 PHBB_SC-03472 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.2 NCC1=CC(F)=CC=C1 PHBB_SC-03474 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.2 NCC1=CC(N)=CC=C1 PHBB_SC-05976 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.2 NNC1=NC(Cl)=CC=C1 PHBB_SC-05701 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.2 O=CC1=NC(Br)=CC=C1 PHBB_SC-03563 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.2 C=CC1=CC=CC=N1 PHBB_SC-03996 [1,0,0,0,0,0|1,0,2]=4 12 B8R1.2 COC1=NC=CC=C1 PHBB_SC-05115 [1,0,0,0,0,0|2,0,0]=3 13 B8R1.2 ClCC1=CC=CC=N1 PHBB_SC-01935 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.2 ClCC1=CC=CN=C1 PHBB_SC-01948 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.2 N#CC1=NC=CC=C1 PHBB_SC-05863 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.2 N#CC1=NC=CN=C1 PHBB_SC-05861 [1,0,0,0,0,0|1,0,1]=3 17 B8R1.2 NCC1=CC=CC=N1 PHBB_SC-04231 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.2 NCC1=CN=CC=C1 PHBB_SC-12218 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.2 NNC1=NC=CC=C1 PHBB_SC-08592 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.2 O=CC1=CC=CC=N1 PHBB_SC-05238 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.2 O=CC1=CN=CC=C1 PHBB_SC-11009 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.2 OCC1=CC=CC=C1 PHBB_SC-05054 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.4 CC1=CC=CC(C)=N1 PHBB_SC-04998 [1,0,0,0,0,0|1,0,0]=2 24 B8R1.4 CC1=CC=CC(N)=N1 PHBB_SC-04749 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.4 CC1=CC=NC(C)=C1 PHBB_SC-08422 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.4 CC1=CC=NC(N)=N1 PHBB_SC-08356 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.4 ClC1=CC=CC(Cl)=N1 PHBB_SC-03975 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.4 NC1=CC=CC(N)=N1 PHBB_SC-05972 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.4 NC1=NC(Cl)=CN=C1 PHBB_SC-06300 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.10 CNCC1=CC(N)=CC=C1 PHBB_SC-05978 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.10 NCCC1=CC(F)=CC=C1 PHBB_SC-05860 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.113 CN(C)C1=NC(Cl)=CC=C1 PHBB_SC-12039 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.176 COC1=NN(C)C(=O)C=C1 PHBB_SC-09818 