0 B9R1.6 N=C(N)C1=NC=CC=N1 BCP08838 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.6 NC(C1=CC=CN=C1)=O BCP07322 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 N[C](C)C1=CC=CC=C1 BCP13697 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 O=C(O)C1=CN=CC=C1 BCP16301 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.6 O[C](C)C1=NC=CC=C1 BCP18401 [0,0,0,0,0,0|1,0,2]=3 5 B8R1.2 C=CC1=CC=CN=C1 BCP12214 [1,0,0,0,0,0|1,0,1]=3 6 B8R1.2 NCC1=CC=CN=C1 BCP13872 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.2 OCC1=CC=CN=C1 BCP20084 [1,0,0,0,0,0|1,0,2]=4 8 B10R1.13 BrC1=CN=C(C=N1)C(=O)O BCP04439 [0,1,0,0,0,0|1,0,0]=2 9 B10R1.13 CC(C1=NC=C(Br)C=N1)=O BCP20538 [0,1,0,0,0,0|2,0,0]=3 10 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] BCP10982 [0,1,0,0,0,0|3,0,0]=4 11 B10R1.13 ClC1=CC=C(N=C1)C(=O)O BCP05118 [0,1,0,0,0,0|2,0,0]=3 12 B10R1.13 NC1=NC=C(C=C1)C(C)C BCP00188 [0,1,0,0,0,0|2,0,1]=4 13 B10R1.13 O=C(C)C1=CC=C(Cl)N=C1 BCP13928 [0,1,0,0,0,0|1,0,0]=2 14 B10R1.13 O=C(C1=NC=C(C)N=C1)O BCP04707 [0,1,0,0,0,0|1,0,0]=2 15 B10R1.13 O=C(O)C1=CN=C(O)N=C1 BCP11778 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.13 O=[N+](C1=NC=C(F)C=C1)[O-] BCP10979 [0,1,0,0,0,0|3,0,0]=4 17 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=N1 BCP09359 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.15 OC(CN)C1=CC=CN=C1 BCP11465 [0,1,0,0,0,0|1,0,2]=4 19 B10R1.28 N1=CC(=CC=C1)[S](=O)(=O)Cl BCP11100 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.28 O=S(C1=CC=CC=N1)(Cl)=O BCP17138 [0,1,0,0,0,0|3,0,0]=4 21 B10R1.28 O=S(C1=CC=CN=C1)(Cl)=O BCP12293 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.61 CC(=O)c1cccnc1Cl BCP10419 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.61 CC(C1=C(O)C=NC=C1)=O BCP28934 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.61 ClC1=C(C(N)=O)C=NC=C1 BCP06914 [0,1,0,0,0,0|2,0,0]=3 25 B10R1.61 FC1=C(C(C)O)N=CC=C1 BCP06886 [0,1,0,0,0,0|1,0,2]=4 26 B10R1.61 IC1=NC=CN=C1C(=O)O BCP04704 [0,1,0,0,0,0|1,0,0]=2 27 B10R1.61 O=C(C1=NC=CNC1=O)O BCP03022 [0,1,0,0,0,0|1,0,1]=3 28 B10R1.61 O=C(O)C1=C(C)N=CN=C1 BCP06023 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.61 O=C(O)C=1C=NC=CC1Br BCP05403 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.61 O=C1C(C(C)=O)=CC=CN1 BCP28633 [0,1,0,0,0,0|1,0,1]=3 31 B10R1.61 O=[N+](C1=CC=CN=C1C)[O-] BCP12892 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.61 O=[N+](C1=CC=CN=C1Cl)[O-] BCP11394 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.61 OC1=C(C(N)=O)N=CC=N1 BCP03021 [0,1,0,0,0,0|1,0,0]=2 34 B10R1.61 OC1=C(C(O)=O)C=CC=C1 BCP09067 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.113 CC(C1=CC(C)=NC=C1)=O BCP19218 [0,1,0,0,0,0|3,0,0]=4 36 B10R1.113 ClC1=CC(C(Cl)=O)=NC=C1 BCP15510 