0 B11R1.266 C(#N)C1=NC=CC(=C1)C(=O)O BCP18492 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.266 COc1cccc(c1)B(O)O BCP03523 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.266 O=Cc1cccc(c1)C(=O)O BCP18649 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.266 OB(C1=CC=CC(CN)=C1)O BCP15091 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.113 C1=C(C=CC=C1Br)B(O)O BCP22684 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.113 C1=C(N=CC=C1B(O)O)C BCP05471 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.113 CC(C1=CC(C)=NC=C1)=O BCP19218 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.113 ClC1=CC(C(Cl)=O)=NC=C1 BCP15510 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.113 FC1=CC(B(O)O)=CC=C1 BCP13763 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.113 Fc1nccc(c1)C(=O)O BCP10414 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.113 N=C(C1=CC(Cl)=CC=C1)N BCP17079 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.113 N=C(N)C1=CC=CC(F)=C1 BCP17080 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.113 NC(C1=CC(Cl)=CC=N1)=O BCP11594 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.113 O=C(C)C1=NC(C)=CC=C1 BCP06451 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.113 O=C(C)C1=NC=CC(Cl)=C1 BCP06614 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.113 O=C(C1=CC(Cl)=NC=C1)N BCP07880 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.113 O=C(C1=CC(N)=NC=C1)O BCP00191 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 BCP06806 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.113 O=C1NN=CC(=C1)C(=O)O BCP03769 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.113 O=[N+](C1=CC(F)=CC=C1)[O-] BCP16131 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.113 O=[N+]([O-])C1=CC(Br)=CC=C1 BCP18660 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.113 OC(C1=NC=NC(O)=C1)=O BCP06262 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.113 Oc1cccc(c1)B(O)O BCP03518 [1,0,0,0,0,0|1,0,1]=3 23 B10R1.172 CNC1=NC(OC)=CC=C1 BCP20247 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.172 COC1=CC(CCl)=CC=C1 BCP18627 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.172 COC1=CC(SC)=CC=C1 BCP17523 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.172 COC1=CC=NC(OC)=C1 BCP10991 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.172 COC1=NC=CC(=N1)C=O BCP10050 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.172 NCC1=CC=CC(OC)=C1 BCP11237 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.172 O=CC1=CC=CC(CC)=C1 BCP06175 [1,0,0,0,0,0|1,0,0]=2 30 B12R1.11 BrC1=CC([N+]([O-])=O)=CC(OC)=C1 BCP20490 [0,1,0,0,0,0|1,0,1]=3 31 B12R1.56 C1=CC(=C(C=C1C(=O)O)C#N)O BCP28268 [0,1,0,0,0,0|2,0,0]=3 32 B12R1.56 NC1=CC=C(C(O)=O)C=C1OC BCP01505 [0,1,0,0,0,0|0,0,0]=1 33 B12R1.56 O=[N+](C1=CC=C(F)C(OC)=C1)[O-] BCP05879 [0,1,0,0,0,0|1,0,1]=3 34 B12R1.56 OC1=C(C=O)C=C(C(O)=O)C=C1 BCP05672 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.56 OC1=C(OC)C=C([N+]([O-])=O)C=C1 BCP17330 [0,1,0,0,0,0|1,0,1]=3 36 B12R1.258 O=C(O)C1=CC=CC([N+]([O-])=O)=C1 BCP08709 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.435 C(#N)C1=NC=CC(=C1)C(=O)OC BCP09229 [0,1,0,0,0,0|3,0,0]=4 38 B12R1.435 COC(=O)C1=CC=NC(CO)=C1 BCP15559 [0,1,0,0,0,0|3,0,0]=4 39 B12R1.435 COC(C1=CC(CBr)=CC=C1)=O BCP05944 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.435 O=C(C1=CC(CN)=NC=C1)OC BCP16995 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.435 O=C(C1=CC(CN)=NC=C1)OC BCP19272 [0,1,0,0,0,0|3,0,0]=4 42 B12R1.435 O=C(C1=NC=CC(OC)=C1)OC BCP09360 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.435 O=C(OC)C1=CC=CC(C=O)=C1 BCP16016 [0,1,0,0,0,0|2,0,0]=3 44 B12R1.435 O=C(OC)C1=CC=NC(C=O)=C1 BCP15433 