0 B14R1.818 CC(=O)CC(=O)\C=C\C1=CC=CC=C1 30085 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.818 CC(C)NC(=O)CCC1=CC=CC=C1 W16282 [0,0,0,0,0,0|1,0,2]=3 2 B13R1.42 CCOC(=O)C#CC1=CN=CC=C1 AC6430 [1,0,0,0,0,0|1,0,2]=4 3 B13R1.42 CCOC(=O)CCC1=NC=CC=C1 AC2306 [1,0,0,0,0,0|1,0,2]=4 4 B15R1.741 C[C@@H](CN)NC(=O)OCC1=CC=CC=C1 I11642 [0,1,0,0,0,0|2,0,1]=4 5 B15R1.741 C[C@@H](CO)NC(=O)OCC1=CC=CC=C1 AB10098 [0,1,0,0,0,0|2,0,1]=4 6 B15R1.3465 CC(C)(C)OC(=O)\C=C\C1=NC=CC=C1 W12163 [0,1,0,0,0,0|1,0,0]=2 7 B15R2.1668 FC(F)OC1=CC2=CC=CC=C2C=C1 S10100 [0,0,0,1,0,0|3,0,0]=4 8 B15R2.24494 O=C(CC1CC1)OCC2=CC=CC=C2 W11717 [0,0,0,1,0,0|2,0,1]=4 9 B13R1.348 CC(C)=CC(=O)NC1=CC=CC=C1 C91653 [0,0,0,0,1,0|2,0,1]=4 10 B13R1.348 C[C@H](Cl)OC(=O)OC1=CC=CC=C1 A12584 [0,0,0,0,1,0|2,0,0]=3 11 B13R1.351 C[C@H](O)C(=O)OCC1=CC=CC=C1 Y14681 [0,0,0,0,1,0|2,0,1]=4 12 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [2,0,0,0,0,0|1,0,1]=4 13 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [2,0,0,0,0,0|1,0,1]=4 14 B12R1.27 COC(=O)\C=C\C1=CN=CC=C1 N10425 [2,0,0,0,0,0|1,0,0]=3 15 B14R1.32 CCNC(=O)\C=C\C1=CC=CC(Br)=C1 A12667 [1,1,0,0,0,0|1,0,0]=3 16 B14R1.32 CCOC(=O)CCC1=CC(C)=CC=C1 C11585 [1,1,0,0,0,0|0,0,2]=4 17 B14R1.32 CCOC(=O)CCC1=CC=CC(Br)=C1 AB7159 [1,1,0,0,0,0|0,0,2]=4 18 B14R1.32 CCOC(=O)CCC1=CC=CC(Cl)=C1 D84518 [1,1,0,0,0,0|0,0,2]=4 19 B14R1.32 CCOC(=O)CNC1=CC=CC(Br)=C1 F52118 [1,1,0,0,0,0|1,0,1]=4 20 B14R1.32 CCOC(=O)COC1=CC=CC(F)=C1 AC6808 [1,1,0,0,0,0|1,0,1]=4 21 B14R1.32 CCOC(=O)\C=C\C1=CC(N)=CC=C1 50749 [1,1,0,0,0,0|0,0,0]=2 22 B14R1.32 CCOC(=O)\C=C\C1=CC(O)=CC=C1 W15436 [1,1,0,0,0,0|0,0,0]=2 23 B14R1.32 CCOC(=O)\C=C\C1=CC=CC(Cl)=C1 A10035 [1,1,0,0,0,0|0,0,0]=2 24 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 Y12270 [1,1,0,0,0,0|0,0,2]=4 25 B14R1.60 CCOC(=O)[C@@H](O)CC1=CC=CC=C1 D97639 [1,1,0,0,0,0|0,0,2]=4 26 B14R1.502 CCOC(=O)C#CC1=CC=C(F)C=C1 84995 [1,1,0,0,0,0|0,0,2]=4 27 B14R1.502 CCOC(=O)CCC1=CC=C(Cl)C=C1 C10962 [1,1,0,0,0,0|0,0,2]=4 28 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 F20005 [1,1,0,0,0,0|0,0,2]=4 29 B14R1.502 CCOC(=O)COC1=CC=C(F)C=C1 W18870 [1,1,0,0,0,0|1,0,1]=4 30 B14R1.502 CCOC(=O)COC1=CC=C(O)C=C1 