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.113 NC(C1=CC(Cl)=CC=N1)=O BCP11594 [0,1,0,0,0,0|2,0,0]=3 38 B10R1.113 O=C(C)C1=NC(C)=CC=C1 BCP06451 [0,1,0,0,0,0|1,0,0]=2 39 B10R1.113 O=C(C)C1=NC=CC(Cl)=C1 BCP06614 [0,1,0,0,0,0|1,0,0]=2 40 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 BCP06806 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.113 O=C1NN=CC(=C1)C(=O)O BCP03769 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.113 OC(C1=NC=NC(O)=C1)=O BCP06262 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.113 [O-][N+](C1=NC=CC(Cl)=C1)=O BCP10977 [0,1,0,0,0,0|3,0,0]=4 44 B8R1.7 C1=C(C(=O)O)C=NO1 BCP10174 [0,0,0,0,1,0|2,0,0]=3 45 B8R1.7 CC(=O)C1=CNN=C1 BCP18458 [0,0,0,0,1,0|1,0,0]=2 46 B8R1.7 CC(C1=NCCS1)=O BCP17112 [0,0,0,0,1,0|1,0,2]=4 47 B8R1.7 N=C(N1C=CC=N1)N BCP06425 [0,0,0,0,1,0|3,0,0]=4 48 B8R1.7 N=C(N1C=NC=N1)N BCP11845 [0,0,0,0,1,0|3,0,0]=4 49 B8R1.7 O=C(C1=CC=CS1)O BCP15028 [0,0,0,0,1,0|2,0,0]=3 50 B8R1.7 O=C(C1=CNC=C1)O BCP08157 [0,0,0,0,1,0|1,0,1]=3 51 B8R1.7 O=C(Cl)C1=CC=CO1 BCP14910 [0,0,0,0,1,0|2,0,0]=3 52 B8R1.7 O=[N+]([O-])C1=NNC=C1 BCP10030 [0,0,0,0,1,0|3,0,0]=4 53 B8R1.7 OC(=O)c1c[nH]nc1 BCP06636 [0,0,0,0,1,0|2,0,0]=3 54 B8R1.7 OC(=O)c1cc[nH]n1 BCP11490 [0,0,0,0,1,0|2,0,0]=3 55 B8R1.7 OC(C1=CNC=N1)=O BCP05792 [0,0,0,0,1,0|1,0,1]=3 56 B10R1.18 C1=NC=CC=C1CC(O)=O BCP20278 [0,0,0,0,0,1|2,0,0]=3 57 B10R1.18 CC(=O)Cc1ccncc1 BCP13413 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.18 CC(NC1=CC=CC=C1)=O BCP02363 [0,0,0,0,0,1|2,0,0]=3 59 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [0,0,0,0,0,1|3,0,0]=4 60 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BCP14449 [0,0,0,0,0,1|3,0,0]=4 61 B7R1.3 CC1=CC=CC=C1 BCP16202 [2,0,0,0,0,0|2,0,0]=4 62 B7R1.3 FC1=CN=CC=N1 BCP03206 [2,0,0,0,0,0|1,0,0]=3 63 B7R1.3 NC1=NC=CN=C1 BCP13854 [2,0,0,0,0,0|1,0,0]=3 64 B7R1.3 NC1=NC=CN=N1 BCP17595 [2,0,0,0,0,0|2,0,0]=4 65 B7R1.3 O=C1C=CC=NN1 BCP04620 [2,0,0,0,0,0|2,0,0]=4 66 B7R1.3 O=C1C=CNC=N1 BCP13987 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.1 CC1=CC=C(C=N1)C=O BCP04829 [1,1,0,0,0,0|1,0,0]=3 68 B9R1.1 COC1=CN=C(Br)C=C1 BCP04838 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.1 CSC1=CN=C(Br)C=N1 BCP07668 [1,1,0,0,0,0|1,0,0]=3 70 B9R1.1 NCC1=NC=C(C)N=C1 BCP14024 [1,1,0,0,0,0|1,0,1]=4 71 B9R1.1 O=CC1=CC=C(I)C=C1 BCP05912 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.1 O=CC1=CN=C(C)N=C1 BCP03539 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.1 O=CC1=CN=C(C=C1)Br BCP04709 [1,1,0,0,0,0|1,0,0]=3 74 B9R1.1 O=CC1=CN=C(Cl)N=C1 BCP25163 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.1 O=CC1=NC=C(Br)C=C1 BCP14421 [1,1,0,0,0,0|1,0,0]=3 76 B9R1.1 O=CC1=NC=C(F)C=C1 BCP10413 [1,1,0,0,0,0|1,0,0]=3 77 B9R1.2 CNC1=CC=CC(Cl)=N1 BCP10999 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.2 