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.440 COC1=CC=CC([N+]([O-])=O)=C1C BCP14658 [0,1,0,0,0,0|1,0,1]=3 46 B12R1.440 NC1=C(OC)C=CC=C1C(O)=O BCP06185 [0,1,0,0,0,0|0,0,0]=1 47 B12R1.440 O=C(O)C1=CC=CC(OC)=C1C BCP19993 [0,1,0,0,0,0|0,0,0]=1 48 B12R1.440 O=C(O)C1=CC=NC(OC)=C1N BCP05762 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.453 COC1=NC=C(Cl)C(B(O)O)=C1 BCP17908 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.453 COc1ccc(c(c1)C(=O)N)N BCP12915 [0,1,0,0,0,0|1,0,0]=2 51 B12R1.453 FC1=C(B(O)O)C=C(OC)C=C1 BCP15315 [0,1,0,0,0,0|1,0,1]=3 52 B12R1.453 NC1=CN=C(OC)C=C1C(O)=O BCP15573 [0,1,0,0,0,0|1,0,0]=2 53 B12R1.453 O=C(O)C1=CC(OC)=CC=C1N BCP10331 [0,1,0,0,0,0|0,0,0]=1 54 B12R1.453 OB(O)C1=CC(OC)=NC=C1F BCP14408 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.2 COC1=CC=NC(Cl)=C1 BCP09377 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.2 COC1=NC=CC(I)=C1 BCP10195 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.2 COC1=NC=CC(N)=C1 BCP05654 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.2 O=C1C=C(OC)C=NN1 BCP20543 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.2 O=CC1=CC=CC(N)=N1 BCP14417 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.2 O=CC1=NC(Br)=CC=C1 BCP14423 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.2 OC1=CC=CC(C#C)=C1 BCP07104 [2,0,0,0,0,0|1,0,1]=4 62 B9R1.2 OCC1=CC(C)=CN=C1 BCP16511 [2,0,0,0,0,0|1,0,1]=4 63 B9R1.6 NC(C1=CC=CN=C1)=O BCP07322 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.6 O=C(O)C1=CN=CC=C1 BCP16301 [2,0,0,0,0,0|1,0,0]=3 65 B11R1.21 CC(C1=CC=C(Br)C(Cl)=C1)=O BCP01685 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.21 CC(C1=CC=C(F)C(N)=C1)=O BCP10115 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.21 NC(C1=CC(N)=C(C)C=C1)=O BCP14925 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.21 O=C(Cl)C1=CC(I)=C(C)C=C1 BCP07666 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.21 O=C(O)C1=CC=C(C)C(I)=C1 BCP15174 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.21 O=[N+]([O-])C1=CC(O)=C(O)C=C1 BCP19576 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.21 OC(C1=CC(N)=C(Br)C=C1)=O BCP05730 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.21 OC(C1=CC=C(I)C(O)=C1)=O BCP09356 [1,1,0,0,0,0|0,0,0]=2 73 B11R1.23 C1=C(Cl)C=CN=C1C(OC)=O BCP12653 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.23 N#CC(C1=CC(C)=CC=C1)=O BCP06462 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.23 O=C(C1=NC=CC(C)=C1)OC BCP16377 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.23 OC(CN)C1=CC=CC(O)=C1 BCP07813 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.74 ClC1=CC(=CC(=N1)C(=O)O)C BCP07577 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.74 O=C(C1=CC(Cl)=NC(C)=C1)O BCP11279 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.155 O=S(C1=CC(C)=NC=C1)(O)=O BCP20117 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.159 CC1=C(Br)C=CC=C1C(O)=O BCP15096 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.159 ClC1=C(C=CC=C1N)C(O)=O BCP11482 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.159 FC1=C(Br)C=CC=C1C(O)=O BCP06895 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.159 NC1=C(Br)C=CC=C1C(O)=O BCP19780 [1,1,0,0,0,0|1,0,0]=3 84 B11R1.159 O=C(N)C1=C(N)C(N)=CC=C1 BCP15225 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1I BCP20542 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.159 O=C(O)C1=CC=CC(N)=C1F BCP01533 [1,1,0,0,0,0|1,0,0]=3 87 B11R1.159 OC(C1=CC=CC(N)=C1Br)=O BCP14102 [1,1,0,0,0,0|1,0,0]=3 88 B11R1.159 OC1=C(N)C=CC=C1C(C)=O BCP10837 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.167 BrC=1C=CC(=CC1C(O)=O)F BCP14905 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.167 Brc1cnc(c(c1)C(=O)O)F BCP11547 