0 B8R1.7 NC(=O)[C@@H]1CCCN1 C19781 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.7 O=C(O)C1=NCCC1 C03564 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.7 O=C(O)C1CCC=N1 C04322 [0,0,0,0,0,0|2,0,2]=4 3 B8R1.7 O=C(O)C1CCCN1 C16435 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.7 O=C(O)C1CCCS1 C11074 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.7 O=C(O)[C@@H]1CCCN1 C00148 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.7 O=C(O)[C@H]1CCCN1 C00763 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.7 [C@@H]1(C(=O)O)CCC=N1 C03912 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.35 O=C(O)C1=NCC(O)C1 C04282 [0,1,0,0,0,0|2,0,0]=3 9 B7R0.4 CCCCCC(C)=O C08380 [0,0,1,0,0,0|2,0,1]=4 10 B7R0.4 CCCCOC(C)=O C12304 [0,0,1,0,0,0|3,0,0]=4 11 B7R0.5 CCCC(=O)C(=O)O C06255 [0,0,1,0,0,0|2,1,0]=4 12 B7R1.18 O=C(O)[C@@H]1CCN1 C08267 [0,0,0,0,1,0|1,0,2]=4 13 B9R1.6 O=C(O)C1=CCCCC1 C12101 [0,0,0,0,0,1|3,0,0]=4 14 B9R1.6 O=C(O)C1=CCCNC1 C10149 [0,0,0,0,0,1|2,0,1]=4 15 B9R1.6 O=C(O)C1=CCNCC1 C13694 [0,0,0,0,0,1|3,0,0]=4 16 B9R1.6 O=C(O)C1=NCCCC1 C04092 [0,0,0,0,0,1|2,0,0]=3 17 B9R1.6 O=C(O)C1=NCCSC1 C04445 [0,0,0,0,0,1|1,0,0]=2 18 B9R1.6 O=C(O)C1CSCCN1 C03901 [0,0,0,0,0,1|1,0,2]=4 19 B9R1.6 O=C(O)[C@@H]1CCCC=N1 C00450 [0,0,0,0,0,1|2,0,1]=4 20 B9R1.13 O=C(O)CC1CCCS1 C11072 [0,0,0,0,0,1|2,0,1]=4 21 B6R0.4 CC(=O)SCCN C03537 [1,0,1,0,0,0|0,0,1]=3 22 B6R0.4 O=C(O)CCCS C21736 [1,0,1,0,0,0|1,0,1]=4 23 B6R0.4 [*]CCNC(C)=O C15535 [1,0,1,0,0,0|1,0,1]=4 24 B6R0.6 CCC\C=C\C=O C08497 [1,0,1,0,0,0|2,0,0]=4 25 B6R0.3 CC(=O)\C(C)=N\O C07509 [1,0,1,0,0,0|1,0,0]=3 26 B6R0.3 CCC(=N)C(=O)O C20905 [1,0,1,0,0,0|1,0,0]=3 27 B6R0.3 CCC(=O)C(=O)O C00109 [1,0,1,0,0,0|1,1,0]=4 28 B6R0.3 C\C(=N\O)C(=O)O C02193 [1,0,1,0,0,0|2,0,0]=4 29 B6R0.3 C\C=C(/C)C(=O)O C08279 [1,0,1,0,0,0|2,0,0]=4 30 B6R1.2 CC1=NCCC1 C20808 [2,0,0,0,0,0|1,0,0]=3 31 B6R1.2 O=C1CCCC1 C00557 [2,0,0,0,0,0|2,0,0]=4 32 B6R1.2 O=C1CCCO1 C01770 [2,0,0,0,0,0|1,1,0]=4 33 B6R1.2 O=C1NCCO1 C06695 [2,0,0,0,0,0|0,1,1]=4 34 B6R1.2 O=C1OCCO1 C20363 [2,0,0,0,0,0|1,1,0]=4 35 B10R1.15 COC(=O)C1=CCCNC1 C16821 [0,1,0,0,0,1|1,0,1]=4 36 B8R1.5 O=C1CCCCC1=O C06105 [0,0,1,1,0,0|1,1,0]=4 37 B6R1.11 O=C(O)C1CC1 C16267 [0,0,0,0,2,0|1,0,1]=4