COC1=NC=CC(I)=C1 BCP10195 [1,1,0,0,0,0|2,0,0]=4 79 B9R1.2 COC1=NC=CC(N)=C1 BCP05654 [1,1,0,0,0,0|2,0,0]=4 80 B9R1.2 NC1=NC(=CN=C1)OC BCP09100 [1,1,0,0,0,0|1,0,0]=3 81 B9R1.2 O=CC1=CC=CC(N)=N1 BCP14417 [1,1,0,0,0,0|1,0,0]=3 82 B9R1.2 O=CC1=NC(Br)=CC=C1 BCP14423 [1,1,0,0,0,0|1,0,0]=3 83 B9R1.8 BrCCC1=CC=CN=C1 BCP07727 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.15 ClC1=C(C=O)C=CC=N1 BCP08292 [1,1,0,0,0,0|1,0,0]=3 85 B9R1.15 IC1=C(C=O)C=CC=C1 BCP07495 [1,1,0,0,0,0|2,0,0]=4 86 B9R1.15 NC1=C(C=O)C=CC=C1 BCP07330 [1,1,0,0,0,0|2,0,0]=4 87 B9R1.15 NC1=NC=CC=C1CC BCP11445 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.15 NC1=NC=CC=C1OC BCP12904 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.15 NCc1nccnc1Cl BCP20593 [1,1,0,0,0,0|1,0,1]=4 90 B9R1.11 CNC(=O)c1cn[nH]c1 BCP28948 [0,1,0,0,1,0|1,0,0]=3 91 B9R1.11 O=C(C1=CNC=C1)OC BCP08156 [0,1,0,0,1,0|0,0,1]=3 92 B9R1.11 O=C(CBr)C1=NC=CS1 BCP07589 [0,1,0,0,1,0|1,0,0]=3 93 B9R1.35 Cc1ncc(s1)C(=O)O BCP05391 [0,1,0,0,1,0|2,0,0]=4 94 B9R1.35 O=C(C1=CC=C(C)S1)O BCP05923 [0,1,0,0,1,0|2,0,0]=4 95 B9R1.35 O=C(C1=CC=C(F)S1)O BCP06836 [0,1,0,0,1,0|2,0,0]=4 96 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 BCP11850 [0,1,0,0,1,0|2,0,0]=4 97 B9R1.35 O=C(O)C1=CC(O)=NO1 BCP08277 [0,1,0,0,1,0|2,0,0]=4 98 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BCP05839 [0,1,0,0,1,0|2,0,0]=4 99 B9R1.35 O=C(O)C1=NC(Br)=CS1 BCP11583 [0,1,0,0,1,0|2,0,0]=4 100 B9R1.41 BrC1=CSC=C1C(O)=O BCP07136 [0,1,0,0,1,0|2,0,0]=4 101 B9R1.41 CN1C(C(Cl)=O)=CN=C1 BCP13036 [0,1,0,0,1,0|1,0,1]=4 102 B9R1.41 CN1C(C(O)=O)=CN=C1 BCP15504 [0,1,0,0,1,0|1,0,1]=4 103 B9R1.41 O=C(N)C1=CC=CN1N BCP13936 [0,1,0,0,1,0|1,0,1]=4 104 B9R1.41 O=C(O)C1=C(Br)SC=C1 BCP08081 [0,1,0,0,1,0|2,0,0]=4 105 B11R1.20 CC(NC1=CC=C(O)C=C1)=O BCP23431 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 BCP18597 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 BCP12969 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.157 O=C(O)CC1=CC=CC(C)=N1 BCP08714 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O BCP08093 [0,2,0,0,0,0|2,0,0]=4 110 B11R1.3 CC(C1=CC=C(SC)C=C1)=O BCP20233 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.3 O=C(O)C1=NC=C(C#N)C=C1 BCP08290 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.21 CC(C1=CC=C(Br)C(Cl)=C1)=O BCP01685 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.21 CC(C1=CC=C(F)C(N)=C1)=O BCP10115 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.21 OC(C1=C[N+]([O-])=C(C)C=N1)=O BCP28412 [0,2,0,0,0,0|1,0,1]=4 115 B11R1.22 BrC1=CC=C(C(CN)=O)C=C1 BCP24959 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.166 Brc1ccc(c(c1)O)C(=O)C BCP18244 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.166 ClC1=C(C(O)=O)C=CC(Cl)=N1 BCP08665 