0 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1O C07588 [0,0,0,0,0,0|1,0,0]=1 1 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 C19569 [1,0,0,0,0,0|1,0,0]=2 2 B13R1.45 O=C(O)CCC(O)C1=CN=CC=C1 C19579 [1,0,0,0,0,0|1,0,2]=4 3 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 C01586 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 C16623 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 C05380 [1,0,0,0,0,0|2,0,0]=3 6 B15R1.5793 NC1=C(C(=O)CC(=O)C(=O)O)C=CC=C1 C01252 [0,1,0,0,0,0|1,0,1]=3 7 B15R1.5793 NC1=CC=CC=C1C(=O)CC(N)C(=O)O C01718 [0,1,0,0,0,0|1,0,0]=2 8 B15R1.5793 NC1=CC=CC=C1C(=O)C[C@H](N)C(=O)O C00328 [0,1,0,0,0,0|1,0,0]=2 9 B13R1.201 NC1=C(C(=O)CC(=O)O)C=CC=C1 C21453 [0,0,0,0,1,0|1,0,0]=2 10 B12R1.30 O=C(CCCO)C1=CN=CC=C1 C19565 [2,0,0,0,0,0|1,0,1]=4 11 B12R1.30 O=CCCC(=O)C1=CN=CC=C1 C19567 [2,0,0,0,0,0|1,0,0]=3 12 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O C03450 [1,1,0,0,0,0|0,0,0]=2 13 B14R1.678 O=C(O)CCC(=O)C1=CN=C(O)C=C1 C19631 [1,1,0,0,0,0|1,0,0]=3 14 B14R1.161 O=C(O)C(=O)\C=C\C1=CC=CC=C1O C06203 [1,1,0,0,0,0|0,0,2]=4 15 B16R1.10819 [*]C(=O)[C@@H](N)CSC(=O)C1=CC=CC=C1N C21488 [0,1,0,0,0,1|2,0,0]=4 16 B16R1.4547 O=C(O)CCC(=O)C1=C(C(=O)O)C=CC=C1 C02730 [0,2,0,0,0,0|0,0,0]=2 17 B16R1.11263 NC1=C(C(=O)CC(N)C(=O)O)C=CC=C1O C02794 [0,2,0,0,0,0|1,0,0]=3 18 B16R1.11263 NC1=C(C(=O)C[C@H](N)C(=O)O)C=CC=C1O C03227 [0,2,0,0,0,0|1,0,0]=3 19 B16R1.11263 NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)O C05645 [0,2,0,0,0,0|1,0,1]=4 20 B16R1.11443 NC1=CC=C(O)C=C1C(=O)CC(=O)C(=O)O C05652 [0,2,0,0,0,0|1,0,1]=4 21 B16R1.11443 NC1=CC=C(O)C=C1C(=O)C[C@H](N)C(=O)O C05651 [0,2,0,0,0,0|1,0,0]=3 22 B14R2.8051 O=C1C=CC(=O)C2=C1C=CC=C2O C03840 [1,0,0,1,0,0|0,0,2]=4 23 B14R2.2 O=C(O)CC1=CNC2=CC=CC=C12 C00954 [0,0,0,1,1,0|2,0,0]=4 24 B14R2.28480 O=C1CC(O)CC2=CC=CC(O)=C12 C01624 [0,0,0,1,1,0|1,0,1]=4 25 B16R2.36 O=C(O)CCCC1=CNC2=CC=CC=C12 C11284 [0,0,0,1,0,1|2,0,0]=4 26 B16R2.12 NC(CC1=CNC2=CC=CC=C12)C(=O)O C00806 [0,1,0,1,0,0|2,0,0]=4 27 B16R2.12 N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)O C00078 [0,1,0,1,0,0|2,0,0]=4 28 B16R2.12 N[C@H](CC1=CNC2=CC=CC=C12)C(=O)O C00525 [0,1,0,1,0,0|2,0,0]=4 29 B16R2.12 O=C(O)C(O)CC1=CNC2=CC=CC=C12 C02043 [0,1,0,1,0,0|2,0,0]=4 30 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 C20488 [1,0,0,0,1,0|1,0,1]=4 31 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 C20487 [1,0,0,0,1,0|1,0,1]=4 32 B12R1.107 O=C(O)CC(=O)C1=CC=CC=C1 C07114 [1,0,0,0,1,0|0,0,0]=2 33 B12R1.125 O=C(O)CCC1=CC=CC=C1O C01198 [1,0,0,0,1,0|0,0,0]=2 34 B12R1.125 O=C(O)\C=C/C1=CC=CC=C1O C05838 [1,0,0,0,1,0|0,0,1]=3 35 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O C01772 [1,0,0,0,1,0|0,0,1]=3 36 B12R1.124 NC1=CC=CC=C1C(=O)C(=O)O C21155 [0,0,0,0,2,0|1,0,0]=3