0 B9R1.35 CC(=O)C1=CC=C(C)O1 PHBB_SC-07914 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)C1=CN(C)N=C1 PHBB_SC-10219 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CC1=CC(C(=O)O)=NO1 PHBB_SC-06044 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 PHBB_SC-02895 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.35 CC1=NC(C(=O)O)=CO1 PHBB_SC-08519 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CC1=NC([N+](=O)[O-])=CN1 PHBB_SC-06187 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 CC1=NN=C(C(=O)O)N1 PHBB_SC-08170 [0,0,0,0,0,0|1,0,1]=2 7 B9R1.35 CC1=NNC(C(=O)O)=C1 PHBB_SC-00814 [0,0,0,0,0,0|0,0,2]=2 8 B9R1.35 CC1=NOC(C(=O)O)=C1 PHBB_SC-09464 [0,0,0,0,0,0|1,0,1]=2 9 B9R1.35 CN1C=C(C(=O)O)C=N1 PHBB_SC-04509 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 CN1C=CC(C(=O)O)=N1 PHBB_SC-04406 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.35 N1N=C([N+](=O)[O-])N=C1Br PHBB_SC-05731 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.35 NC1=NN=C(C(=O)O)N1 PHBB_SC-12232 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.35 NC1=NNC(C(=O)O)=N1 PHBB_SC-03241 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.35 O=C(O)C1=CC(Cl)=NO1 PHBB_SC-10435 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.35 O=C(O)C1=CC=C(Br)O1 PHBB_SC-02248 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 O=C(O)C1=CN=C(Br)S1 PHBB_SC-03842 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.35 O=C(O)C1=CSC(Br)=N1 PHBB_SC-03841 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.35 O=C(O)C1=NC(Br)=NN1 PHBB_SC-10792 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.35 O=C(O)C1=NC(O)=NN1 PHBB_SC-09987 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.35 O=C(O)C1=NNC(Cl)=N1 PHBB_SC-06439 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.35 O=C1C=C(C(=O)O)NN1 PHBB_SC-03106 [0,0,0,0,0,0|1,0,1]=2 22 B9R1.35 O=C1NN=C(C(=O)[O-])N1 PHBB_SC-11222 [0,0,0,0,0,0|2,0,1]=3 23 B8R1.1 CC1=CC=C(C=O)N1 PHBB_SC-05640 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.1 CC1=CC=C(C=O)O1 PHBB_SC-05980 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.1 NC1=NC(CO)=NN1 PHBB_SC-06172 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.7 CC(=O)C1=CC=CN1 PHBB_SC-02946 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.7 CS(=O)C1=NNC=N1 PHBB_SC-06324 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.7 O=C(Cl)C1=CC=CS1 PHBB_SC-04856 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.7 O=C(Cl)C1=CSN=N1 PHBB_SC-03050 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.7 O=C(O)C1=CC=CN1 PHBB_SC-10263 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.7 O=C(O)C1=CC=CO1 PHBB_SC-04684 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.7 O=C(O)C1=CC=NN1 PHBB_SC-04604 [1,0,0,0,0,0|0,0,2]=3 33 B8R1.7 O=C(O)C1=CSN=N1 PHBB_SC-03047 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.7 O=C(O)C1=NC=NN1 PHBB_SC-10644 [1,0,0,0,0,0|1,0,2]=4 35 B8R1.7 O=C(O)C1=NNC=C1 PHBB_SC-06674 [1,0,0,0,0,0|0,0,0]=1 36 B8R1.7 O=[N+]([O-])C1=NNC=C1 PHBB_SC-03331 [1,0,0,0,0,0|1,0,1]=3 