0 B12R1.56 C1=CC(=C(C=C1C(=O)O)C#N)O BCP28268 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.56 NC1=CC=C(C(O)=O)C=C1OC BCP01505 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.56 O=[N+](C1=CC=C(F)C(OC)=C1)[O-] BCP05879 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.56 OC1=C(C=O)C=C(C(O)=O)C=C1 BCP05672 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.56 OC1=C(OC)C=C([N+]([O-])=O)C=C1 BCP17330 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.21 CC(C1=CC=C(Br)C(Cl)=C1)=O BCP01685 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.21 CC(C1=CC=C(F)C(N)=C1)=O BCP10115 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.21 NC(C1=CC(N)=C(C)C=C1)=O BCP14925 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.21 O=C(Cl)C1=CC(I)=C(C)C=C1 BCP07666 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.21 O=C(O)C1=CC=C(C)C(I)=C1 BCP15174 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.21 O=[N+]([O-])C1=CC(O)=C(O)C=C1 BCP19576 [1,0,0,0,0,0|1,0,1]=3 11 B11R1.21 OC(C1=CC(N)=C(Br)C=C1)=O BCP05730 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.21 OC(C1=CC=C(I)C(O)=C1)=O BCP09356 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.266 C(#N)C1=NC=CC(=C1)C(=O)O BCP18492 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.266 COc1cccc(c1)B(O)O BCP03523 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.266 O=Cc1cccc(c1)C(=O)O BCP18649 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.280 FC1=CC=C(C=O)C=C1OC BCP09723 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.280 OC1=C(OC)C=C(CC)C=C1 BCP19091 [1,0,0,0,0,0|1,0,1]=3 18 B13R1.13 CC1=C(C=C(C=C1)C(O)=O)B(O)O BCP13675 [0,1,0,0,0,0|3,0,0]=4 19 B13R1.49 COC(=O)c1ccc(C)c(c1)C#C BCP16983 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.49 O=C(CBr)C1=CC(C=O)=C(O)C=C1 BCP17242 [0,1,0,0,0,0|3,0,0]=4 21 B13R1.49 O=C(OC)C1=CC(OC)=C(N)C=C1 BCP04117 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.49 O=C(OC)C1=CC=C(F)C(C=O)=C1 BCP14106 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.50 NC1=CC=C(S(=O)(C)=O)C=C1OC BCP20504 [0,1,0,0,0,0|2,0,1]=4 24 B13R2.430 O=C(C)C1=CC=C2OCCC2=C1 BCP14201 [0,0,0,1,0,0|2,0,0]=3 25 B13R2.430 O=[N+]([O-])C1=CC=C2C(CCO2)=C1 BCP19518 [0,0,0,1,0,0|2,0,1]=4 26 B13R2.430 OC(=O)c1ccc2ccoc2c1 BCP16992 [0,0,0,1,0,0|1,0,1]=3 27 B10R1.13 ClC1=CC=C(N=C1)C(=O)O BCP05118 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.13 O=C(O)C1=CN=C(O)N=C1 BCP11778 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.13 OC(C1=CC=[N+]([O-])C=C1)=O BCP10688 [2,0,0,0,0,0|1,0,1]=4 30 B10R1.13 OC1=CC=C(B(O)O)C=C1 BCP03521 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.13 OC1=CC=C(C(=S)N)C=C1 BCP12826 [2,0,0,0,0,0|1,1,0]=4 32 B10R1.113 CC(C1=CC(C)=NC=C1)=O BCP19218 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.113 Fc1nccc(c1)C(=O)O BCP10414 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.113 O=C(C)C1=NC(C)=CC=C1 BCP06451 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.113 O=C(C1=CC(N)=NC=C1)O BCP00191 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.113 OC(C1=NC=NC(O)=C1)=O BCP06262 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.113 Oc1cccc(c1)B(O)O BCP03518 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.176 ClC1=C(Br)C=CC(C=O)=C1 BCP14717 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BCP00880 [2,0,0,0,0,0|0,0,0]=2 40 B10R1.176 O=Cc1cnc(c(c1)C)Cl BCP08525 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.172 COC1=CC(CCl)=CC=C1 BCP18627 [2,0,0,0,0,0|1,0,1]=4 42 B10R1.172 COC1=CC(SC)=CC=C1 BCP17523 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.172 COC1=NC=CC(=N1)C=O BCP10050 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.172 NCC1=CC=CC(OC)=C1 BCP11237 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.172 O=CC1=CC=CC(CC)=C1 BCP06175 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.30 