0 B12R2.1081 FC1=CC=CC2=CC=CC=C12 M14046 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.1081 Ic1cccc2cnccc12 M28581 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.1081 O=C1N=CNC2=CC=CC=C12 M18645 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 M12044 [0,0,0,0,0,0|0,0,0]=0 4 B12R2.1081 Oc1cccc2ccccc12 M26015 [0,0,0,0,0,0|1,0,0]=1 5 B12R2.1081 Oc1cccc2cccnc12 M21133 [0,0,0,0,0,0|0,0,0]=0 6 B12R2.1081 Oc1ccnc2ccccc12 M18890 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.1081 SC1=CC=CC2=C1N=CC=C2 M14645 [0,0,0,0,0,0|0,1,0]=1 8 B11R2.20 c1ccc2ncccc2c1 M19758 [1,0,0,0,0,0|0,0,0]=1 9 B13R2.162 O=C1C=CC2=C(N1)C(O)=CC=C2 M18076 [0,1,0,0,0,0|0,0,1]=2 10 B13R2.328 O=c1cc(O)c2ccccc2o1 M22660 [0,1,0,0,0,0|2,0,0]=3 11 B13R2.328 Oc1cc(O)c2ccccc2c1 M23480 [0,1,0,0,0,0|1,0,0]=2 12 B13R2.342 C[n+]1cccc2c(N)cccc21 M22751 [0,1,0,0,0,0|3,0,0]=4 13 B13R2.342 Nc1cccc2c(O)nccc12 M28409 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.342 O=C1CCCc2c(O)cccc21 M20337 [0,1,0,0,0,0|1,0,2]=4 15 B13R2.342 Oc1cccc2c(Cl)ccnc12 M24564 [0,1,0,0,0,0|0,0,0]=1 16 B13R2.371 O=C1C=CC(=O)c2ccccc21 M17932 [0,1,0,0,0,0|1,0,1]=3 17 B13R2.371 OC1=C2N=CC=CC2=C(Cl)C=C1 M11211 [0,1,0,0,0,0|0,0,0]=1 18 B13R2.1613 C#Cc1cccc2ccccc12 M20721 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.5179 O=c1ccoc2cc(O)ccc12 M20749 [0,1,0,0,0,0|2,0,1]=4 20 B13R2.5179 Oc1cnc2c(O)cccc2c1 M27991 [0,1,0,0,0,0|0,0,0]=1 21 B11R2.1 ClC1=CNC2=C1C=CC=C2 M29561 [0,0,0,0,1,0|3,0,0]=4 22 B10R1.4 C=CCc1ccccc1O M27275 [1,0,1,0,0,0|0,0,1]=3 23 B10R1.4 O\N=C\C1=CC=CC=C1O M24996 [1,0,1,0,0,0|2,0,0]=4 24 B10R1.15 C=CC(O)c1ccccc1 M28378 [1,0,1,0,0,0|1,0,1]=4 25 B10R1.17 O=C\C=C\C1=CC=CC=C1 M17778 [1,0,1,0,0,0|1,0,0]=3 26 B10R1.17 O=C\C=C\C1=CC=CC=C1 M18016 [1,0,1,0,0,0|1,0,0]=3 27 B10R1.17 OC\C=C\C1=CC=CC=C1 M17777 [1,0,1,0,0,0|1,0,1]=4 28 B10R1.61 O=C(O)C1=NC=CC=C1S M24253 [1,0,1,0,0,0|2,0,0]=4 29 B10R1.61 O=C(O)c1ncccc1O M20615 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.121 COc1ccccc1\C=C\C=O M20879 [0,1,1,0,0,0|2,0,0]=4 31 