37 B8R1.7 O=[N+]([O-])C1=NNC=N1 PHBB_SC-02786 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.7 OC(=O)C1=CSC=C1 PHBB_SC-06117 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.14 CC1=NNC(C(=O)NN)=C1 PHBB_SC-00817 [0,1,0,0,0,0|1,0,2]=4 40 B10R1.14 COC(=O)C1=CC(C)=NN1 PHBB_SC-09926 [0,1,0,0,0,0|0,0,2]=3 41 B10R1.14 COC(=O)C1=NC(C)=NN1 PHBB_SC-11615 [0,1,0,0,0,0|1,0,2]=4 42 B10R1.14 COC(=O)C1=NNC(N)=N1 PHBB_SC-04552 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.14 O=C(NO)C1=NNC(Cl)=N1 PHBB_SC-06591 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.31 CCC1=CC=C(C(=O)O)S1 PHBB_SC-07352 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.31 CCN1C=C(C(=O)O)C=N1 PHBB_SC-03332 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.31 O=C(O)C1=CN(CO)N=C1 PHBB_SC-02665 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 PHBB_SC-07372 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.58 CN1N=C(C(=O)O)N=C1Br PHBB_SC-11890 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.58 CN1N=C(C(=O)O)N=C1Cl PHBB_SC-11873 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.58 CN1N=C(C(=O)O)N=C1O PHBB_SC-11874 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.58 CN1N=C(C(N)=O)N=C1Cl PHBB_SC-12241 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.59 CC1=CC(C(=O)O)=C(C)N1 PHBB_SC-01666 [0,1,0,0,0,0|1,0,0]=2 53 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 PHBB_SC-11039 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 PHBB_SC-07044 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 PHBB_SC-03937 [0,1,0,0,0,0|0,0,2]=3 56 B10R1.59 CC1=NN(C)C=C1C(=O)O PHBB_SC-07785 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.59 CN1C=C(Br)C=C1C(=O)O PHBB_SC-11187 [0,1,0,0,0,0|2,0,1]=4 58 B10R1.194 CC1=C(C(=O)O)C=NN1C PHBB_SC-02587 [0,1,0,0,0,0|2,0,1]=4 59 B10R1.194 CC1=C(C(=O)O)NNC1=O PHBB_SC-04269 [0,1,0,0,0,0|1,0,1]=3 60 B10R1.194 CC1=NNC(C(=O)O)=C1Br PHBB_SC-05793 [0,1,0,0,0,0|0,0,2]=3 61 B10R1.194 CC1=NNC(C(=O)O)=C1Cl PHBB_SC-06185 [0,1,0,0,0,0|0,0,2]=3 62 B10R1.194 CC1=NNC(C(=O)O)=C1I PHBB_SC-06184 [0,1,0,0,0,0|0,0,2]=3 63 B10R1.194 CC1=NNC(C(N)=O)=C1Br PHBB_SC-11609 [0,1,0,0,0,0|1,0,2]=4 64 B10R1.194 CN1N=CC(C(=O)O)=C1N PHBB_SC-05899 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.13 CC(=O)C1=CC=C(C)C=C1 PHBB_SC-04777 [0,0,0,0,0,1|3,0,0]=4 66 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 PHBB_SC-08420 [0,0,0,0,0,1|3,0,0]=4 67 B10R1.13 NC1=CC=C(C(=O)O)C=N1 PHBB_SC-07843 [0,0,0,0,0,1|2,0,1]=4 68 B10R1.13 O=C(O)C1=CC=C(F)C=C1 PHBB_SC-04695 [0,0,0,0,0,1|3,0,0]=4 69 B10R1.13 O=C(O)C1=CC=C(O)C=C1 PHBB_NC-02033 [0,0,0,0,0,1|3,0,0]=4 70 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 PHBB_SC-03319 [0,0,0,0,0,1|2,0,1]=4 71 B10R1.13 O=C1C=CC(C(=O)O)=CN1 PHBB_NC-02879 [0,0,0,0,0,1|2,0,0]=3 72 B10R1.13 O=C1C=CC(C(=O)O)=CO1 PHBB_NC-01962 [0,0,0,0,0,1|3,0,0]=4 73 B10R1.13 O=C1C=CC(C(=O)O)=NN1 PHBB_SC-02292 [0,0,0,0,0,1|1,0,0]=2 74 B10R1.13 O=C1CCC(C(=O)O)=NN1 PHBB_SC-02293 [0,0,0,0,0,1|1,0,1]=3 75 B10R1.54 CC1=CN(CC(=O)O)N=C1 PHBB_SC-07348 [0,0,0,0,0,1|2,0,0]=3 76 B10R1.54 CC1=NC(CC(=O)O)=CS1 PHBB_SC-07641 [0,0,0,0,0,1|3,0,0]=4 77 B10R1.54 NC(=O)CC1=NNC(N)=N1 PHBB_SC-09749 [0,0,0,0,0,1|3,0,0]=4 78 B10R1.54 NC1=NN=C(CC(=O)O)N1 PHBB_SC-04431 [0,0,0,0,0,1|2,0,1]=4 79 B10R1.54 O=C(O)CC1=CC(=O)NN1 PHBB_SC-11600 [0,0,0,0,0,1|1,0,1]=3 80 B10R1.54 O=C(O)CN1C=C(Br)C=N1 PHBB_SC-09321 [0,0,0,0,0,1|3,0,0]=4 81 B10R1.54 O=C(O)CN1C=C(I)C=N1 PHBB_SC-12129 [0,0,0,0,0,1|3,0,0]=4 82 B10R1.113 NC1=CC(C(=O)O)=CN=C1 PHBB_SC-03701 [0,0,0,0,0,1|2,0,0]=3 83 B10R1.113 NC1=CC=CC(C(=O)O)=C1 PHBB_SC-12098 [0,0,0,0,0,1|3,0,0]=4 84 B10R1.113 NC1=NC=CC(C(=O)O)=C1 PHBB_SC-07844 [0,0,0,0,0,1|2,0,1]=4 85 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 PHBB_SC-02168 [0,0,0,0,0,1|2,0,0]=3 86 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 PHBB_SC-07057 [0,0,0,0,0,1|2,0,0]=3 87 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 PHBB_SC-03500 [0,0,0,0,0,1|2,0,1]=4 88 B10R1.113 O=C(O)C1=CC(O)=CN=C1 PHBB_NC-01786 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.113 O=C(O)C1=CC=CC(O)=C1 PHBB_SC-04677 [0,0,0,0,0,1|3,0,0]=4 90 B7R0.4 C\C=C\C=C\C(=O)O PHBB_NC-00670 [1,0,1,0,0,0|2,0,0]=4 91 B7R1.1 O=CC1=CC=CN1 PHBB_SC-03496 [2,0,0,0,0,0|1,0,1]=4 92 B7R1.1 O=CC1=CC=CS1 PHBB_SC-11010 [2,0,0,0,0,0|2,0,0]=4 93 B7R1.1 O=CC1=CNC=N1 PHBB_SC-12121 [2,0,0,0,0,0|2,0,0]=4 94 B7R1.1 O=CC1=CSC=C1 PHBB_SC-06118 [2,0,0,0,0,0|2,0,0]=4 95 B7R1.2 CC1=CC(C)=NN1 PHBB_SC-03307 [2,0,0,0,0,0|0,0,1]=3 96 B7R1.2 CC1=CC(N)=NN1 PHBB_SC-04507 [2,0,0,0,0,0|1,0,0]=3 97 B7R1.2 CC1=CC(N)=NO1 PHBB_NC-02223 [2,0,0,0,0,0|2,0,0]=4 98 B7R1.2 CC1=CC(O)=NO1 PHBB_SC-10793 [2,0,0,0,0,0|1,0,0]=3 99 B7R1.2 CC1=NC(Br)=NN1 PHBB_SC-10509 [2,0,0,0,0,0|2,0,0]=4 100 B7R1.2 CC1=NC(N)=NN1 PHBB_SC-08230 [2,0,0,0,0,0|2,0,0]=4 101 B7R1.2 N1N=C(Cl)N=C1C PHBB_SC-00980 [2,0,0,0,0,0|2,0,0]=4 102 B7R1.2 NC1=CC(O)=NO1 PHBB_SC-10897 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.22 CC1=CC(C=O)=C(C)N1 PHBB_SC-03862 [1,1,0,0,0,0|1,0,0]=3 104 B9R1.11 COC(=O)C1=CC=NN1 PHBB_SC-04407 [1,1,0,0,0,0|0,0,2]=4 105 B9R1.11 COC(=O)C1=NNC=C1 PHBB_SC-07678 [1,1,0,0,0,0|0,0,0]=2 106 B9R1.41 CC1=C(C(=O)O)C=NN1 PHBB_SC-04643 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.41 CC1=NNN=C1C(=O)O PHBB_SC-07341 [1,1,0,0,0,0|1,0,0]=3 108 B9R1.41 CC1=NON=C1C(=O)O PHBB_SC-07637 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.41 CN1N=CC=C1C(=O)O PHBB_SC-04405 [1,1,0,0,0,0|0,0,2]=4 110 B9R1.41 NC1=NON=C1C(=O)O PHBB_SC-04573 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.41 O=C(O)C1=C(Br)C=NN1 PHBB_SC-05910 [1,1,0,0,0,0|0,0,2]=4 112 B9R1.41 O=C(O)C1=C(Cl)C=NN1 PHBB_SC-05751 [1,1,0,0,0,0|0,0,2]=4 113 B9R1.41 O=C(O)C1=C(I)C=NN1 PHBB_SC-10020 [1,1,0,0,0,0|0,0,2]=4 114 B9R1.41 O=C(O)C1=NNC=C1Br PHBB_SC-02643 [1,1,0,0,0,0|0,0,0]=2 115 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 PHBB_SC-08405 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.3 COC1=CC=C(C(=O)O)C=N1 PHBB_SC-03675 [0,1,0,0,0,1|1,0,1]=4 117 B11R1.3 O=C(O)C1=CC=C(CBr)C=C1 PHBB_SC-04085 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 