BrC1=CC=C(N)C=C1OC BCP05908 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.30 ClC=1C=CC(=CC1OC)N BCP15300 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.30 FC=1C=CC(=CC1OC)O BCP10034 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.30 NC1=CC=C(F)C=C1OC BCP11916 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.30 OC=1C=CC(=CC1OC)C BCP19090 [2,0,0,0,0,0|0,0,1]=3 51 B12R1.48 OC(C1=CC=C(C#N)C(F)=C1)=O BCP17417 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.232 O=C(O)C1=C(F)C=C(Br)C(C)=C1 BCP09568 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.232 OC=1C=C(O)C(=CC1C(O)=O)Br BCP11519 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.367 O=C(NO)C1=CC=C(O)C(O)=C1 BCP16846 [1,1,0,0,0,0|0,0,0]=2 55 B12R1.367 O=C(OC)C1=CC(N)=C(N)C=C1 BCP15323 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.367 O=C(OC)C1=CC(N)=C(O)C=C1 BCP21850 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.367 O=C(OC)C1=CC=C(N)C(Br)=C1 BCP05740 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.367 O=C(OC)C1=CC=C(O)C(Br)=C1 BCP10111 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.367 OC(CN)C1=CC=C(O)C(O)=C1 BCP13658 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.367 OC1=C(O)C=CC(C(CN)O)=C1 BCP04226 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.367 OC1=C(O)C=CC(C(CN)O)=C1 BCP04227 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.367 OC1=CC=C([C@@H](O)CN)C=C1O BCP13659 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 BCP15870 [1,1,0,0,0,0|0,0,0]=2 64 B12R1.1005 OC(C1=CC(O)=C(O)C(O)=C1)=O BCP18127 [1,1,0,0,0,0|0,0,0]=2 65 B12R1.11 BrC1=CC([N+]([O-])=O)=CC(OC)=C1 BCP20490 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.258 O=C(O)C1=CC=CC([N+]([O-])=O)=C1 BCP08709 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.435 COC(C1=CC(CBr)=CC=C1)=O BCP05944 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.435 O=C(C1=NC=CC(OC)=C1)OC BCP09360 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.435 O=C(OC)C1=CC=CC(C=O)=C1 BCP16016 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.440 COC1=CC=CC([N+]([O-])=O)=C1C BCP14658 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.440 NC1=C(OC)C=CC=C1C(O)=O BCP06185 [1,1,0,0,0,0|0,0,0]=2 72 B12R1.440 O=C(O)C1=CC=CC(OC)=C1C BCP19993 [1,1,0,0,0,0|0,0,0]=2 73 B12R1.440 O=C(O)C1=CC=NC(OC)=C1N BCP05762 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.453 COc1ccc(c(c1)C(=O)N)N BCP12915 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.453 FC1=C(B(O)O)C=C(OC)C=C1 BCP15315 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.453 NC1=CN=C(OC)C=C1C(O)=O BCP15573 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.453 O=C(O)C1=CC(OC)=CC=C1N BCP10331 [1,1,0,0,0,0|0,0,0]=2 78 B12R1.78 NCC1=CC=C(OC)C(OC)=C1 BCP18641 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.300 O=CC1=CC(OC)=C(O)C(O)=C1 BCP09236 [1,1,0,0,0,0|0,0,0]=2 80 B14R1.706 COC(=O)C1=C(C)C=CC(=C1)C(O)=O BCP13686 [0,2,0,0,0,0|1,0,0]=3 81 B14R1.6035 O=C(O)C=1C(O)=CC(=C(C1)C(O)=O)O BCP11816 [0,2,0,0,0,0|2,0,0]=4 82 B14R1.1864 BrCC(=O)c1ccc(c(c1)OC)OC BCP10190 [0,2,0,0,0,0|1,0,0]=3 83 B14R1.1864 COC1=C(OC)C=CC(C(OC)=O)=C1 BCP05946 [0,2,0,0,0,0|0,0,0]=2 84 B14R1.569 OC(C1=CC(OC)=C(F)C(F)=C1F)=O BCP05152 [0,2,0,0,0,0|1,0,0]=3 85 B14R1.43 COC1=C([N+]([O-])=O)C=CC(C(O)=O)=C1 BCP06468 [0,2,0,0,0,0|0,0,1]=3 86 B12R2.44 NCC1=CC=C2OCOC2=C1 BCP20906 [1,0,0,1,0,0|1,0,1]=4 87 B12R2.44 O=CC=1C=CC2=C(C1)CCO2 BCP18922 [1,0,0,1,0,0|1,0,0]=3 88 B12R2.44 OCC1=CC=C2OCCC2=C1 BCP14015 [1,0,0,1,0,0|1,0,1]=4 89 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 BCP11385 [0,0,0,1,0,1|1,0,0]=3 90 B14R2.966 CCC(C1=CC=C2OCOC2=C1)=O BCP13662 [0,1,0,1,0,0|1,0,0]=3 91 B14R2.601 CC1=NC2=C(S1)C=CC(=C2)C(O)=O BCP09144 [0,1,0,1,0,0|1,1,0]=4 92 B14R1.42 OC1=C(OC)C=C(\C=C\C(O)=O)C=C1 BCP21789 [0,0,0,0,0,2|0,0,0]=2