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.1 CC1=CC=C(C=O)N1 PHBB_SC-05640 [0,0,0,0,1,0|1,0,2]=4 35 B8R1.1 CC1=CC=C(C=O)O1 PHBB_SC-05980 [0,0,0,0,1,0|2,0,1]=4 36 B8R1.1 CC1=CC=C(CN)O1 PHBB_SC-08469 [0,0,0,0,1,0|2,0,0]=3 37 B8R1.1 CC1=NC(CN)=CS1 PHBB_SC-10504 [0,0,0,0,1,0|2,0,0]=3 38 B8R1.1 CC1=NOC(CCl)=N1 PHBB_SC-06473 [0,0,0,0,1,0|2,0,0]=3 39 B8R1.1 CC1=NOC(CN)=N1 PHBB_SC-05343 [0,0,0,0,1,0|2,0,0]=3 40 B8R1.1 CC1=NOC(CN)=N1 PHBB_SC-11952 [0,0,0,0,1,0|2,0,0]=3 41 B8R1.1 CCC1=NC(Br)=NN1 PHBB_SC-08641 [0,0,0,0,1,0|2,0,0]=3 42 B8R1.1 CCC1=NC(C)=CN1 PHBB_SC-04067 [0,0,0,0,1,0|0,0,1]=2 43 B8R1.1 CCC1=NC(Cl)=NN1 PHBB_SC-05613 [0,0,0,0,1,0|2,0,0]=3 44 B8R1.1 CCC1=NC(N)=NN1 PHBB_SC-05380 [0,0,0,0,1,0|2,0,0]=3 45 B8R1.1 CN1C=C(CO)C=N1 PHBB_SC-09401 [0,0,0,0,1,0|3,0,0]=4 46 B8R1.1 CN1C=NC(CN)=N1 PHBB_SC-11585 [0,0,0,0,1,0|2,0,0]=3 47 B8R1.1 COC1=NNC(Br)=N1 PHBB_SC-11463 [0,0,0,0,1,0|3,0,0]=4 48 B8R1.1 CSC1=NNC(N)=N1 PHBB_SC-05602 [0,0,0,0,1,0|3,0,0]=4 49 B8R1.1 CSC1=NSC(N)=N1 PHBB_SC-06230 [0,0,0,0,1,0|3,0,0]=4 50 B8R1.1 ClCN1C=NC(Br)=N1 PHBB_SC-11674 [0,0,0,0,1,0|3,0,0]=4 51 B8R1.1 ClCN1C=NC(Cl)=N1 PHBB_SC-11673 [0,0,0,0,1,0|3,0,0]=4 52 B8R1.1 NC1=NC(CO)=NN1 PHBB_SC-06172 [0,0,0,0,1,0|3,0,0]=4 53 B8R1.1 NCC1=NC(Br)=NN1 PHBB_SC-12242 [0,0,0,0,1,0|3,0,0]=4 54 B8R1.1 NCC1=NC(N)=NN1 PHBB_SC-10037 [0,0,0,0,1,0|3,0,0]=4 55 B8R1.1 OCC1=NC(Cl)=NN1 PHBB_SC-06522 [0,0,0,0,1,0|3,0,0]=4 56 B8R1.1 OCN1C=NC(Br)=N1 PHBB_SC-11663 [0,0,0,0,1,0|3,0,0]=4 57 B8R1.1 OCN1C=NC(Cl)=N1 PHBB_SC-11655 [0,0,0,0,1,0|3,0,0]=4 58 B8R1.11 CC1=C(CN)C=NN1 PHBB_SC-02596 [0,0,0,0,1,0|2,0,0]=3 59 B8R1.11 NCC1=CC=CN1C PHBB_SC-09941 [0,0,0,0,1,0|3,0,0]=4 60 B7R1.3 BrC1=CC=CC=N1 PHBB_SC-03588 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.3 BrC1=CN=CC=C1 PHBB_SC-03589 [2,0,0,0,0,0|2,0,0]=4 62 B7R1.3 ClC1=CC=CC=N1 PHBB_SC-08381 [2,0,0,0,0,0|2,0,0]=4 63 B7R1.3 ClC1=NC=CN=C1 PHBB_SC-05188 [2,0,0,0,0,0|1,0,0]=3 64 B7R1.3 FC1=CC=CC=N1 PHBB_SC-02265 [2,0,0,0,0,0|2,0,0]=4 65 B7R1.3 NC1=CC=CN=C1 PHBB_SC-04750 [2,0,0,0,0,0|2,0,0]=4 66 B7R1.3 NC1=NC=CC=C1 PHBB_SC-04825 [2,0,0,0,0,0|2,0,0]=4 67 B7R1.3 OC1=CN=CC=C1 PHBB_SC-00252 [2,0,0,0,0,0|2,0,0]=4 68 B7R1.3 OC1=NC=CC=C1 PHBB_SC-05212 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.1 CCC1=CC=C(N)C=C1 PHBB_SC-05039 [1,1,0,0,0,0|2,0,0]=4 70 B9R1.1 