PHBB_SC-04420 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.21 CC1=CN=C(C(=O)O)C=[N+]1[O-] PHBB_SC-01874 [0,1,0,0,0,1|1,0,0]=3 120 B11R1.21 CN1N=C(C(=O)O)C=CC1=O PHBB_SC-03739 [0,1,0,0,0,1|1,0,0]=3 121 B11R1.166 CC1=CC=C(C(=O)O)C(=O)N1 PHBB_SC-10418 [0,1,0,0,0,1|1,0,0]=3 122 B11R1.166 NC1=NC=C(C(=O)O)C(=O)N1 PHBB_NC-02145 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.39 COC(=O)CC1=NNC(N)=N1 PHBB_SC-06440 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.74 CC1=CC(C(=O)O)=CC(=O)N1 PHBB_SC-09645 [0,1,0,0,0,1|1,0,0]=3 125 B11R1.74 CC1=NC(O)=NC(C(=O)O)=C1 PHBB_SC-10414 [0,1,0,0,0,1|0,0,1]=3 126 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 PHBB_NC-01968 [0,1,0,0,0,1|1,0,1]=4 127 B11R1.74 O=C1C=C(C(=O)O)NC(=O)N1 PHBB_NC-03449 [0,1,0,0,0,1|1,0,1]=4 128 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O PHBB_SC-03513 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.266 COC1=NC=CC(C(=O)O)=C1 PHBB_SC-03677 [0,1,0,0,0,1|1,0,1]=4 130 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 PHBB_SC-02637 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.15 CCOC(=O)C1=CC(C)=NN1 PHBB_SC-02572 [0,2,0,0,0,0|0,0,2]=4 132 B11R1.15 CCOC(=O)C1=CC(C)=NO1 PHBB_SC-09465 [0,2,0,0,0,0|1,0,1]=4 133 B11R1.15 CCOC(=O)C1=NOC(C)=C1 PHBB_SC-09403 [0,2,0,0,0,0|1,0,0]=3 134 B11R1.44 COC(=O)C1=CC(CCl)=CS1 PHBB_SC-02838 [0,2,0,0,0,0|2,0,0]=4 135 B11R1.225 COC(=O)C1=C(N)SC(C)=C1 PHBB_SC-07373 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.225 COC(=O)C1=CC(C)=NN1C PHBB_SC-10872 [0,2,0,0,0,0|0,0,2]=4 137 B11R1.226 COC(=O)C1=NN(C)C(Br)=N1 PHBB_SC-11345 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.226 COC(=O)C1=NN(C)C(Cl)=N1 PHBB_SC-11844 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.865 COC(=O)C1=C(Br)C(C)=NN1 PHBB_SC-05797 [0,2,0,0,0,0|0,0,2]=4 140 B11R1.865 COC(=O)C1=C(Cl)C(C)=NN1 PHBB_SC-11911 [0,2,0,0,0,0|0,0,2]=4 141 B11R1.865 COC(=O)C1=C(I)C(C)=NN1 PHBB_SC-11912 [0,2,0,0,0,0|0,0,2]=4 142 B11R1.48 CC1=CC([N+](=O)[O-])=NN1CCl PHBB_SC-04410 [0,2,0,0,0,0|1,0,1]=4 143 B11R1.48 CC1=CC([N+](=O)[O-])=NN1CO PHBB_SC-02812 [0,2,0,0,0,0|1,0,1]=4 144 B11R1.48 CCN1N=C(C(=O)O)C=C1C PHBB_SC-07338 [0,2,0,0,0,0|0,0,0]=2 145 B11R1.48 COC1=NC(C(=O)O)=NN1C PHBB_SC-12200 [0,2,0,0,0,0|1,0,0]=3 146 B11R1.124 CCCC1=NNC(C(=O)O)=C1 PHBB_SC-10243 [0,2,0,0,0,0|0,0,2]=4 147 B11R1.175 CC(C)C1=NNC(C(=O)O)=C1 PHBB_SC-10415 [0,2,0,0,0,0|0,0,2]=4 148 B11R1.473 CCC1=NNC(C(=O)O)=C1Br PHBB_SC-11690 [0,2,0,0,0,0|0,0,2]=4 149 B11R1.49 CCN1N=C(C)C=C1C(=O)O PHBB_SC-02650 [0,2,0,0,0,0|0,0,2]=4 150 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Br PHBB_SC-06190 [0,2,0,0,0,0|0,0,2]=4 151 B11R1.673 CC1=NN(C)C(C(=O)O)=C1Cl PHBB_SC-10014 [0,2,0,0,0,0|0,0,2]=4 152 B9R1.6 O=C(O)C1=CN=CC=N1 PHBB_SC-03976 [0,0,1,1,0,0|2,0,0]=4 153 B9R1.13 O=C(O)CC1=CSC=C1 PHBB_SC-11270 [1,0,0,0,0,1|2,0,0]=4 154 B9R1.13 O=C(O)CN1C=CC=N1 PHBB_SC-07786 [1,0,0,0,0,1|2,0,0]=4 155 B11R1.75 O=C(O)\C=C/C1=NNC(Br)=N1 PHBB_SC-10561 [0,0,0,0,0,2|2,0,0]=4 156 B11R1.75 O=C(O)\C=C/C1=NNC(O)=N1 PHBB_SC-10638 [0,0,0,0,0,2|2,0,0]=4