0 B13R1.42 O=C(OCC)COC1=CC=CC=C1 M10045364P [0,0,0,0,0,0|1,0,1]=2 1 B12R1.27 CCC(OCC1=CC=CC=C1)=O M10004505P [1,0,0,0,0,0|1,0,1]=3 2 B12R1.27 O=C(CCC1=CC=CC=C1)CBr M10215691P [1,0,0,0,0,0|1,0,2]=4 3 B12R1.27 O=C(NCC1=CC=CC=C1)CCl M10045433P [1,0,0,0,0,0|2,0,1]=4 4 B12R1.27 O=C(OC)CNC1=CC=CC=C1 M10121939P [1,0,0,0,0,0|1,0,1]=3 5 B12R1.27 O=C(OC)COC1=CC=CC=C1 M10039630P [1,0,0,0,0,0|1,0,1]=3 6 B14R1.29 O=C(OCC)CC(C1=CC=NC=C1)=O M10193613P [0,1,0,0,0,0|1,0,1]=3 7 B14R1.29 O=C(OCC)CC(C1=NC=CC=C1)=O M10194204P [0,1,0,0,0,0|1,0,1]=3 8 B14R1.29 O=C(OCC)C[C@@H](N)C1=CC=CC=C1 M10862056P [0,1,0,0,0,0|0,0,2]=3 9 B14R1.29 O=C(OCC)C[C@H](N)C1=CC=CC=C1 M10796437P [0,1,0,0,0,0|0,0,2]=3 10 B14R1.29 O=C(OCC)C[C@H](O)C1=CC=CC=C1 M10220276P [0,1,0,0,0,0|0,0,2]=3 11 B14R1.156 O=C(OCC=C)\C=C\C1=CC=CC=C1 M10037303P [0,1,0,0,0,0|0,0,1]=2 12 B14R1.502 O=C(OCC)CCC1=CC=C(O)C=C1 M10181797P [0,1,0,0,0,0|0,0,2]=3 13 B14R1.502 O=C(OCC)\N=C\C1=CC=C(Cl)C=C1 M10940149P [0,1,0,0,0,0|1,0,0]=2 14 B14R1.818 O=C(OC(C)C)\C=C\C1=CC=CC=C1 M10110590P [0,1,0,0,0,0|0,0,0]=1 15 B14R2.21 O=C1C=C(C2=CC=CC=C2)CCC1 M10114322P [0,0,0,1,0,0|1,0,0]=2 16 B14R2.21 O=C1CC(C2=CC=CC=C2)CCC1 M10167473P [0,0,0,1,0,0|1,0,2]=4 17 B14R2.21 O=C1NC(C2=CC=CC=C2)CCC1 M10245848P [0,0,0,1,0,0|2,0,1]=4 18 B14R2.112 OCCC1=CC=C2C=CC=CC2=C1 M10031533P [0,0,0,1,0,0|3,0,0]=4 19 B14R2.203 COC1=C2C=CC=CC2=CC=C1Br M10354134P [0,0,0,1,0,0|3,0,0]=4 20 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 M10141652P [0,0,0,1,0,0|2,0,1]=4 21 B12R1.32 O=C(OCC)CC1=NC=CC=C1 M10047179P [0,0,0,0,1,0|1,0,1]=3 22 B12R1.32 O=C(OCC)CC1=NC=NC=C1 M11120451P [0,0,0,0,1,0|2,0,1]=4 23 B14R1.520 O=C(OCC)CNCC1=CC=CC=C1 M10090848P [0,0,0,0,0,1|0,0,2]=3 24 B11R1.91 O=C(O)COC1=CC=CC=C1 M10190227P [2,0,0,0,0,0|1,0,1]=4 25 B11R1.91 O=[N+](\C=C\C1=CC=CC=C1)[O-] M10263073P [2,0,0,0,0,0|1,0,1]=4 26 B13R1.19 O=C(OCC)CC1=CC=C(Cl)C=C1 M10128477P [0,1,0,0,1,0|0,0,1]=3 27 B13R1.20 O=C(OCC)CC1=CC=CC(Cl)=C1 M10128481P [0,1,0,0,1,0|0,0,1]=3 28 B13R1.47 O=C(OCC)C(Br)C1=CC=CC=C1 M10048625P [0,1,0,0,1,0|0,0,1]=3 29 B13R1.470 O=C(OCC)CC1=CC=CC=C1Cl M10241509P [0,1,0,0,1,0|0,0,1]=3 30 B13R1.33 O=C(OCC)CC(C1=CC=CS1)=O M10125612P [0,1,0,0,1,0|1,0,1]=4 31 B15R1.11 O=C(OCC)CCCC1=CC=C(Br)C=C1 M10661313P [0,1,0,0,0,1|0,0,2]=4 32 B15R1.89 O=C(OCC)CNC(C1=CC=CC=C1)=O M10031765P [0,1,0,0,0,1|0,0,1]=3 33 B15R1.24 O=C(OCC)CC(C1=CC=CC(F)=C1)=O M10219481P [0,2,0,0,0,0|0,0,1]=3 34 