0 B9R1.37 CC1OC(=O)C(O)=C1C TN7031 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.37 CC1OC(C)=C(O)C1=O T5547 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.18 CC1=CC(=O)OC1=O TN6957 [1,0,0,0,0,0|1,0,1]=3 3 B8R1.18 CC1=C[C@@H](O)NC1=O T32272 [1,0,0,0,0,0|3,0,0]=4 4 B8R1.18 CC1OC(C)=CC1=O T22309 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.34 O=C1[C@H](O)[C@H](O)[C@@H](CO)O1 T10941 [0,1,0,0,0,0|1,0,2]=4 6 B10R1.256 COC1=C(C)OC(C)C1=O TN6839 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.271 CN1C(=O)OC(C)(C)C1=O T0283 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.2 C(=O)([C@@H](N)[C@H](CC)C)O T0063 [0,0,1,0,0,0|1,0,2]=4 9 B8R0.2 CCC(C)C(=O)C(O)=O T8264 [0,0,1,0,0,0|0,0,2]=3 10 B8R0.2 CC[C@@H](C)[C@H](C(O)=O)N T9143 [0,0,1,0,0,0|1,0,2]=4 11 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O T5219 [0,0,1,0,0,0|1,0,2]=4 12 B8R0.2 CC[C@H](C)[C@H](N)C(O)=O T30575 [0,0,1,0,0,0|1,0,2]=4 13 B10R1.118 C[C@H]1OC(=O)[C@@H](C)OC1=O T7933 [0,0,0,0,0,1|2,0,1]=4 14 B10R1.119 Cc1c(O)c(=O)ccn1C T1565 [0,0,0,0,0,1|2,0,0]=3 15 B7R0.2 CCC(C)CC(O)=O T19122 [1,0,1,0,0,0|0,0,2]=4 16 B7R0.5 CC/C=C(\C)C(O)=O T8052 [1,0,1,0,0,0|1,0,0]=3 17 B7R0.5 CCCC(=O)C(O)=O T13484 [1,0,1,0,0,0|0,0,2]=4 18 B7R0.5 CCOC(=O)C(C)=O T8030 [1,0,1,0,0,0|0,0,1]=3 19 B7R0.10 CCC(O)C(=O)CC T20376 [1,0,1,0,0,0|0,0,2]=4 20 B7R0.16 CC(C)C(=O)C(O)=O T5232 [1,0,1,0,0,0|0,0,2]=4 21 B7R0.16 CC(C)C(O)C(O)=O T5273 [1,0,1,0,0,0|0,0,2]=4 22 B7R0.16 C[C@@H](O)[C@H](N)C(O)=O T2O2777 [1,0,1,0,0,0|1,0,1]=4 23 B7R0.16 C[C@@H]([C@H](C(O)=O)N)O T40729 [1,0,1,0,0,0|1,0,1]=4 24 B7R0.16 C[C@H](O)[C@H](N)C(O)=O T5076 [1,0,1,0,0,0|1,0,1]=4 25 B7R0.16 N[C@@H]([C@H](O)C)C(O)=O T13656 [1,0,1,0,0,0|1,0,1]=4 26 B7R0.16 O=C([C@@H]([C@@H](O)C)N)O T21248 [1,0,1,0,0,0|1,0,1]=4 27 B7R1.2 C=C1OC(=O)C=C1 TN2420 [2,0,0,0,0,0|0,0,2]=4 28 B7R1.2 CC1=CCC(=O)O1 T7995 [2,0,0,0,0,0|0,0,2]=4 29 B7R1.4 C=C1CCOC1=O T5320 [2,0,0,0,0,0|1,0,1]=4 30 B9R0.42 O=C(O)C(C)OC(CO)=O T19521 [0,1,1,0,0,0|1,0,1]=4 31 B9R1.38 CC1(C)OC(=O)NC1=O T1234 [1,1,0,0,0,0|2,0,0]=4 32 B9R1.138 CC1(C)COC(=O)C1=O T20466 [1,1,0,0,0,0|0,0,2]=4 33 B9R1.138 CC1(C)COC(=O)[C@@H]1O T4828 [1,1,0,0,0,0|0,0,2]=4