0 B4R0.2 CSSSC T8034 [0,0,0,0,0,0|3,0,0]=3 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|1,0,0]=2 3 B3R0.1 NCCS T6460 [1,0,0,0,0,0|1,0,0]=2 4 B5R0.1 CC(C)=CCO T4747 [0,1,0,0,0,0|1,0,1]=3 5 B5R0.1 CC(C)\C=N\O T4930 [0,1,0,0,0,0|2,0,1]=4 6 B5R0.1 CCCC(=O)[O-] T1393 [0,1,0,0,0,0|1,0,2]=4 7 B5R0.1 CNCC(=O)O T6975 [0,1,0,0,0,0|1,0,1]=3 8 B5R0.1 C[C@@H](O)CCO T19538 [0,1,0,0,0,0|1,0,0]=2 9 B5R0.1 C\C=C\C(=O)O T5301 [0,1,0,0,0,0|1,0,2]=4 10 B5R0.1 NCCC(=O)O T0627 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.1 NCCS(=O)O T5225 [0,1,0,0,0,0|2,0,1]=4 12 B5R0.1 NOCC(=O)O T5880 [0,1,0,0,0,0|1,1,1]=4 13 B5R0.2 NCCCCN T22213 [0,1,0,0,0,0|2,0,0]=3 14 B5R0.3 CCC(C)C=O T5090 [0,1,0,0,0,0|1,0,2]=4 15 B5R0.3 O=CC(O)CO T4918 [0,1,0,0,0,0|2,0,0]=3 16 B5R0.3 OCC(O)CO T4776 [0,1,0,0,0,0|2,0,0]=3 17 B5R0.3 OCC(S)CS T0781 [0,1,0,0,0,0|2,0,0]=3 18 B5R1.3 ClCC1CO1 T6344 [0,0,0,1,0,0|1,1,0]=3 19 B5R1.3 ClCC1CO1 T6666 [0,0,0,1,0,0|1,1,0]=3 20 B5R1.3 N#CC1CC1 T0536 [0,0,0,1,0,0|2,0,1]=4 21 B2R0.1 CNC T5309 [2,0,0,0,0,0|1,0,0]=3 22 B2R0.1 CON T21320 [2,0,0,0,0,0|1,1,0]=4 23 B4R0.1 CC(=O)NO T1592 [1,1,0,0,0,0|1,0,1]=4 24 B4R0.1 CC(O)CO T5619 [1,1,0,0,0,0|0,0,0]=2 25 B4R0.1 CSC(=N)N T22419 [1,1,0,0,0,0|1,0,1]=4 26 B4R0.1 C\N=[N+](\C)[O-] T13565 [1,1,0,0,0,0|2,0,0]=4 27 B4R0.1 NCC(=O)O T2O2728 [1,1,0,0,0,0|1,0,1]=4 28 B4R0.1 O=C(O)CO T5985 [1,1,0,0,0,0|0,1,1]=4 29 B4R0.1 O=C([O-])CS T8530 [1,1,0,0,0,0|0,0,2]=4 30 B6R0.1 COC(=O)CCN T8097 [0,2,0,0,0,0|1,1,0]=4 31 B6R0.2 CC(C)CC(=O)O T5609 [0,2,0,0,0,0|1,0,1]=4 32 B6R0.2 CC(O)CC(=O)O T4947 [0,2,0,0,0,0|1,0,1]=4 33 B6R0.2 CN(C)CC(=O)O T4120 [0,2,0,0,0,0|1,0,1]=4 34 B6R0.2 C[C@@H](O)CC(=O)O T5248 [0,2,0,0,0,0|1,0,1]=4 35 B6R0.2 C[C@H](O)CC(=O)O T13979 [0,2,0,0,0,0|1,0,1]=4 36 B6R0.3 CC(CO)C(=O)O T19619 [0,2,0,0,0,0|2,0,0]=4 37 B6R0.3 CC[C@@H](N)C(=O)O T19302 [0,2,0,0,0,0|1,0,1]=4 38 B6R0.3 CC[C@H](N)C(=O)O T5306 [0,2,0,0,0,0|1,0,1]=4 39 B6R0.3 NC(CO)C(=O)O T8363 [0,2,0,0,0,0|2,0,0]=4 40 B6R0.3 N[C@@H](CO)C(=O)O T2O2730 [0,2,0,0,0,0|2,0,0]=4 41 B6R0.3 N[C@H](CO)C(=O)O T8394 [0,2,0,0,0,0|2,0,0]=4 42 B6R0.4 C#CCCC(=O)O T0580 [0,2,0,0,0,0|1,0,1]=4 43 B6R0.4 CSCCC(=O)O T5285 [0,2,0,0,0,0|0,0,0]=2 44 B6R0.4 N=C(N)SCCN T7543 [0,2,0,0,0,0|1,0,1]=4 45 B6R0.4 NCCCC(=O)O T0508 [0,2,0,0,0,0|1,0,1]=4 46 B6R0.5 C[N+](C)(C)CCO T1039 [0,2,0,0,0,0|1,0,0]=3 47 B6R0.5 C[N+](C)(C)CCO T14341 [0,2,0,0,0,0|1,0,0]=3 48 B6R0.5 O=S(=O)([O-])CCO T5303 [0,2,0,0,0,0|1,0,1]=4 49 B6R0.6 CC\C=C/CCO T22295 [0,2,0,0,0,0|1,0,0]=3 50 B6R0.6 COCCCCO T7022 [0,2,0,0,0,0|0,1,0]=3 51 B6R0.6 ClCCNCCCl T0565 [0,2,0,0,0,0|2,0,0]=4 52 B6R0.6 NCCCCCN T4895 [0,2,0,0,0,0|2,0,0]=4