0 B3R0.1 NCCO T22327 [0,0,0,0,0,0|1,1,0]=2 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|2,0,0]=3 4 B2R0.1 CON T21320 [1,0,0,0,0,0|2,0,0]=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|0,3,0]=4 8 B2R0.1 O=[Si]=O T34642 [1,0,0,0,0,0|0,3,0]=4 9 B2R0.1 S=[Mo]=S T19986 [1,0,0,0,0,0|1,0,2]=4 10 B2R0.1 [O-]C=O T5300 [1,0,0,0,0,0|0,2,1]=4 11 B4R0.1 CC(N)C=O T29820 [0,1,0,0,0,0|1,1,1]=4 12 B4R0.1 CC(N)CO T27792 [0,1,0,0,0,0|1,1,0]=3 13 B4R0.1 C[C@H](O)CO T12810 [0,1,0,0,0,0|0,2,0]=3 14 B4R0.1 NC(=O)CI T8897 [0,1,0,0,0,0|1,1,1]=4 15 B4R0.1 NCC(N)=O T3127 [0,1,0,0,0,0|1,1,1]=4 16 B4R0.1 NCC(O)=O T2O2728 [0,1,0,0,0,0|1,1,1]=4 17 B4R0.1 NCC([O-])=O T4505 [0,1,0,0,0,0|1,1,1]=4 18 B4R0.1 NCC([O-])=O T4512 [0,1,0,0,0,0|1,1,1]=4 19 B4R0.1 OCC(O)=O T5985 [0,1,0,0,0,0|0,2,1]=4 20 B4R0.1 [O-]C(=O)CS T8530 [0,1,0,0,0,0|0,1,1]=3 21 B4R0.1 [O-]CC([O-])=O T2410 [0,1,0,0,0,0|0,2,1]=4 22 B4R0.2 CCNCC T31448 [0,1,0,0,0,0|2,0,0]=3 23 B4R0.2 CCNCC T9038 [0,1,0,0,0,0|2,0,0]=3 24 B4R0.2 CNCCO TN2779 [0,1,0,0,0,0|1,1,0]=3 25 B4R0.2 CSCC=C T5579 [0,1,0,0,0,0|1,0,1]=3 26 B4R0.2 CSSSC T8034 [0,1,0,0,0,0|3,0,0]=4 27 B4R0.2 NCCC#N T13475 [0,1,0,0,0,0|2,0,0]=3 28 B4R0.2 OCCCO T40585 [0,1,0,0,0,0|0,2,0]=3 29 B4R1.2 CC1OC1 T19524 [0,0,0,1,0,0|1,1,0]=3 30 B1R0.1 NO T11587 [2,0,0,0,0,0|1,1,0]=4 31 B1R0.1 NO T8894 [2,0,0,0,0,0|1,1,0]=4 32 B3R0.2 CC(N)=S T35367 [1,1,0,0,0,0|0,0,2]=4 33 B3R0.2 CC([O-])=O T23377 [1,1,0,0,0,0|0,1,1]=4 34 B3R0.2 CC([O-])=O T35375 [1,1,0,0,0,0|0,1,1]=4 35 B3R0.2 CC([O-])=O T8129 [1,1,0,0,0,0|0,1,1]=4 36 B3R0.2 CC([O-])C T19372 [1,1,0,0,0,0|0,1,0]=3 37 B3R0.2 CC([S-])=O T22402 [1,1,0,0,0,0|0,0,2]=4 38 B3R0.2 CN(C)C T4827 [1,1,0,0,0,0|2,0,0]=4 39 B5R0.1 CCCC([O-])=O T1393 [0,2,0,0,0,0|1,1,0]=4 40 B5R0.1 C[C@@H](CCO)O T9257 [0,2,0,0,0,0|0,2,0]=4 41 B5R0.1 C[C@@H](O)CCO T19538 [0,2,0,0,0,0|0,2,0]=4 42 B5R0.1 NCCC(O)=O T0627 [0,2,0,0,0,0|1,1,0]=4 43 B5R0.1 NCCP(O)=O TN2749 [0,2,0,0,0,0|1,1,0]=4 44 B5R0.1 NCCS(O)=O T5225 [0,2,0,0,0,0|1,0,1]=4 45 B5R0.3 CC(CCl)CCl T31230 [0,2,0,0,0,0|2,0,0]=4 46 B5R0.3 CCC(C)C=O T5090 [0,2,0,0,0,0|1,1,0]=4 47 B5R0.3 CCC(O)C=C TN6958 [0,2,0,0,0,0|1,1,0]=4 48 B5R0.3 NC[C@@H](O)CCl T21259 [0,2,0,0,0,0|1,1,0]=4 49 B5R0.3 OCC(O)C=O T4918 [0,2,0,0,0,0|0,2,0]=4 50 B5R0.3 OCC(O)CO T4776 [0,2,0,0,0,0|0,2,0]=4 51 B5R0.3 OCC(S)CS T0781 [0,2,0,0,0,0|0,0,0]=2 52 B5R0.4 OCC(Br)(Br)Br T0807 [0,2,0,0,0,0|1,1,0]=4 53 B5R0.4 OCC(Cl)(Cl)Cl T37709 [0,2,0,0,0,0|1,1,0]=4 54 B5R0.5 CC(O)C(C)O T19094 [0,2,0,0,0,0|0,2,0]=4 55 B5R0.5 C[C@@H](O)[C@@H](C)O T4751 [0,2,0,0,0,0|0,2,0]=4 56 B5R0.2 CCCSSC T39668 [0,2,0,0,0,0|1,0,0]=3 57 B5R0.2 NCCCCN T22213 [0,2,0,0,0,0|2,0,0]=4 58 B5R1.3 ClCC1CO1 T6344 [0,1,0,1,0,0|1,1,0]=4 59 B5R1.3 ClCC1CO1 T6666 [0,1,0,1,0,0|1,1,0]=4 60 B5R1.3 N#CC1CC1 T0536 [0,1,0,1,0,0|2,0,0]=4 61 B5R1.1 C1CC=CO1 T0654 [0,1,0,1,0,0|1,1,0]=4