B12R1.125 O=C(O)\C=C\c1ccccc1O M21301 [0,1,1,0,0,0|2,0,0]=4 32 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 M24580 [0,1,1,0,0,0|1,0,0]=3 33 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 M20834 [0,1,1,0,0,0|1,0,0]=3 34 B12R1.261 O=C(O)c1cccnc1C(=O)O M19233 [0,1,1,0,0,0|2,0,0]=4 35 B12R2.24 O=C1C=CC2=CC=CC=C2O1 M16582 [1,1,0,0,0,0|1,0,0]=3 36 B12R2.24 OC1=CC=C2C=CC=CC2=C1 M11424 [1,1,0,0,0,0|1,0,0]=3 37 B12R2.24 Oc1cnc2ccccc2n1 M28967 [1,1,0,0,0,0|1,0,0]=3 38 B12R2.1 OCC1=CNC2=C1C=CC=C2 M15686 [0,1,0,0,1,0|2,0,0]=4 39 B12R2.246 BrC1=CC2=C(C=CN2)C(Br)=C1 M29553 [0,1,0,0,1,0|2,0,0]=4 40 B14R2.4513 O=C1C=CC2=CC=C(O)C(O)=C2O1 M14627 [0,2,0,0,0,0|1,0,0]=3 41 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O M15137 [0,2,0,0,0,0|1,0,1]=4 42 B14R2.7724 O=C1C=C(Cl)C(=O)c2ccccc21 M17749 [0,2,0,0,0,0|1,0,1]=4 43 B14R2.7724 O=C1C=C(O)C(=O)c2ccccc21 M19160 [0,2,0,0,0,0|1,0,1]=4 44 B14R2.7724 OC1=C(Cl)C=C(Cl)C2=C1N=CC=C2 M15923 [0,2,0,0,0,0|0,0,0]=2 45 B14R2.7724 OC1=C2N=CC=CC2=C(Br)C=C1Br M14836 [0,2,0,0,0,0|0,0,0]=2 46 B14R2.7724 OC1=C2N=CC=CC2=C(Cl)C=C1I M11214 [0,2,0,0,0,0|0,0,0]=2 47 B14R2.7724 OC1=C2N=CC=CC2=C(I)C=C1I M16102 [0,2,0,0,0,0|0,0,0]=2 48 B14R2.29369 O=C1C=CC2=C(C=CC(Br)=C2)C1=O M24710 [0,2,0,0,0,0|1,0,1]=4 49 B14R2.142 O=Cc1ccc2cccc(O)c2n1 M18027 [0,2,0,0,0,0|0,0,0]=2 50 B14R2.8045 CC1=NC2=C(C=CC=C2O)C(=O)N1 M17652 [0,2,0,0,0,0|1,0,0]=3 51 B14R2.8235 Cc1ccc2oc(=O)cc(O)c2c1 M22646 [0,2,0,0,0,0|2,0,0]=4 52 B14R2.1146 COc1cc(=O)oc2ccccc12 M22647 [0,2,0,0,0,0|2,0,0]=4 53 B14R2.28480 O=C1C=COC2=CC(O)=CC(O)=C12 M18417 [0,2,0,0,0,0|2,0,0]=4 54 B14R2.29365 O=c1cc(O)c2ccc(O)cc2o1 M18195 [0,2,0,0,0,0|2,0,0]=4 55 B14R2.29365 O=c1ccc2c(O)cc(O)cc2o1 M28126 [0,2,0,0,0,0|2,0,0]=4 56 B14R2.8051 O=C1C=CC(=O)c2c(O)cccc21 M19883 [0,2,0,0,0,0|1,0,0]=3 57 B14R2.1131 O=Nc1ccc(O)c2ncccc12 M20951 [0,2,0,0,0,0|0,0,0]=2 58 B14R2.31359 O=C(O)c1ccnc2ccccc12 M19607 [0,2,0,0,0,0|2,0,0]=4 59 B14R3.164 C1=Cc2cccc3cccc1c23 M21231 [0,1,0,1,0,0|2,0,0]=4 60 B10R2.7 C1=CC=C2NN=CC2=C1 M13828 [1,0,0,0,1,0|1,0,1]=4