0 B3R0.1 NCCO T22327 [0,0,0,0,0,0|1,0,0]=1 1 B3R0.1 NCCS T1080 [0,0,0,0,0,0|1,0,0]=1 2 B3R0.1 NCCS T6460 [0,0,0,0,0,0|1,0,0]=1 3 B2R0.1 CNC T5309 [1,0,0,0,0,0|1,0,0]=2 4 B2R0.1 CON T21320 [1,0,0,0,0,0|1,0,0]=2 5 B2R0.1 Cl[Pt]Cl T1564 [1,0,0,0,0,0|3,0,0]=4 6 B2R0.1 N#C[S-] T8033 [1,0,0,0,0,0|1,0,2]=4 7 B2R0.1 NC=O T4767 [1,0,0,0,0,0|1,0,1]=3 8 B2R0.1 O=C[O-] T5300 [1,0,0,0,0,0|2,0,1]=4 9 B2R0.1 O=[Si]=O T0422 [1,0,0,0,0,0|2,1,0]=4 10 B4R0.1 CC(=O)C=O T19536 [0,1,0,0,0,0|1,0,2]=4 11 B4R0.1 CC(=O)NO T1592 [0,1,0,0,0,0|2,0,1]=4 12 B4R0.1 CC(O)CO T5619 [0,1,0,0,0,0|1,0,0]=2 13 B4R0.1 CNC(=N)N T21215 [0,1,0,0,0,0|1,0,1]=3 14 B4R0.1 CNC(=N)N T4904 [0,1,0,0,0,0|1,0,1]=3 15 B4R0.1 COC(N)=O T2151 [0,1,0,0,0,0|1,0,1]=3 16 B4R0.1 CSC(=N)N T22419 [0,1,0,0,0,0|1,0,1]=3 17 B4R0.1 C\N=[N+](\C)[O-] T13565 [0,1,0,0,0,0|3,0,0]=4 18 B4R0.1 N=C(N)NN T0358 [0,1,0,0,0,0|2,0,1]=4 19 B4R0.1 NC(=O)NO T0676 [0,1,0,0,0,0|2,0,1]=4 20 B4R0.1 NCC(=O)O T2O2728 [0,1,0,0,0,0|1,0,1]=3 21 B4R0.1 NCC(=O)[O-] T4505 [0,1,0,0,0,0|1,0,1]=3 22 B4R0.1 NCC(=O)[O-] T4512 [0,1,0,0,0,0|1,0,1]=3 23 B4R0.1 NCC(N)=O T3127 [0,1,0,0,0,0|1,0,1]=3 24 B4R0.1 NNC(N)=O T1732 [0,1,0,0,0,0|2,0,1]=4 25 B4R0.1 O=C(O)CO T5985 [0,1,0,0,0,0|2,0,1]=4 26 B4R0.1 O=C([O-])CS T8530 [0,1,0,0,0,0|2,0,1]=4 27 B4R0.1 O=C([O-])C[O-] T2410 [0,1,0,0,0,0|2,0,1]=4 28 B4R0.2 CSSSC T8034 [0,1,0,0,0,0|3,0,0]=4 29 B1R0.1 CN T5307 [2,0,0,0,0,0|0,0,0]=2 30 B1R0.1 NO T11587 [2,0,0,0,0,0|1,0,0]=3 31 B3R0.2 CC(=O)[O-] T8129 [1,1,0,0,0,0|1,0,1]=4 32 B3R0.2 CC(=O)[S-] T22402 [1,1,0,0,0,0|1,0,1]=4 33 B3R0.2 CC(N)=O T7445 [1,1,0,0,0,0|0,0,1]=3 34 B3R0.2 CN(C)C T4827 [1,1,0,0,0,0|1,0,0]=3 35 B3R0.2 CS(C)=O T0341 [1,1,0,0,0,0|1,0,0]=3 36 B3R0.2 N=C(N)N T0415 [1,1,0,0,0,0|1,0,1]=4 37 B3R0.2 NC(N)=O T0738 [1,1,0,0,0,0|1,0,1]=4 38 B5R0.1 CC(C)=CCO T4747 [0,2,0,0,0,0|1,0,1]=4 39 B5R0.1 CC(C)\C=N\O T4930 [0,2,0,0,0,0|0,0,2]=4 40 B5R0.1 CCCC(=O)[O-] T1393 [0,2,0,0,0,0|1,0,0]=3 41 B5R0.1 CCOC(N)=O T0051 [0,2,0,0,0,0|0,0,1]=3 42 B5R0.1 CCSC(=N)N T22761 [0,2,0,0,0,0|0,0,1]=3 43 B5R0.1 CNCC(=O)O T6975 [0,2,0,0,0,0|1,0,1]=4 44 B5R0.1 C[C@@H](O)CCO T19538 [0,2,0,0,0,0|1,0,0]=3 45 B5R0.1 NCCC(=O)O T0627 [0,2,0,0,0,0|0,0,1]=3 46 B5R0.1 NCCS(=O)O T5225 [0,2,0,0,0,0|1,0,0]=3 47 B5R0.1 NOCC(=O)O T5880 [0,2,0,0,0,0|1,0,1]=4 48 B5R0.3 CCC(C)C=O T5090 [0,2,0,0,0,0|1,0,0]=3 49 B5R0.3 O=CC(O)CO T4918 [0,2,0,0,0,0|1,0,1]=4 50 B5R0.3 OCC(O)CO T4776 [0,2,0,0,0,0|1,0,0]=3 51 B5R0.3 OCC(S)CS T0781 [0,2,0,0,0,0|1,0,0]=3 52 B5R0.4 OCC(Br)(Br)Br T0807 [0,2,0,0,0,0|2,0,0]=4 53 B5R0.5 C[C@@H](N)C(=O)O T4811 [0,2,0,0,0,0|1,0,1]=4 54 B5R0.5 C[C@@H](O)C(=O)O T10943 [0,2,0,0,0,0|1,0,1]=4 55 B5R0.5 C[C@@H](O)C(=O)[O-] T5220 [0,2,0,0,0,0|1,0,1]=4 56 B5R0.5 C[C@@H](O)[C@@H](C)O T4751 [0,2,0,0,0,0|1,0,0]=3 57 B5R0.5 C[C@H](N)C(=O)O TJO2729 [0,2,0,0,0,0|1,0,1]=4 58 B5R0.5 C[C@H](N)C(=O)O TN1003 [0,2,0,0,0,0|1,0,1]=4 59 B5R0.5 C[C@H](O)C(=O)O T4845 [0,2,0,0,0,0|1,0,1]=4 60 B5R0.5 C[C@H](O)C(=O)[O-] T4103 [0,2,0,0,0,0|1,0,1]=4 61 B5R0.2 NCCCCN T22213 [0,2,0,0,0,0|0,0,0]=2 62 B5R1.3 ClCC1CO1 T6344 [0,1,0,1,0,0|1,0,0]=3 63 B5R1.3 ClCC1CO1 T6666 [0,1,0,1,0,0|1,0,0]=3 64 B5R1.3 N#CC1CC1 T0536 [0,1,0,1,0,0|0,0,1]=3