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.166 ClC1=NC(Cl)=CC=C1C(C)=O BCP09337 [0,2,0,0,0,0|1,0,0]=3 119 B11R1.166 O=C(C1=CC=C(C)N=C1Cl)O BCP09379 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.166 O=C(C1=CN=C(N)C=C1C)O BCP10477 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.166 O=C(O)C1=C(C)N=C(Cl)C=C1 BCP14859 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.166 OC1=C(C(O)=O)C=NC(C)=C1 BCP17538 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.16 O=C(CNC)C1=CC=CC=C1 BCP11464 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.23 C1=C(Cl)C=CN=C1C(OC)=O BCP12653 [0,2,0,0,0,0|1,0,0]=3 125 B11R1.23 ClC1=CC(C(NC)=O)=NC=C1 BCP04087 [0,2,0,0,0,0|1,0,0]=3 126 B11R1.23 ClC1=CC(C(NC)=O)=NC=C1 BCP10788 [0,2,0,0,0,0|1,0,0]=3 127 B11R1.23 O=C(C1=NC=CC(C)=C1)OC BCP16377 [0,2,0,0,0,0|1,0,0]=3 128 B11R1.23 O=C(NN)C1=CC(Cl)=CC=N1 BCP12587 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.222 CCC(C1=CC=CC=C1Cl)=O BCP07782 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.222 ClC1=NC=CN=C1C(=O)OC BCP03040 [0,2,0,0,0,0|0,0,0]=2 131 B11R1.222 O=C(C1=NC=CN=C1Br)OC BCP03415 [0,2,0,0,0,0|0,0,0]=2 132 B11R1.222 O=C(NC)C1=CC=CC=C1S BCP11862 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.222 O=C(OC)C1=C(Br)N=CC=C1 BCP12646 [0,2,0,0,0,0|1,0,0]=3 134 B11R1.222 O=C(OC)C1=CC=CN=C1N BCP11523 [0,2,0,0,0,0|1,0,0]=3 135 B11R1.159 OC1=C(N)C=CC=C1C(C)=O BCP10837 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.167 Brc1cnc(c(c1)C(=O)O)F BCP11547 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.167 CC(C1=C(C=CC(F)=C1)I)=O BCP07101 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.167 O=C(C1=CC(Cl)=CN=C1N)O BCP11520 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.167 O=C(C1=CC(I)=CN=C1N)O BCP11517 [0,2,0,0,0,0|2,0,0]=4 140 B11R1.167 O=C(C1=NC(Cl)=CC=C1Br)O BCP10166 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.167 O=C(N)C1=NC(F)=CNC1=O BCP02422 [0,2,0,0,0,0|1,0,1]=4 142 B11R1.167 O=C(O)C1=C(Cl)N=CC(C)=C1 BCP16113 [0,2,0,0,0,0|2,0,0]=4 143 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1N BCP03892 [0,2,0,0,0,0|1,0,0]=3 144 B11R1.74 ClC1=CC(=CC(=N1)C(=O)O)C BCP07577 [0,2,0,0,0,0|2,0,0]=4 145 B11R2.10 CC=1NC2=C(N1)C=CN=C2 BCP15050 [0,0,0,1,0,1|2,0,0]=4 146 B11R2.10 O=C1OC2=CC=CN=C2N1 BCP10943 [0,0,0,1,0,1|2,0,0]=4 147 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [0,1,0,1,0,0|2,0,0]=4 148 B11R2.1 O=C1COc2c1cccc2 BCP07835 [0,1,0,1,0,0|2,0,0]=4 149 B11R2.1 O=C1OCC2=NC=CC=C21 BCP00602 [0,1,0,1,0,0|1,0,0]=3 150 B7R1.1 CCC1=CC=CN1 BCP04114 [1,0,0,0,1,0|0,0,2]=4 151 B7R1.1 O=CC1=CC=CN1 BCP13856 [1,0,0,0,1,0|0,0,1]=3 152 B7R1.1 O=CC1=CNC=C1 BCP05260 [1,0,0,0,1,0|0,0,1]=3 153 B7R1.1 O=CC1=CNC=N1 BCP04813 [1,0,0,0,1,0|0,0,1]=3 154 B7R1.1 O=CC1=CSC=N1 BCP07009 [1,0,0,0,1,0|1,0,0]=3