B15R1.578 O=C(OCC)[C@H](O)[C@@H](N)C1=CC=CC=C1 M10763207P [0,2,0,0,0,0|0,0,2]=4 35 B15R1.10390 O=C(OCC)\C=C\C1=CC=C(O)C(O)=C1 M10420951P [0,2,0,0,0,0|0,0,0]=2 36 B15R1.48 CC(OC1=CC=C(O)C=C1)C(OCC)=O M10412024P [0,2,0,0,0,0|1,0,1]=4 37 B15R1.48 C[C@@H](OC1=CC=C(O)C=C1)C(OCC)=O M10442330P [0,2,0,0,0,0|1,0,1]=4 38 B15R1.48 O=C(OCC)C(NC1=CC=C(F)C=C1)=O M10432805P [0,2,0,0,0,0|1,0,0]=3 39 B15R1.48 O=C(OCC)C(NC1=NC=C(C)C=C1)=O M12113647P [0,2,0,0,0,0|2,0,0]=4 40 B15R1.5919 O=C(OCC(C)C)\C=C\C1=CC=CC=C1 M10004508P [0,2,0,0,0,0|0,0,0]=2 41 B15R1.793 O=C(OCC)CNC1=CC=C(C#N)C=C1 M10837720P [0,2,0,0,0,0|1,0,1]=4 42 B15R1.3983 CCOC(OCC)\C=C\C1=CC=CC=C1 M10101635P [0,2,0,0,0,0|0,0,2]=4 43 B13R1.464 O=C(OCC)C1=CC=CC=C1C#N M10092912P [0,0,1,1,0,0|1,0,1]=4 44 B13R1.446 O=C(OCC)C1=CC(C)=CC=C1N M10302643P [0,0,1,1,0,0|1,0,1]=4 45 B13R1.446 O=C(OCC)C1=CC(I)=CC=C1N M10849569P [0,0,1,1,0,0|2,0,0]=4 46 B13R2.3 C1(C2=CC=CC=C2)=CCNCC1 M10250419P [1,0,0,1,0,0|1,0,1]=4 47 B13R2.1613 CCC1=C2C=CC=CC2=CC=C1 M10027526P [1,0,0,1,0,0|1,0,0]=3 48 B13R2.32 CC1=CC=C2C=CC=CC2=C1C M10014496P [1,0,0,1,0,0|1,0,1]=4 49 B13R2.449 CCOC1=CC2=C(C=C1)C=CN2 M10234691P [0,0,0,1,1,0|2,0,0]=4 50 B15R2.73 O=C(C1=CNC2=C1C=CC=C2)OCC M10020574P [0,0,0,1,0,1|0,0,0]=2 51 B15R2.10252 CCOC1=CC2=CC=C(Br)C=C2C=C1 M10418402P [0,1,0,1,0,0|1,0,0]=3 52 B15R2.10252 OC1=CC=C2C=C(CCC)C=CC2=C1 M10047556P [0,1,0,1,0,0|2,0,0]=4 53 B15R2.1356 O=C(C1=CC2=NC=CC=C2N1)OCC M10148466P [0,1,0,1,0,0|1,0,0]=3 54 B15R2.1356 O=C(C1=CN2C=CC=CC2=N1)OCC M10238043P [0,1,0,1,0,0|1,0,0]=3 55 B15R2.1356 O=C(C1=NC2=CC=CC=C2S1)OCC M10216170P [0,1,0,1,0,0|1,0,0]=3 56 B15R2.352 OCCOC1=CC=C2C=CC=CC2=C1 M10002207P [0,1,0,1,0,0|1,0,0]=3 57 B15R2.1282 OC1=CC=C2C=CC(OCC)=CC2=C1 M10298157P [0,1,0,1,0,0|1,0,0]=3 58 B11R1.40 CCC(CC1=CC=CC=C1)=O M10025082P [1,0,0,0,1,0|0,0,1]=3 59 B11R1.40 NCC(NC1=CC=CC=C1)=O M10092528P [1,0,0,0,1,0|2,0,0]=4 60 B11R1.40 O=C(OC1=CC=CC=C1)CBr M10016467P [1,0,0,0,1,0|2,0,0]=4 61 B11R1.16 C\C=C\C(C1=CC=CC=C1)=O M11192493P [0,0,0,0,2,0|1,0,1]=4 62 B11R1.16 N=C(OCC)C1=CC=CC=C1 M10071237P [0,0,0,0,2,0|1,0,0]=3 63 B11R1.16 O=C(C1=CC=CC=C1)CCF M10011121P [0,0,0,0,2,0|2,0,0]=4 64 B11R1.16 O=C(C1=NC=CN=C1)OCC M10097264P [0,0,0,0,2,0|2,0,0]=4 65 B11R1.16 O=C(C1=NN=CC=C1)OCC M10027463P [0,0,0,0,2,0|2,0,0]=4 66 B11R1.16 O=C(OCCl)C1=CC=CC=C1 M10071312P [0,0,0,0,2,0|1,0,0]=3 67 B15R1.778 O=C(OCC)CCNCC1=CC=CC=C1 M10180745P [0,0,0,0,0,2|0,0,2]=4