ClCC1=CC=C(Cl)N=C1 PHBB_SC-01460 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.6 CC(=O)C1=CC=CC=N1 PHBB_SC-04703 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.6 CC(=O)C1=NC=CN=C1 PHBB_SC-12128 [1,1,0,0,0,0|0,0,1]=3 73 B9R1.6 C[C@@H](N)C1=CC=CC=C1 PHBB_NC-02025 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.6 NC(=O)C1=CN=CC=N1 PHBB_SC-00823 [1,1,0,0,0,0|1,0,1]=4 75 B9R1.6 O=C(O)C1=CN=CC=N1 PHBB_SC-03976 [1,1,0,0,0,0|1,0,1]=4 76 B9R1.8 BrCCC1=CC=CC=C1 PHBB_SC-05006 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.8 CCNC1=CC=CC=C1 PHBB_SC-05020 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.8 CNCC1=CC=CC=C1 PHBB_SC-04966 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.8 CNCC1=CC=CC=N1 PHBB_SC-10921 [1,1,0,0,0,0|1,0,0]=3 80 B9R1.8 COCC1=CC=CC=C1 PHBB_SC-05053 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.8 ClCCC1=CC=CC=C1 PHBB_SC-03435 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.8 N#CCC1=NC=CC=C1 PHBB_SC-03787 [1,1,0,0,0,0|1,0,1]=4 83 B9R1.8 OCCC1=NC=CC=C1 PHBB_SC-11012 [1,1,0,0,0,0|1,0,0]=3 84 B9R1.15 CNC1=C(N)C=CC=N1 PHBB_SC-09833 [1,1,0,0,0,0|2,0,0]=4 85 B9R1.15 COC1=C(N)C=CC=N1 PHBB_SC-05480 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.3 CC1=CC=CC(C)=C1O PHBB_SC-04981 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.34 CC1=CC(C)=NC(C)=C1 PHBB_SC-06215 [1,1,0,0,0,0|1,0,0]=3 88 B9R1.34 CC1=NC(C)=NC(Cl)=C1 PHBB_SC-08231 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.69 CC1=CC(C)=C(O)C=C1 PHBB_SC-05002 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.69 CC1=CN=C(C)C(Cl)=N1 PHBB_SC-09600 [1,1,0,0,0,0|1,0,0]=3 91 B9R1.7 CC1=CSC(CCN)=N1 PHBB_SC-11768 [0,1,0,0,1,0|1,0,0]=3 92 B9R1.7 CC1=NN(CCCl)C=C1 PHBB_SC-03551 [0,1,0,0,1,0|1,0,0]=3 93 B9R1.7 CC1=NN(CCN)C=C1 PHBB_SC-07677 [0,1,0,0,1,0|1,0,0]=3 94 B9R1.7 CC1=NOC(CCN)=N1 PHBB_SC-06133 [0,1,0,0,1,0|1,0,0]=3 95 B9R1.7 CCCC1=NC(Cl)=NN1 PHBB_SC-10287 [0,1,0,0,1,0|2,0,0]=4 96 B9R1.7 CCCN1C=CC(C)=N1 PHBB_SC-02816 [0,1,0,0,1,0|1,0,0]=3 97 B9R1.7 CCCN1C=CC(N)=N1 PHBB_SC-02553 [0,1,0,0,1,0|2,0,0]=4 98 B9R1.7 CN1C=NC(CCN)=N1 PHBB_SC-11582 [0,1,0,0,1,0|1,0,0]=3 99 B9R1.7 CNCC1=NC(C)=NO1 PHBB_SC-11339 [0,1,0,0,1,0|1,0,0]=3 100 B9R1.7 COCC1=NNC(N)=N1 PHBB_SC-11769 [0,1,0,0,1,0|2,0,0]=4 101 B9R1.7 COCN1C=NC(Cl)=N1 PHBB_SC-11328 [0,1,0,0,1,0|2,0,0]=4 102 B9R1.7 ClCCN1C=NC(Br)=N1 PHBB_SC-11548 [0,1,0,0,1,0|2,0,0]=4 103 B9R1.7 OCCN1C=NC(Br)=N1 PHBB_SC-11546 [0,1,0,0,1,0|2,0,0]=4 104 B9R1.22 CC1=CC(C)=NN1CO PHBB_SC-02809 [0,1,0,0,1,0|2,0,0]=4 105 B9R1.22 CCN1N=C(C)C=C1C PHBB_SC-02632 [0,1,0,0,1,0|1,0,0]=3 106 B9R1.22 CCN1N=C(N)C=C1C PHBB_SC-02552 [0,1,0,0,1,0|2,0,0]=4 107 B9R1.23 CCN1C=C(N)C(C)=N1 PHBB_SC-04591 [0,1,0,0,1,0|1,0,0]=3 108 B9R1.23 CN1N=C(CO)N=C1Cl PHBB_SC-12211 [0,1,0,0,1,0|2,0,0]=4 109 B9R1.35 CC(=O)C1=CC=C(C)O1 PHBB_SC-07914 [0,1,0,0,1,0|1,0,1]=4 110 B9R1.35 CC(C)C1=NC(Br)=NN1 PHBB_SC-05379 [0,1,0,0,1,0|2,0,0]=4 111 B9R1.35 CC(C)C1=NC(Cl)=NN1 PHBB_SC-05267 [0,1,0,0,1,0|2,0,0]=4 112 B9R1.35 CC1=NN(C(F)F)C=C1 PHBB_SC-02631 [0,1,0,0,1,0|2,0,0]=4 113 B9R1.27 CC1=NNC(C)=C1CN PHBB_SC-02597 [0,1,0,0,1,0|2,0,0]=4 114 B9R1.27 CC1=NOC(C)=C1CCl PHBB_SC-02887 [0,1,0,0,1,0|2,0,0]=4 115 B9R1.27 CC1=NOC(C)=C1CN PHBB_SC-06058 [0,1,0,0,1,0|2,0,0]=4 116 B9R1.33 CNCC1=CC=CN1C PHBB_SC-06509 [0,1,0,0,1,0|2,0,0]=4 117 B11R1.159 CC1=CC=CC(C(C)C)=C1N PHBB_SC-11815 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.34 CCSC1=NC(C)=CC(C)=N1 PHBB_SC-02819 [0,2,0,0,0,0|2,0,0]=4 119 B11R1.157 CC(=O)NC1=NC(Cl)=CN=C1 PHBB_SC-10004 [0,2,0,0,0,0|1,0,1]=4 120 B11R1.37 COC1=NC(C)=CC=C1C#N PHBB_SC-11062 [0,2,0,0,0,0|2,0,0]=4 121 B9R2.3 C1=NNC2=C1CCC2 PHBB_SC-05297 [0,0,0,1,1,0|1,0,0]=3 122 B7R1.1 CCC1=NC=CN1 PHBB_SC-05150 [1,0,0,0,1,0|0,0,1]=3 123 B7R1.1 COC1=NC=CS1 PHBB_SC-12117 [1,0,0,0,1,0|2,0,0]=4 124 B7R1.1 NCC1=CC=CO1 PHBB_SC-08340 [1,0,0,0,1,0|2,0,0]=4 125 B7R1.2 CC1=CC(C)=NN1 PHBB_SC-03307 [1,0,0,0,1,0|2,0,0]=4 126 B7R1.2 CC1=CN=C(Br)S1 PHBB_SC-09114 [1,0,0,0,1,0|2,0,0]=4 127 B7R1.2 CC1=CN=C(Cl)S1 PHBB_SC-05719 [1,0,0,0,1,0|2,0,0]=4 128 B7R1.2 CC1=CN=C(N)S1 PHBB_SC-05230 [1,0,0,0,1,0|2,0,0]=4 129 B7R1.2 CC1=CNC(C)=N1 PHBB_SC-08459 [1,0,0,0,1,0|0,0,1]=3 130 B7R1.2 CC1=NC(Br)=NN1 PHBB_SC-10509 [1,0,0,0,1,0|2,0,0]=4 131 B7R1.2 CC1=NC(N)=NN1 PHBB_SC-08230 [1,0,0,0,1,0|2,0,0]=4 132 B7R1.2 CC1=NC(N)=NO1 PHBB_SC-11556 [1,0,0,0,1,0|2,0,0]=4 133 B7R1.2 CN1C=CC(N)=N1 PHBB_SC-09994 [1,0,0,0,1,0|2,0,0]=4 134 B7R1.2 CN1C=NC(Br)=N1 PHBB_SC-10330 [1,0,0,0,1,0|2,0,0]=4 135 B7R1.2 CN1C=NC(Cl)=N1 PHBB_SC-10645 [1,0,0,0,1,0|2,0,0]=4 136 B7R1.2 N1N=C(Cl)N=C1C PHBB_SC-00980 [1,0,0,0,1,0|2,0,0]=4