0 B7R0.5 CCCC(=O)C(O)=O T13484 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.5 CCOC(=O)C(C)=O T8030 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.1 COC(=O)CCN T8097 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.1 NCC(=O)O[Ru]Cl T6454 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.3 CCC(=O)C(O)=O T5060 [1,0,0,0,0,0|2,0,1]=4 5 B8R0.8 CCCOC(=O)C(C)=C T20387 [0,1,0,0,0,0|0,0,2]=3 6 B8R1.5 CC1CCCCC1=O T36789 [0,0,0,1,0,0|1,0,0]=2 7 B8R1.5 NC1CCCNC1=O T13495 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.18 CC1OC(C)=CC1=O T22309 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.19 CC1(C)CCC=[N+]1[O-] T22739 [0,0,0,1,0,0|2,0,1]=4 10 B8R0.5 CCOC(=O)CC(C)=O T15254 [0,0,0,0,0,1|1,0,1]=3 11 B8R0.5 CCOC(=O)CC(C)O T19314 [0,0,0,0,0,1|1,0,0]=2 12 B8R0.5 CCOC(=O)CC(O)=O T4773 [0,0,0,0,0,1|2,0,1]=4 13 B8R0.5 CCOC(=O)CC([O-])=O T22328 [0,0,0,0,0,1|2,0,1]=4 14 B5R0.1 CC(C)=CCO T4747 [2,0,0,0,0,0|1,0,1]=4 15 B5R0.1 CC(C)C=NO T4930 [2,0,0,0,0,0|2,0,0]=4 16 B5R0.1 CCCC([O-])=O T1393 [2,0,0,0,0,0|2,0,0]=4 17 B5R0.1 CCOC(N)=O T0051 [2,0,0,0,0,0|1,0,0]=3 18 B5R0.5 CC(=O)C(O)=O T4804 [2,0,0,0,0,0|1,0,1]=4 19 B5R0.5 CC(O)C(O)=O TN6945 [2,0,0,0,0,0|1,0,0]=3 20 B5R0.5 CC(O)C([O-])=O T20574 [2,0,0,0,0,0|1,0,1]=4 21 B5R0.5 CC(O)C([O-])=O T32809 [2,0,0,0,0,0|1,0,1]=4 22 B5R0.5 CC(O)C([O-])=O T5220 [2,0,0,0,0,0|1,0,1]=4 23 B5R0.5 CN(C)C(C)=O T19439 [2,0,0,0,0,0|1,0,0]=3 24 B5R0.5 C[C@@H](N)C(O)=O T4811 [2,0,0,0,0,0|1,0,0]=3 25 B5R0.5 C[C@@H](O)C(O)=O T10943 [2,0,0,0,0,0|1,0,0]=3 26 B5R0.5 C[C@H](N)C(O)=O TJO2729 [2,0,0,0,0,0|1,0,0]=3 27 B5R0.5 C[C@H](N)C(O)=O TN1003 [2,0,0,0,0,0|1,0,0]=3 28 B5R0.5 C[C@H](O)C(O)=O T4845 [2,0,0,0,0,0|1,0,0]=3 29 B5R0.5 C[C@H](O)C([O-])=O T4103 [2,0,0,0,0,0|1,0,1]=4 30 B5R0.5 O=C(O)[C@H](C)N T34103 [2,0,0,0,0,0|1,0,0]=3 31 B5R0.5 OC(=O)C(Cl)Br T9288 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.3 COC(=O)CCCN T22364 [1,1,0,0,0,0|2,0,0]=4 33 B7R0.10 CCC(O)C(=O)CC T20376 [1,1,0,0,0,0|1,0,0]=3 34 B7R0.16 CC(C)C(=O)C(O)=O T5232 [1,1,0,0,0,0|1,0,1]=4 35 B9R0.6 CCOC(=O)C(Cl)C(C)=O T26408 [0,1,0,0,0,1|1,0,1]=4 36 B9R0.23 CC(C)OC(=O)[C@@H](N)CS T31157 [0,1,0,0,0,1|2,0,0]=4 37 B9R0.47 CCCCOC(=O)C(Cl)Cl T30633 [0,2,0,0,0,0|2,0,0]=4 38 B7R1.2 CC1=CCC(=O)O1 T7995 [1,0,0,1,0,0|0,0,2]=4 39 B7R1.2 O=C1CCC(=O)O1 T18723 [1,0,0,1,0,0|1,0,1]=4 40 B7R1.2 OC1CCC(=O)N1 TN3117 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.3 O=C1CCCCO1 T4821 [1,0,0,1,0,0|0,0,0]=2 42 B7R1.3 O=C1OCCCO1 T21150 [1,0,0,1,0,0|1,0,0]=3 43 B7R1.4 C=C1CCOC1=O T5320 [1,0,0,1,0,0|0,0,2]=4 44 B7R1.4 CC1OCCC1=O T8050 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.4 CN1CCCC1=O T5851 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.4 NC1CCSC1=O T5968 [1,0,0,1,0,0|1,1,0]=4 47 B7R1.4 N[C@H]1CCSC1=O T19393 [1,0,0,1,0,0|1,1,0]=4 48 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,0,0,1,0,1|1,0,0]=3 49 B9R1.3 OC1CCNC(=O)C1Cl TMA0098 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.37 CC1OC(=O)C(O)=C1C TN7031 [0,1,0,1,0,0|1,0,1]=4 51 B9R1.138 CC1(C)COC(=O)C1=O T20466 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.106 C[C@@]1(O)[C@H](O)COC1=O TN2750 [0,1,0,1,0,0|1,0,0]=3 53 B9R2.39 O=C1CC2CCC1C2 TN4667 [0,0,0,2,0,0|1,0,0]=3