0 B16R1.13650 CCOC(=O)[C@@H](CC1=CC=CC=C1)C(C)=O D87683 [0,0,0,0,0,0|0,0,2]=2 1 B16R1.13650 CCOC(=O)\C(=C/C1=CC=CC=C1)C(C)=O S10352 [0,0,0,0,0,0|0,0,0]=0 2 B17R1.21041 CCOC(=O)[C@H](C(=O)C1=CC=CC=C1)C(C)C F31218 [0,1,0,0,0,0|1,0,2]=4 3 B17R2.50008 CCOC(=O)C1=CC2=CC=CC=C2N=C1N 59731 [0,0,0,1,0,0|2,0,0]=3 4 B17R2.50008 CCOC(=O)C1=CC2=CN=CC=C2N=C1C W12248 [0,0,0,1,0,0|2,0,0]=3 5 B17R2.50008 CCOC(=O)C1=NC2=CC=CC=C2C=C1N O11773 [0,0,0,1,0,0|2,0,1]=4 6 B17R1.5389 CCOC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O 22865 [0,0,0,0,0,1|1,0,2]=4 7 B16R1.743 CCOC(=O)\C(C#N)=C/C1=CC=C(Cl)C=C1 A12276 [1,1,0,0,0,0|1,0,1]=4 8 B16R1.743 CCOC(=O)\C(C#N)=C\C1=CC=C(O)C=C1 C76195 [1,1,0,0,0,0|1,0,1]=4 9 B16R1.15117 CCOC(=O)\C(C#N)=C\C1=C(F)C=CC=C1 A12876 [1,1,0,0,0,0|1,0,1]=4 10 B16R1.5823 COC(=O)C(=CC1=CC=CC=C1)C(=O)OC W12665 [1,1,0,0,0,0|0,0,0]=2 11 B16R1.5826 COC(=O)\C(=C\C1=C(Cl)C=CC=C1)C(C)=O 28775 [1,1,0,0,0,0|0,0,0]=2 12 B16R2.757 CCOC(=O)C1=C(C)C2=C(C=CC=C2)N1 F20016 [1,0,0,1,0,0|1,0,0]=3 13 B16R2.757 CCOC(=O)C1=C(O)C2=C(C=CC=C2)S1 87687 [1,0,0,1,0,0|1,0,1]=4 14 B16R2.757 CCOC(=O)[C@@H]1CC2=C(C=CC=C2)C1=O 72266 [1,0,0,1,0,0|0,0,2]=4 15 B16R2.757 CCOC(=O)[C@@H]1OC2=C(C=CC=C2)C1=O C72231 [1,0,0,1,0,0|1,0,1]=4 16 B16R2.767 CCOC(=O)C1=CC2=CC=NC=C2N=C1 80938 [1,0,0,1,0,0|2,0,0]=4 17 B16R2.767 CCOC(=O)C1=CC2=CN=CC=C2C=C1 C75065 [1,0,0,1,0,0|1,0,1]=4 18 B16R2.1612 COC1=NC2=CC=CC=C2C=C1C(C)=O D71912 [1,0,0,1,0,0|1,0,0]=3 19 B16R2.33941 COC(=O)C1=CC2=C(C=CC=C2)NC1=O 37147 [1,0,0,1,0,0|1,0,0]=3 20 B16R2.33941 COC(=O)C1=CC2=CC=CC=C2N=C1Cl P10338 [1,0,0,1,0,0|2,0,0]=4 21 B16R2.83668 CN1C(=O)C(C(=O)O)=CC2=C1C=CC=C2 D82822 [1,0,0,1,0,0|2,0,0]=4 22 B16R2.29842 CCOC(=O)C1=C(C)N=C2C=CC=CN21 TD8053 [0,0,0,1,1,0|2,0,0]=4 23 B16R2.29842 CCOC(=O)N1C(=O)NC2=C1C=CC=C2 A12504 [0,0,0,1,1,0|2,0,0]=4 24 B18R2.124774 CCOC(=O)CC1=CC2=CC=CN=C2N=C1C 51072 [0,0,0,1,0,1|2,0,0]=4 25 B18R2.8107 CCOC(=O)C1=C(C)C=C(C2=CC=CC=C2)N1 D80531 [0,0,0,1,0,1|1,0,0]=3 26 B18R2.8107 CCOC(=O)C1=C(C)N=C(C2=CC=CC=C2)S1 D86794 [0,0,0,1,0,1|1,0,0]=3 27 B18R2.8107 CCOC(=O)C1=C(C)NC(C2=CC=CC=C2)=C1 W17434 [0,0,0,1,0,1|1,0,0]=3 28 B18R2.8107 CCOC(=O)C1=C(N)SC(C2=CC=CC=C2)=N1 53051 [0,0,0,1,0,1|1,1,0]=4 29 B18R2.8107 CCOC(=O)C1=CN(C2=CC=CC=C2)N=C1N 76543 [0,0,0,1,0,1|2,0,0]=4 30 B18R2.230 CCOC(=O)C1=C(C2=CC=CC=C2)N=C(N)S1 T72765 [0,0,0,1,0,1|2,0,0]=4 31 B18R2.81911 CCOC(=O)C1=C(C(=O)O)C2=C(C=CC=C2)N1 C75192 [0,0,0,1,0,1|2,0,0]=4 32 B18R2.630054 CCOC(=O)C1=NC2=CC=CC=C2C(Cl)=C1C C90440 [0,1,0,1,0,0|2,0,0]=4 33 B18R2.630054 CCOC(=O)C1=NC2=CC=CC=C2C(O)=C1C C90432 [0,1,0,1,0,0|1,0,1]=4 34 B18R2.631601 CCOC(=O)C1=CC2=C(Cl)C=CC=C2OC1=O C13691 [0,1,0,1,0,0|1,0,0]=3 35 B18R2.82315 CCOC(=O)C1=C(O)C2=CC=CC=C2N=C1C C90536 [0,1,0,1,0,0|1,0,0]=3 36 B18R2.81826 CCOC(=O)C1=CC2=C(C=C(Br)C=C2)OC1=O A11866 [0,1,0,1,0,0|1,0,0]=3 37 B18R2.81826 CCOC(=O)C1=CC2=C(C=C(O)C=C2)OC1=O F19857 [0,1,0,1,0,0|1,0,0]=3 38 B18R2.32565 CC(C)N1C(=O)C(C(=O)O)=CC2=C1C=CC=C2 62802 [0,1,0,1,0,0|2,0,0]=4 39 B16R1.5825 COC(=O)\C(=C/C1=CN=CC=C1)CC(=O)O C13444 [1,0,0,0,0,1|2,0,0]=4 40 B16R1.5825 COC(=O)\C(=C\C1=CC=CC=C1)NC(C)=O C75834 [1,0,0,0,0,1|0,0,0]=2 41 B16R1.15562 CCOC(=O)N[C@@H](C(=O)O)C1=CC=CC=C1 N16865 [0,0,0,0,1,1|1,0,1]=4