C11637 [1,1,0,0,0,0|1,0,1]=4 31 B14R1.502 CCOC(=O)\C=C\C1=CN=C(N)C=C1 Y11005 [1,1,0,0,0,0|1,0,0]=3 32 B14R1.598 CCOC(=O)CCC1=C(O)C=CC=C1 W18949 [1,1,0,0,0,0|0,0,2]=4 33 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 F17454 [1,1,0,0,0,0|1,0,1]=4 34 B14R1.598 CCOC(=O)\C=C\C1=C(Cl)C=CC=C1 AB7167 [1,1,0,0,0,0|0,0,0]=2 35 B14R1.756 COC(=O)C(=O)\C=C\C1=CC=CC=C1 S11384 [1,1,0,0,0,0|2,0,0]=4 36 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 F52319 [0,1,0,0,1,0|1,0,1]=4 37 B14R1.3099 CC(C)(O)C(=O)OCC1=CC=CC=C1 31573 [0,1,0,0,1,0|1,0,1]=4 38 B14R1.3099 O=C(\C=C\C1=CC=CC=C1)C(F)(F)F C76817 [0,1,0,0,1,0|2,0,0]=4 39 B16R1.12547 CC(C)(C)OC(=O)NNCC1=CC=CC=C1 76780 [0,1,0,0,0,1|1,0,1]=4 40 B16R1.12547 CC(C)(C)OC(=O)N\N=C\C1=NC=CC=C1 80237 [0,1,0,0,0,1|2,0,0]=4 41 B16R1.7422 CC(C)(C)OC(=O)NCC1=C(N)C=CC=C1 25734 [0,2,0,0,0,0|1,0,1]=4 42 B16R1.12572 CC(C)(C)OC(=O)[C@@H](O)CC1=CC=CC=C1 N10569 [0,2,0,0,0,0|0,0,2]=4 43 B16R1.1040 CC(C)(C)OC(=O)CCC1=CC=C(N)C=C1 C77723 [0,2,0,0,0,0|0,0,2]=4 44 B16R1.1040 CC(C)(C)OC(=O)CNC1=CC=C(F)C=C1 W18225 [0,2,0,0,0,0|1,0,1]=4 45 B14R2.31359 CC(C)C1=CC=CC2=CC=CC=C21 96984 [1,0,0,1,0,0|1,0,0]=3 46 B14R2.31359 C[C@H](O)C1=CC=CC2=CC=CC=C21 C15783 [1,0,0,1,0,0|2,0,0]=4 47 B14R2.642 CC(C)[C@@H]1C(=O)NC2=C1C=CC=C2 W18023 [0,0,0,1,1,0|2,0,0]=4 48 B14R2.781 CN(C)C1=CC2=CC=CC=C2C=C1 T70630 [0,0,0,1,1,0|2,0,0]=4 49 B14R2.781 C[C@H](N)C1=CC2=CC=CC=C2C=C1 F16860 [0,0,0,1,1,0|2,0,0]=4 50 B14R2.781 C[C@H](O)C1=CC2=CC=CC=C2C=C1 R10069 [0,0,0,1,1,0|2,0,0]=4 51 B14R2.781 C[C@H](O)C1=CC2=CC=CC=C2C=C1 T72566 [0,0,0,1,1,0|2,0,0]=4 52 B16R2.1131 CC1=CC=C(\C=C2/N=C(C)OC2=O)C=C1 R10011 [0,1,0,1,0,0|1,0,1]=4 53 B16R2.82802 CC(C)(N)CC1=CC2=CC=CC=C2C=C1 72632 [0,1,0,1,0,0|2,0,0]=4 54 B16R2.82802 CC(C)(N)CC1=CC2=CC=CC=C2C=C1 O10828 [0,1,0,1,0,0|2,0,0]=4 55 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 C73314 [1,0,0,0,1,0|1,0,1]=4 56 B12R1.32 CCOC(=O)NC1=CC=NC=C1 F21286 [1,0,0,0,1,0|2,0,0]=4 57 B12R1.51 CCOC(=O)\C=C\C1=CNC=N1 F19956 [1,0,0,0,1,0|2,0,0]=4 58 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F10253 [0,0,0,0,2,0|2,0,0]=4 59 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [0,0,0,0,2,0|1,0,1]=4