0 B4R0.2 CCNCC T31448 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.2 CCNCC T9038 [0,0,0,0,0,0|3,0,0]=3 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|1,0,1]=2 4 B4R0.2 CSSSC T8034 [0,0,0,0,0,0|1,0,0]=1 5 B4R0.2 NCCC#N T13475 [0,0,0,0,0,0|4,0,0]=4 6 B4R0.2 OCCCO T40585 [0,0,0,0,0,0|4,0,0]=4 7 B3R0.1 NCCO T22327 [1,0,0,0,0,0|2,1,0]=4 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 CCCC([O-])=O T1393 [0,1,0,0,0,0|3,0,0]=4 11 B5R0.1 CN(C)CC=O T19099 [0,1,0,0,0,0|3,0,0]=4 12 B5R0.1 CN(C)CC=O T19100 [0,1,0,0,0,0|3,0,0]=4 13 B5R0.1 CNCC(O)=O T6975 [0,1,0,0,0,0|3,0,0]=4 14 B5R0.1 C[C@@H](CCO)O T9257 [0,1,0,0,0,0|3,0,0]=4 15 B5R0.1 C[C@@H](O)CCO T19538 [0,1,0,0,0,0|3,0,0]=4 16 B5R0.2 CCCSSC T39668 [0,1,0,0,0,0|1,0,0]=2 17 B5R0.2 NCCCCN T22213 [0,1,0,0,0,0|3,0,0]=4 18 B5R0.3 CCC(C)C=O T5090 [0,1,0,0,0,0|3,0,0]=4 19 B5R0.3 CCC(O)C=C TN6958 [0,1,0,0,0,0|2,0,1]=4 20 B5R0.3 CNC(=S)NC T40615 [0,1,0,0,0,0|2,0,1]=4 21 B5R1.1 C1CC=CO1 T0654 [0,0,0,1,0,0|1,1,1]=4 22 B5R1.3 ClCC1CO1 T6344 [0,0,0,1,0,0|2,1,0]=4 23 B5R1.3 ClCC1CO1 T6666 [0,0,0,1,0,0|2,1,0]=4 24 B5R1.3 N#CC1CC1 T0536 [0,0,0,1,0,0|3,0,0]=4 25 B2R0.1 CNC T5309 [2,0,0,0,0,0|1,0,0]=3 26 B2R0.1 CON T21320 [2,0,0,0,0,0|1,1,0]=4 27 B4R0.1 CC(N)C=O T29820 [1,1,0,0,0,0|2,0,0]=4 28 B4R0.1 CC(N)CO T27792 [1,1,0,0,0,0|1,1,0]=4 29 B4R0.1 COC(C)=N T24458 [1,1,0,0,0,0|0,1,1]=4 30 B4R0.1 CSC(N)=N T22419 [1,1,0,0,0,0|1,0,1]=4 31 B4R0.1 C[C@H](O)CO T12810 [1,1,0,0,0,0|1,1,0]=4 32 B4R0.1 [O-]C(=O)CS T8530 [1,1,0,0,0,0|2,0,0]=4 33 B6R0.4 CSCCC(O)=O T5285 [0,2,0,0,0,0|1,0,1]=4 34 B6R0.6 CCC/C=C/CO TN5162 [0,2,0,0,0,0|2,0,0]=4 35 B6R0.6 CCCCCCO TN6891 [0,2,0,0,0,0|2,0,0]=4 36 B6R0.6 NCCCCCN T4895 [0,2,0,0,0,0|2,0,0]=4 37 B4R1.2 CC1OC1 T19524 [1,0,0,1,0,0|0,1,0]=3 38 B6R1.2 CN1CCCC1 T8029 [0,1,0,1,0,0|2,0,0]=4 39 B6R1.2 N=C1CCCS1 T19958 [0,1,0,1,0,0|1,0,1]=4 40 B6R1.2 O=C1CCSC1 T37630 [0,1,0,1,0,0|1,0,0]=3 41 B6R1.1 C1CSCSC1 T19081 [0,1,0,1,0,0|0,0,0]=2