0 B4R0.2 CSSSC T8034 [0,0,0,0,0,0|4,0,0]=4 1 B3R0.1 NCCO T22327 [1,0,0,0,0,0|1,0,0]=2 2 B3R0.1 NCCS T1080 [1,0,0,0,0,0|1,1,0]=3 3 B3R0.1 NCCS T6460 [1,0,0,0,0,0|1,1,0]=3 4 B5R0.1 CC(C)=CCO T4747 [0,1,0,0,0,0|0,0,2]=3 5 B5R0.1 CC(C)\C=N\O T4930 [0,1,0,0,0,0|1,0,1]=3 6 B5R0.1 CCCC(=O)[O-] T1393 [0,1,0,0,0,0|0,0,2]=3 7 B5R0.1 CCOC(N)=O T0051 [0,1,0,0,0,0|1,0,2]=4 8 B5R0.1 CCSC(=N)N T22761 [0,1,0,0,0,0|2,0,1]=4 9 B5R0.1 CNCC(=O)O T6975 [0,1,0,0,0,0|1,0,1]=3 10 B5R0.1 C[C@@H](O)CCO T19538 [0,1,0,0,0,0|0,0,0]=1 11 B5R0.1 C\C=C\C(=O)O T5301 [0,1,0,0,0,0|0,0,3]=4 12 B5R0.1 NCCC(=O)O T0627 [0,1,0,0,0,0|1,0,1]=3 13 B5R0.1 NCCS(=O)O T5225 [0,1,0,0,0,0|2,0,0]=3 14 B5R0.1 NOCC(=O)O T5880 [0,1,0,0,0,0|2,0,1]=4 15 B5R0.2 NCCCCN T22213 [0,1,0,0,0,0|1,0,0]=2 16 B5R0.3 CCC(C)C=O T5090 [0,1,0,0,0,0|0,0,2]=3 17 B5R0.3 O=CC(O)CO T4918 [0,1,0,0,0,0|1,0,1]=3 18 B5R0.3 OCC(O)CO T4776 [0,1,0,0,0,0|1,0,0]=2 19 B5R0.3 OCC(S)CS T0781 [0,1,0,0,0,0|1,0,0]=2 20 B5R1.3 ClCC1CO1 T6344 [0,0,0,1,0,0|1,0,0]=2 21 B5R1.3 ClCC1CO1 T6666 [0,0,0,1,0,0|1,0,0]=2 22 B5R1.3 N#CC1CC1 T0536 [0,0,0,1,0,0|1,0,1]=3 23 B2R0.1 CNC T5309 [2,0,0,0,0,0|1,0,0]=3 24 B2R0.1 CON T21320 [2,0,0,0,0,0|2,0,0]=4 25 B4R0.1 CC(=O)NO T1592 [1,1,0,0,0,0|1,0,1]=4 26 B4R0.1 CC(O)CO T5619 [1,1,0,0,0,0|0,0,0]=2 27 B4R0.1 C\N=[N+](\C)[O-] T13565 [1,1,0,0,0,0|2,0,0]=4 28 B4R0.1 NCC(=O)O T2O2728 [1,1,0,0,0,0|1,0,1]=4 29 B4R0.1 O=C(O)CO T5985 [1,1,0,0,0,0|1,0,1]=4 30 B6R0.1 COC(=O)CCN T8097 [0,2,0,0,0,0|1,0,1]=4 31 B6R0.2 CC(C)CC(=O)O T5609 [0,2,0,0,0,0|0,0,1]=3 32 B6R0.2 CC(C)CC(N)=O T0361 [0,2,0,0,0,0|0,0,2]=4 33 B6R0.2 CC(O)CC(=O)O T4947 [0,2,0,0,0,0|0,0,1]=3 34 B6R0.2 CN(C)CC(=O)O T4120 [0,2,0,0,0,0|1,0,1]=4 35 B6R0.2 C[C@@H](O)CC(=O)O T5248 [0,2,0,0,0,0|0,0,1]=3 36 B6R0.2 C[C@H](O)CC(=O)O T13979 [0,2,0,0,0,0|0,0,1]=3 37 B6R0.3 CC(CN)C(=O)O T4887 [0,2,0,0,0,0|1,0,1]=4 38 B6R0.3 CC(CO)C(=O)O T19619 [0,2,0,0,0,0|1,0,1]=4 39 B6R0.3 CCC(=O)C(=O)O T5060 [0,2,0,0,0,0|0,0,2]=4 40 B6R0.3 CCC(O)C(=O)[O-] T4738 [0,2,0,0,0,0|0,0,2]=4 41 B6R0.3 CC[C@@H](N)C(=O)O T19302 [0,2,0,0,0,0|0,0,1]=3 42 B6R0.3 CC[C@H](N)C(=O)O T5306 [0,2,0,0,0,0|0,0,1]=3 43 B6R0.3 C[C@@H](CN)C(=O)O T7357 [0,2,0,0,0,0|1,0,1]=4 44 B6R0.3 NC(CO)C(=O)O T8363 [0,2,0,0,0,0|1,0,1]=4 45 B6R0.3 NC(CS)C(=O)O T8141 [0,2,0,0,0,0|1,0,1]=4 46 B6R0.3 NCC(N)C(=O)O T4755 [0,2,0,0,0,0|1,0,1]=4 47 B6R0.3 NC[C@H](N)C(=O)O T5978 [0,2,0,0,0,0|1,0,1]=4 48 B6R0.3 NC[C@H](N)C(=O)O T7335 [0,2,0,0,0,0|1,0,1]=4 49 B6R0.3 N[C@@H](CCl)C(=O)O T6987 [0,2,0,0,0,0|1,0,1]=4 50 B6R0.3 N[C@@H](CO)C(=O)O T2O2730 [0,2,0,0,0,0|1,0,1]=4 51 B6R0.3 N[C@@H](CS)C(=O)O T2O2721 [0,2,0,0,0,0|1,0,1]=4 52 B6R0.3 N[C@H](CO)C(=O)O T8394 [0,2,0,0,0,0|1,0,1]=4 53 B6R0.4 C#CCCC(=O)O T0580 [0,2,0,0,0,0|0,0,2]=4 54 B6R0.4 CSCCC(=O)O T5285 [0,2,0,0,0,0|0,0,1]=3 55 B6R0.4 NCCCC(=O)O T0508 [0,2,0,0,0,0|0,0,1]=3 56 B6R0.5 C[N+](C)(C)CCO T1039 [0,2,0,0,0,0|1,0,0]=3 57 B6R0.5 C[N+](C)(C)CCO T14341 [0,2,0,0,0,0|1,0,0]=3 58 B6R0.5 NCCP(=O)(O)O T4703 [0,2,0,0,0,0|2,0,0]=4 59 B6R0.5 NCCS(=O)(=O)O T0022 [0,2,0,0,0,0|2,0,0]=4 60 B6R0.5 O=S(=O)([O-])CCO T5303 [0,2,0,0,0,0|2,0,0]=4 61 B6R0.6 CC\C=C/CCO T22295 [0,2,0,0,0,0|0,0,0]=2 62 B6R0.6 COCCCCO T7022 [0,2,0,0,0,0|0,0,0]=2 63 B6R0.6 ClCCNCCCl T0565 [0,2,0,0,0,0|1,0,0]=3 64 B6R0.6 NCCCCCN T4895 [0,2,0,0,0,0|1,0,0]=3