0 B7R0.3 COC(=O)CCCN T22364 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 COC(=O)CCN T8097 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.4 NC(=S)NCC=C T0418 [1,0,0,0,0,0|2,1,0]=4 3 B6R0.4 OC(=O)CCC=C T8032 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.6 CC/C=C\CCO T22295 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.9 COC(=O)CCC(C)=O TN4548 [0,1,0,0,0,0|2,0,1]=4 6 B8R0.9 NCC(=O)CCC(O)=O T14047 [0,1,0,0,0,0|3,0,0]=4 7 B8R0.9 NCC(=O)CCC(O)=O T1662 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.9 NCC(=O)NCC(O)=O T5286 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.19 CCC(C)CC(=O)CC TN3128 [0,1,0,0,0,0|1,0,2]=4 10 B8R1.1 C=CC1CNC(=S)O1 T2S1778 [0,0,0,1,0,0|1,2,0]=4 11 B8R1.1 C=C[C@@H]1CNC(=S)O1 T5S0092 [0,0,0,1,0,0|1,2,0]=4 12 B8R1.1 CCC1CCC(=O)O1 T8098 [0,0,0,1,0,0|0,1,2]=4 13 B8R1.1 COC1CCC(=O)N1 TN4855 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.5 CC1CCCCC1=O T36789 [0,0,0,1,0,0|1,0,2]=4 16 B8R1.22 O=C1CCCCCN1 T20386 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.22 O=C1NCCCCC1 T20195 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.22 O=C1NCCCCC1 T32363 [0,0,0,1,0,0|1,0,2]=4 19 B5R0.3 C=CC(=O)C=C T31538 [2,0,0,0,0,0|0,0,2]=4 20 B5R0.3 CCC(O)C=C TN6958 [2,0,0,0,0,0|0,0,2]=4 21 B7R0.2 COC(=O)CC(C)=O T4851 [1,1,0,0,0,0|1,0,1]=4 22 B7R0.10 CCC(O)C(=O)CC T20376 [1,1,0,0,0,0|0,0,2]=4 23 B7R0.6 CC(=O)CCC(O)=O T5551 [1,1,0,0,0,0|2,0,0]=4 24 B7R0.6 CC(=O)NCC(O)=O T4822 [1,1,0,0,0,0|2,0,0]=4 25 B7R0.1 C=CCSSCC=C TN1576 [1,1,0,0,0,0|1,0,1]=4 26 B9R0.7 CC(S)C(=O)NCC(O)=O T1630 [0,2,0,0,0,0|2,0,0]=4 27 B7R1.2 O=C1CCC(=O)O1 T18723 [1,0,0,1,0,0|1,1,0]=4 28 B7R1.2 OC1CCC(=O)N1 TN3117 [1,0,0,1,0,0|2,0,0]=4 29 B7R1.3 O=C1CCCCO1 T4821 [1,0,0,1,0,0|0,1,1]=4 30 B7R1.4 CC1OCCC1=O T8050 [1,0,0,1,0,0|1,0,1]=4 31 B7R1.4 NC1CCSC1=O T5968 [1,0,0,1,0,0|1,0,1]=4 32 B7R1.4 N[C@H]1CCSC1=O T19393 [1,0,0,1,0,0|1,0,1]=4 33 B9R1.69 C[C@@H]1NC(=O)CNC1=O T13629 [0,1,0,1,0,0|2,0,0]=4 34 B9R1.35 C(=O)([C@H]1NC(=O)CC1)O T0507 [0,1,0,1,0,0|2,0,0]=4 35 B9R1.35 O=C(O)C1CCC(N1)=O T9371 [0,1,0,1,0,0|2,0,0]=4 36 B9R1.35 OC(=O)[C@@H]1CCC(=O)N1 T31268 [0,1,0,1,0,0|2,0,0]=4 37 B9R1.35 OC(=O)[C@H]1CCC(=O)N1 T4814 [0,1,0,1,0,0|2,0,0]=4