0 B12R1.8 CNCC\C=C\c1cccnc1 DY541689 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.8 OCCC\C=C\C1=CC=CC=C1 DY517527 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.28 CCO\C=N\C1=CC=CC=C1 DY566853 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 NOCOCC1=CC=CC=C1 DY798807 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 O=CCCCC1=CC=CN=C1 DY657979 [1,0,0,0,0,0|1,0,2]=4 5 B13R1.24 C=CCCOC(=O)C1=CC=CC=C1 DY746035 [0,1,0,0,0,0|3,0,0]=4 6 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 NO11144 [0,1,0,0,0,0|0,0,0]=1 7 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 DY797079 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 DY439151 [0,1,0,0,0,0|2,0,1]=4 9 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 NO11547 [0,0,0,1,0,0|2,0,1]=4 10 B13R2.3 c1ccc(-c2ccccn2)cc1 DY114970 [0,0,0,1,0,0|2,0,1]=4 11 B13R2.15 CC1=NNC=C1C2=CC=CC=C2 DY441027 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.15 NC1=C(C2=CC=CC=C2)C=NO1 DY602183 [0,0,0,1,0,0|2,0,0]=3 13 B13R2.15 NC1=NNC=C1C2=CC=CC=C2 DY648431 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.1613 O=CC1=C2C=NC=CC2=CC=C1 DY762932 [0,0,0,1,0,0|2,0,1]=4 15 B13R2.1613 O=CC1=CC=CC2=C1C=CC=N2 NO13974 [0,0,0,1,0,0|2,0,1]=4 16 B13R2.1613 O=CC1=CC=NC2=CC=CC=C12 NO11270 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 DY20683 [0,0,0,1,0,0|1,0,2]=4 18 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 NO11086 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY41818 [2,0,0,0,0,0|1,0,0]=3 20 B10R1.17 ClC\C=C\C1=CC=CC=C1 DY539883 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.17 O=C=NCC1=CC=CC=C1 DY585959 [2,0,0,0,0,0|1,0,1]=4 22 B10R1.17 O=CC#CC1=CC=CC=C1 NO18196 [2,0,0,0,0,0|0,0,2]=4 23 B10R1.17 O=CCCC1=CC=CN=C1 DY585487 [2,0,0,0,0,0|1,0,1]=4 24 B10R1.17 O=CCSC1=CC=CC=C1 DY566091 [2,0,0,0,0,0|1,0,0]=3 25 B10R1.17 OC\C=C\C1=CC=CC=C1 DY503697 [2,0,0,0,0,0|0,0,0]=2 26 B12R1.32 CC(CC1=CC=CC=C1)NC=O DY541845 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.252 CC(=O)NCCC1=CC=CC=C1 DY459522 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 DY537141 [1,1,0,0,0,0|1,0,1]=4 29 B12R1.252 O=C(O)CNCC1=CC=CC=C1 NO21182 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.252 O=C(O)COCC1=CC=CC=C1 NO14115 [1,1,0,0,0,0|1,0,1]=4 31 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 DY21009 [0,2,0,0,0,0|1,0,1]=4 32 B12R2.1 CON1C=CC2=CC=CC=C21 DY559761 [1,0,0,1,0,0|1,0,1]=4 33 B12R2.1 O=CC1=CNC2=CC=CC=C12 NO21525 [1,0,0,1,0,0|1,0,1]=4 34 B12R2.1 O=CC1=CSC2=C1C=CC=C2 NO21482 [1,0,0,1,0,0|1,0,1]=4 35 B12R2.1 O=CC1CNC2=CC=CC=C21 DY630762 [1,0,0,1,0,0|1,0,1]=4 36 B12R2.1 O=CN1CCC2=CC=CC=C21 DY630756 [1,0,0,1,0,0|1,0,1]=4 37 B12R2.2 C1=CC(C2=COC=N2)=CC=N1 DY712213 [1,0,0,1,0,0|2,0,0]=4 38 B12R2.2 C1=CC=C(C2=CC=CO2)C=C1 DY114862 [1,0,0,1,0,0|0,0,2]=4 39 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 NO21744 [1,0,0,1,0,0|0,1,1]=4 40 B12R2.2 C1=CC=C(C2=CN=CO2)C=C1 NO10486 [1,0,0,1,0,0|1,0,1]=4 41 B12R2.2 C1=CC=C(C2=CN=CS2)C=C1 NO16261 [1,0,0,1,0,0|1,1,0]=4 42 B12R2.2 C1=CC=C(C2=CNC=C2)C=C1 DY545949 [1,0,0,1,0,0|1,0,1]=4 43 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 DY773661 [1,0,0,1,0,0|1,0,0]=3 44 B12R2.2 C1=CC=C(C2=NOC=C2)C=C1 DY763040 [1,0,0,1,0,0|1,0,1]=4 45 B12R2.1081 BrC1=NC=CC2=CC=CC=C21 DY526749 [1,0,0,1,0,0|2,0,0]=4 46 B12R2.1081 ClC1=NC=CC2=CC=CC=C21 NO10943 [1,0,0,1,0,0|2,0,0]=4 47 B12R2.1081 FC1=CC=CC2=CC=CC=C12 DY20582 [1,0,0,1,0,0|1,0,1]=4 48 B12R2.1081 NC1=NC=CC2=CC=CC=C21 NO21592 [1,0,0,1,0,0|2,0,0]=4 49 B12R2.1081 O=C1C=CNC2=CC=CC=C12 NO15452 [1,0,0,1,0,0|1,0,1]=4 50 B12R2.1081 O=C1CCCC2=CC=CC=C12 NO14809 [1,0,0,1,0,0|0,0,2]=4 51 B12R2.1081 O=C1CCNC2=CC=CC=C12 NO15321 [1,0,0,1,0,0|1,0,1]=4 52 B12R2.1081 O=C1CCOC2=CC=CC=C12 NO22800 [1,0,0,1,0,0|1,0,1]=4 53 B12R2.1081 O=C1CNNC2=CC=CC=C12 DY755743 [1,0,0,1,0,0|2,0,0]=4 54 B12R2.1081 O=C1NC=CC2=C1N=CC=C2 NO15650 [1,0,0,1,0,0|2,0,0]=4 55 B12R2.1081 O=C1NCCC2=CC=CC=C12 NO17872 [1,0,0,1,0,0|1,0,1]=4 56 B12R2.1081 O=C1NN=CC2=CC=CC=C12 NO19825 [1,0,0,1,0,0|2,0,0]=4 57 B12R2.1081 O=C1OCCC2=CC=CC=C12 NO12987 [1,0,0,1,0,0|0,0,1]=3 58 B12R2.1081 OC1=CC=CC2=CC=CC=C12 NO18546 [1,0,0,1,0,0|0,0,2]=4 59 B12R2.1081 OC1=NC=CC2=CC=CC=C21 NO10978 [1,0,0,1,0,0|1,0,1]=4 60 B14R2.11635 O=CC1=CC=CC2=CC=CC(Br)=C12 DY575175 [0,1,0,1,0,0|1,0,1]=4 61 B14R2.1131 O=CC1=CC=C(F)C2=CC=CC=C12 NO16549 [0,1,0,1,0,0|1,0,1]=4 62 B14R2.4510 O=C1CCNC(=O)C2=C1C=CC=C2 DY673446 [0,1,0,1,0,0|1,0,1]=4 63 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 NO10014 [0,1,0,1,0,0|0,0,2]=4 64 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 NO10013 [0,1,0,1,0,0|0,0,2]=4 65 B14R2.287 O=C1CCC(=O)C2=C(C=CC=C2)N1 DY104102 [0,1,0,1,0,0|2,0,0]=4 66 B14R2.287 O=C1CCC(=S)NC2=C1C=CC=C2 DY528123 [0,1,0,1,0,0|2,0,0]=4 67 B14R2.1146 O=CC1=CC(F)=CC2=CC=CC=C21 DY768419 [0,1,0,1,0,0|1,0,1]=4 68 B14R2.2 CC(=O)OC1=CNC2=CC=CC=C21 DY426069 [0,1,0,1,0,0|1,0,1]=4 69 B14R2.2 O=C(O)CN1C=CC2=CC=CC=C21 DY543747 [0,1,0,1,0,0|2,0,0]=4 70 B14R2.31359 CC(=O)C1=CC=CC2=CC=CC=C21 NO20585 [0,1,0,1,0,0|1,0,1]=4 71 B14R2.31359 CC(=O)C1=NC=CC2=CC=CC=C21 DY561603 [0,1,0,1,0,0|2,0,0]=4 72 B14R2.31359 O=C(O)C1=NC=CC2=CC=CC=C21 NO21774 [0,1,0,1,0,0|2,0,0]=4