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.167 CC(C1=C(C=CC(F)=C1)I)=O BCP07101 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.167 CC1=C(C(O)=O)C=C(Br)C=C1 BCP08460 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.167 CC1=C(C(O)=O)C=C(I)C=C1 BCP08718 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.167 CC1=CC=C(F)C=C1C(O)=O BCP15139 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.167 CC1=NC=C(C(=N1)C(=O)O)Br BCP12234 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.167 ClC=1C=CC(=CC1C(O)=O)Br BCP07097 [1,1,0,0,0,0|1,0,0]=3 97 B11R1.167 FC1=CC=C(I)C=C1C(O)=O BCP14014 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.167 O=C(C1=CC(Cl)=CN=C1N)O BCP11520 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.167 O=C(C1=CC(I)=CN=C1N)O BCP11517 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.167 O=C(C1=NC(Cl)=CC=C1Br)O BCP10166 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.167 O=C(O)C1=C(Br)C=NC(Cl)=C1 BCP09378 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.167 O=C(O)C1=C(Cl)N=CC(C)=C1 BCP16113 [1,1,0,0,0,0|1,0,0]=3 103 B11R1.167 O=C(O)C1=CC(F)=CC=C1N BCP16119 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.167 OC=1C=CC(=CC1C(O)=O)N BCP05326 [1,1,0,0,0,0|1,0,0]=3 105 B11R1.280 FC1=CC=C(C=O)C=C1OC BCP09723 [1,1,0,0,0,0|0,0,0]=2 106 B11R1.280 OC1=C(OC)C=C(CC)C=C1 BCP19091 [1,1,0,0,0,0|1,0,1]=4 107 B13R1.314 O=C(OC)C1=CC(C#N)=CC(Br)=C1 BCP20597 [0,2,0,0,0,0|2,0,0]=4 108 B13R1.13 CC1=C(C=C(C=C1)C(O)=O)B(O)O BCP13675 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.13 O=C(O)C1=CC([N+]([O-])=O)=CC=C1N BCP19327 [0,2,0,0,0,0|2,0,0]=4 110 B13R1.49 COC(=O)c1ccc(C)c(c1)C#C BCP16983 [0,2,0,0,0,0|1,0,1]=4 111 B13R1.49 O=C(OC)C1=CC(OC)=C(N)C=C1 BCP04117 [0,2,0,0,0,0|0,0,0]=2 112 B13R1.49 O=C(OC)C1=CC=C(F)C(C=O)=C1 BCP14106 [0,2,0,0,0,0|2,0,0]=4 113 B13R1.50 NC1=CC=C(S(=O)(C)=O)C=C1OC BCP20504 [0,2,0,0,0,0|1,0,1]=4 114 B13R1.543 COC(=O)C1=CC(=CC=N1)C(O)=O BCP15432 [0,2,0,0,0,0|1,0,0]=3 115 B13R1.543 O=C(C1=NC=CC(C(OC)=O)=C1)O BCP15406 [0,2,0,0,0,0|1,0,0]=3 116 B13R1.3801 O=C(O)C1=CC=CC([N+]([O-])=O)=C1Cl BCP06453 [0,2,0,0,0,0|2,0,0]=4 117 B13R1.82 O=C(OC)C1=CC=NC(OC)=C1N BCP05777 [0,2,0,0,0,0|1,0,0]=3 118 B11R1.36 C=C(C(O)=O)C1=CC=CC=C1 BCP01226 [0,0,1,1,0,0|1,0,1]=4 119 B11R2.190 C=CC1=CC=C2CCC2=C1 BCP20396 [1,0,0,1,0,0|2,0,0]=4 120 B13R2.2121 BrC=1SC2=CC(=CC=C2N1)OC BCP19004 [0,0,0,1,0,1|2,0,0]=4 121 B13R2.2121 COC1=CC=2NC(NC2C=C1)=S BCP04509 [0,0,0,1,0,1|1,1,0]=4 122 B13R2.430 O=C(C)C1=CC=C2OCCC2=C1 BCP14201 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.430 OC(=O)c1ccc2ccoc2c1 BCP16992 [0,1,0,1,0,0|0,0,1]=3 124 B13R2.5569 O=C(O)C1=C2CCOC2=CC=C1 BCP15796 [0,1,0,1,0,0|0,0,0]=2 125 B13R2.5569 OC(=O)C1=CC=CC2=C1C=CO2 BCP15797 [0,1,0,1,0,0|0,0,1]=3 126 B9R1.35 Cc1ncc(s1)C(=O)O BCP05391 [1,0,0,0,1,0|2,0,0]=4 127 B9R1.35 O=C(C1=CC=C(C)S1)O BCP05923 [1,0,0,0,1,0|1,0,0]=3 128 B9R1.35 O=C(C1=CC=C(F)S1)O BCP06836 [1,0,0,0,1,0|2,0,0]=4 129 B9R1.35 O=C(O)C1=CC(O)=NO1 BCP08277 [1,0,0,0,1,0|2,0,0]=4 130 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BCP05839 [1,0,0,0,1,0|2,0,0]=4 131 B9R1.41 BrC1=CSC=C1C(O)=O BCP07136 [1,0,0,0,1,0|2,0,0]=4 132 B9R1.41 CN1C(C(O)=O)=CN=C1 BCP15504 [1,0,0,0,1,0|2,0,0]=4 133 B9R1.41 O=C(O)C1=C(Br)SC=C1 BCP08081 [1,0,0,0,1,0|2,0,0]=4 134 B11R1.157 O=C(O)CC1=CC=CC(C)=N1 BCP08714 [1,0,0,0,0,1|1,0,0]=3 135 B11R1.3 CC(C1=CC=C(SC)C=C1)=O BCP20233 [0,0,0,0,1,1|1,1,0]=4 136 B11R1.3 O=C(O)C1=CN=C(NC)N=C1 BCP20853 [0,0,0,0,1,1|2,0,0]=4 137 B11R1.3 O=C(O)C1=NC=C(C#N)C=C1 BCP08290 [0,0,0,0,1,1|2,0,0]=4 138 B11R1.3 OB(C1=CC=C(OC)C=C1)O BCP03522 [0,0,0,0,1,1|1,0,1]=4 139 B11R1.3 OB(O)C1=CC=C(OC)N=C1 BCP07170 [0,0,0,0,1,1|1,0,1]=4 140 B11R1.3 OC(C1=CC=C(C#C)C=C1)=O BCP20454 [0,0,0,0,1,1|1,0,1]=4