0 B4R0.2 CCNCC T31448 [0,0,0,0,0,0|1,0,0]=1 1 B4R0.2 CCNCC T9038 [0,0,0,0,0,0|1,0,0]=1 2 B4R0.2 CNCCO TN2779 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.2 CSCC=C T5579 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.2 CSSSC T8034 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.2 NCCC#N T13475 [0,0,0,0,0,0|3,0,1]=4 6 B4R0.2 OCCCO T40585 [0,0,0,0,0,0|3,0,0]=3 7 B3R0.1 NCCO T22327 [1,0,0,0,0,0|2,0,0]=3 8 B3R0.1 NCCS T1080 [1,0,0,0,0,0|2,0,0]=3 9 B3R0.1 NCCS T6460 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 CC(C)=CCO T4747 [0,1,0,0,0,0|2,0,1]=4 11 B5R0.1 CC(C)C=NO T4930 [0,1,0,0,0,0|3,0,0]=4 12 B5R0.1 CCCC([O-])=O T1393 [0,1,0,0,0,0|2,0,1]=4 13 B5R0.1 CCOC(N)=O T0051 [0,1,0,0,0,0|1,1,1]=4 14 B5R0.1 CCSC(N)=N T22761 [0,1,0,0,0,0|1,0,1]=3 15 B5R0.1 C[C@@H](CCO)O T9257 [0,1,0,0,0,0|2,0,0]=3 16 B5R0.1 C[C@@H](O)CCO T19538 [0,1,0,0,0,0|2,0,0]=3 17 B5R0.2 CCCSSC T39668 [0,1,0,0,0,0|1,0,0]=2 18 B5R0.2 NCCCCN T22213 [0,1,0,0,0,0|2,0,0]=3 19 B5R0.3 CC(CCl)CCl T31230 [0,1,0,0,0,0|3,0,0]=4 20 B5R0.3 CCC(C)C=O T5090 [0,1,0,0,0,0|2,0,1]=4 21 B5R0.3 CCC(O)C=C TN6958 [0,1,0,0,0,0|1,0,2]=4 22 B5R0.3 CNC(=S)NC T40615 [0,1,0,0,0,0|3,0,0]=4 23 B5R0.3 NC[C@@H](O)CCl T21259 [0,1,0,0,0,0|3,0,0]=4 24 B5R0.3 OCC(O)CO T4776 [0,1,0,0,0,0|3,0,0]=4 25 B5R0.3 OCC(S)CS T0781 [0,1,0,0,0,0|3,0,0]=4 26 B5R1.1 C1CC=CO1 T0654 [0,0,0,1,0,0|0,1,2]=4 27 B5R1.3 ClCC1CO1 T6344 [0,0,0,1,0,0|3,0,0]=4 28 B5R1.3 ClCC1CO1 T6666 [0,0,0,1,0,0|3,0,0]=4 29 B5R1.3 N#CC1CC1 T0536 [0,0,0,1,0,0|2,0,1]=4 30 B2R0.1 CNC T5309 [2,0,0,0,0,0|1,0,0]=3 31 B2R0.1 CON T21320 [2,0,0,0,0,0|1,1,0]=4 32 B4R0.1 CC(N)C=O T29820 [1,1,0,0,0,0|1,0,1]=4 33 B4R0.1 CC(N)CO T27792 [1,1,0,0,0,0|1,0,0]=3 34 B4R0.1 COC(C)=N T24458 [1,1,0,0,0,0|0,1,1]=4 35 B4R0.1 CSC(N)=N T22419 [1,1,0,0,0,0|1,0,1]=4 36 B4R0.1 C[C@H](O)CO T12810 [1,1,0,0,0,0|1,0,0]=3 37 B6R0.1 COC(=O)CCN T8097 [0,2,0,0,0,0|2,0,0]=4 38 B6R0.2 CC(C)SC(N)=N T23300 [0,2,0,0,0,0|1,0,1]=4 39 B6R0.4 CC(C)CCC=O T20931 [0,2,0,0,0,0|1,0,1]=4 40 B6R0.4 CCOCC(O)=O T37501 [0,2,0,0,0,0|0,1,1]=4 41 B6R0.4 CN(C)NCCCl T32428 [0,2,0,0,0,0|2,0,0]=4 42 B6R0.4 NCCSC(N)=N T7543 [0,2,0,0,0,0|1,0,1]=4 43 B6R0.6 CC/C=C\CCO T22295 [0,2,0,0,0,0|1,0,0]=3 44 B6R0.6 CCC/C=C/CO TN5162 [0,2,0,0,0,0|1,0,1]=4 45 B6R0.6 CCCCCCO TN6891 [0,2,0,0,0,0|1,0,0]=3 46 B6R0.6 CCCCN=C=S TN6757 [0,2,0,0,0,0|1,0,1]=4 47 B6R0.6 ClCCCCC#N T20456 [0,2,0,0,0,0|1,0,1]=4 48 B6R0.6 ClCCNCCCl T0565 [0,2,0,0,0,0|1,0,0]=3 49 B6R0.6 NCCCCCN T4895 [0,2,0,0,0,0|1,0,0]=3 50 B6R0.6 NCCOCC#C T16586 [0,2,0,0,0,0|0,1,1]=4 51 B6R0.6 NCCOCCN T14009 [0,2,0,0,0,0|0,1,0]=3 52 B6R0.6 OCCOCC#C T16656 [0,2,0,0,0,0|0,1,1]=4 53 B6R0.6 OCCOCCBr T14787 [0,2,0,0,0,0|0,1,0]=3 54 B6R0.6 OCCOCCO T21019 [0,2,0,0,0,0|0,1,0]=3 55 B6R0.9 CCN(CC)C=O T20367 [0,2,0,0,0,0|1,0,0]=3 56 B6R0.9 CCN(CC)N=O T35455 [0,2,0,0,0,0|1,0,0]=3 57 B4R1.2 CC1OC1 T19524 [1,0,0,1,0,0|0,1,0]=3 58 B6R1.2 CC1=NCCN1 T21052 [0,1,0,1,0,0|1,0,1]=4 59 B6R1.2 CN1CCCC1 T8029 [0,1,0,1,0,0|1,0,0]=3 60 B6R1.2 N=C1CCCS1 T19958 [0,1,0,1,0,0|0,0,1]=3 61 B6R1.2 O=C1CCSC1 T37630 [0,1,0,1,0,0|0,0,1]=3 62 B6R1.1 C1CSCSC1 T19081 [0,1,0,1,0,0|0,0,0]=2