0 B3R0.1 NCCO T22327 [0,0,0,0,0,0|3,0,0]=3 1 B3R0.1 NCCS T1080 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.1 NCCS T6460 [0,0,0,0,0,0|3,0,0]=3 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|1,1,0]=3 5 B2R0.1 Cl[Pt]Cl T1564 [1,0,0,0,0,0|3,0,0]=4 6 B2R0.1 NC=O T4767 [1,0,0,0,0,0|1,1,1]=4 7 B2R0.1 O=[Si]=O T1397 [1,0,0,0,0,0|1,2,0]=4 8 B2R0.1 O=[Si]=O T34642 [1,0,0,0,0,0|1,2,0]=4 9 B2R0.1 S=[Mo]=S T19986 [1,0,0,0,0,0|2,0,1]=4 10 B2R0.1 [O-]C=O T5300 [1,0,0,0,0,0|1,1,1]=4 11 B4R0.1 CC(=O)C=O T19536 [0,1,0,0,0,0|2,0,1]=4 12 B4R0.1 CC(=O)NO T1592 [0,1,0,0,0,0|2,0,1]=4 13 B4R0.1 CC(N)C=O T29820 [0,1,0,0,0,0|2,0,0]=3 14 B4R0.1 CC(N)CO T27792 [0,1,0,0,0,0|2,0,0]=3 15 B4R0.1 CNC(N)=N T4904 [0,1,0,0,0,0|2,0,1]=4 16 B4R0.1 CNC([S-])=S T20178 [0,1,0,0,0,0|2,0,1]=4 17 B4R0.1 COC(C)=N T24458 [0,1,0,0,0,0|0,1,1]=3 18 B4R0.1 COC(N)=O T2151 [0,1,0,0,0,0|1,1,1]=4 19 B4R0.1 CSC(N)=N T22419 [0,1,0,0,0,0|1,0,1]=3 20 B4R0.1 C[C@H](O)CO T12810 [0,1,0,0,0,0|2,0,0]=3 21 B4R0.1 N(C(N)=N)C T21215 [0,1,0,0,0,0|2,0,1]=4 22 B4R0.1 NC(=O)CI T8897 [0,1,0,0,0,0|3,0,0]=4 23 B4R0.1 NCC(N)=O T3127 [0,1,0,0,0,0|3,0,0]=4 24 B4R0.1 NCC(O)=O T2O2728 [0,1,0,0,0,0|3,0,0]=4 25 B4R0.1 NCC([O-])=O T4505 [0,1,0,0,0,0|3,0,0]=4 26 B4R0.1 NCC([O-])=O T4512 [0,1,0,0,0,0|3,0,0]=4 27 B4R0.1 OCC(O)=O T5985 [0,1,0,0,0,0|3,0,0]=4 28 B4R0.1 [O-]C(=O)CS T8530 [0,1,0,0,0,0|3,0,0]=4 29 B4R0.1 [O-]CC([O-])=O T2410 [0,1,0,0,0,0|3,0,0]=4 30 B4R0.2 CCNCC T31448 [0,1,0,0,0,0|1,0,0]=2 31 B4R0.2 CCNCC T9038 [0,1,0,0,0,0|1,0,0]=2 32 B4R0.2 CNCCO TN2779 [0,1,0,0,0,0|1,0,0]=2 33 B4R0.2 CSCC=C T5579 [0,1,0,0,0,0|0,0,1]=2 34 B4R0.2 CSSSC T8034 [0,1,0,0,0,0|1,0,0]=2 35 B4R0.2 NCCC#N T13475 [0,1,0,0,0,0|2,0,0]=3 36 B4R0.2 OCCCO T40585 [0,1,0,0,0,0|2,0,0]=3 37 B4R1.2 CC1OC1 T19524 [0,0,0,1,0,0|0,1,0]=2 38 B1R0.1 NO T11587 [2,0,0,0,0,0|1,1,0]=4 39 B1R0.1 NO T8894 [2,0,0,0,0,0|1,1,0]=4 40 B3R0.2 CC(N)=S T35367 [1,1,0,0,0,0|0,0,2]=4 41 B3R0.2 CC([O-])=O T23377 [1,1,0,0,0,0|0,1,1]=4 42 B3R0.2 CC([O-])=O T35375 [1,1,0,0,0,0|0,1,1]=4 43 B3R0.2 CC([O-])=O T8129 [1,1,0,0,0,0|0,1,1]=4 44 B3R0.2 CC([O-])C T19372 [1,1,0,0,0,0|0,0,0]=2 45 B3R0.2 CC([S-])=O T22402 [1,1,0,0,0,0|0,0,2]=4 46 B3R0.2 CN(C)C T4827 [1,1,0,0,0,0|1,0,0]=3 47 B5R0.1 CC(C)=CCO T4747 [0,2,0,0,0,0|1,0,1]=4 48 B5R0.1 CC(C)C=NO T4930 [0,2,0,0,0,0|2,0,0]=4 49 B5R0.1 CCCC([O-])=O T1393 [0,2,0,0,0,0|1,0,1]=4 50 B5R0.1 CCOC(N)=O T0051 [0,2,0,0,0,0|0,1,1]=4 51 B5R0.1 CCSC(N)=N T22761 [0,2,0,0,0,0|0,0,1]=3 52 B5R0.1 CN(C)CC=O T19099 [0,2,0,0,0,0|1,0,1]=4 53 B5R0.1 CN(C)CC=O T19100 [0,2,0,0,0,0|1,0,1]=4 54 B5R0.1 CNCC(O)=O T6975 [0,2,0,0,0,0|1,0,1]=4 55 B5R0.1 C[C@@H](CCO)O T9257 [0,2,0,0,0,0|1,0,0]=3 56 B5R0.1 C[C@@H](O)CCO T19538 [0,2,0,0,0,0|1,0,0]=3 57 B5R0.1 NCCC(O)=O T0627 [0,2,0,0,0,0|2,0,0]=4 58 B5R0.1 NCCP(O)=O TN2749 [0,2,0,0,0,0|2,0,0]=4 59 B5R0.1 NCCS(O)=O T5225 [0,2,0,0,0,0|1,0,1]=4 60 B5R0.3 CC(CCl)CCl T31230 [0,2,0,0,0,0|2,0,0]=4 61 B5R0.3 CCC(C)C=O T5090 [0,2,0,0,0,0|1,0,0]=3 62 B5R0.3 CCC(O)C=C TN6958 [0,2,0,0,0,0|1,0,1]=4 63 B5R0.3 CNC(=S)NC T40615 [0,2,0,0,0,0|1,0,1]=4 64 B5R0.3 NC[C@@H](O)CCl T21259 [0,2,0,0,0,0|2,0,0]=4 65 B5R0.3 OCC(O)C=O T4918 [0,2,0,0,0,0|2,0,0]=4 66 B5R0.3 OCC(O)CO T4776 [0,2,0,0,0,0|2,0,0]=4 67 B5R0.3 OCC(S)CS T0781 [0,2,0,0,0,0|2,0,0]=4 68 B5R0.5 CC(O)C(C)O T19094 [0,2,0,0,0,0|1,0,0]=3 69 B5R0.5 CC(O)C(O)=O TN6945 [0,2,0,0,0,0|2,0,0]=4 70 B5R0.5 CC(O)C([O-])=O T20574 [0,2,0,0,0,0|2,0,0]=4 71 B5R0.5 CC(O)C([O-])=O T32809 [0,2,0,0,0,0|2,0,0]=4 72 B5R0.5 CC(O)C([O-])=O T5220 [0,2,0,0,0,0|2,0,0]=4 73 B5R0.5 CN(C)C(C)=O T19439 [0,2,0,0,0,0|1,0,1]=4 74 B5R0.5 C[C@@H](N)C(O)=O T4811 [0,2,0,0,0,0|2,0,0]=4 75 B5R0.5 C[C@@H](O)C(O)=O T10943 [0,2,0,0,0,0|2,0,0]=4 76 B5R0.5 C[C@@H](O)[C@@H](C)O T4751 [0,2,0,0,0,0|1,0,0]=3 77 B5R0.5 C[C@H](N)C(O)=O TJO2729 [0,2,0,0,0,0|2,0,0]=4 78 B5R0.5 C[C@H](N)C(O)=O TN1003 [0,2,0,0,0,0|2,0,0]=4 79 B5R0.5 C[C@H](O)C(O)=O T4845 [0,2,0,0,0,0|2,0,0]=4 80 B5R0.5 C[C@H](O)C([O-])=O T4103 [0,2,0,0,0,0|2,0,0]=4 81 B5R0.5 O=C(O)[C@H](C)N T34103 [0,2,0,0,0,0|2,0,0]=4 82 B5R0.2 CCCSSC T39668 [0,2,0,0,0,0|0,0,0]=2 83 B5R0.2 NCCCCN T22213 [0,2,0,0,0,0|1,0,0]=3 84 B5R1.3 ClCC1CO1 T6344 [0,1,0,1,0,0|0,1,0]=3 85 B5R1.3 ClCC1CO1 T6666 [0,1,0,1,0,0|0,1,0]=3 86 B5R1.3 N#CC1CC1 T0536 [0,1,0,1,0,0|1,0,1]=4 87 B5R1.1 C1CC=CO1 T0654 [0,1,0,1,0,0|0,1,1]=4