0 B6R1.2 CC1=NCCN1 T21052 [0,0,0,0,0,0|3,0,1]=4 1 B6R1.2 CN1CCCC1 T8029 [0,0,0,0,0,0|2,0,0]=2 2 B6R1.2 N=C1CCCS1 T19958 [0,0,0,0,0,0|2,0,1]=3 3 B6R1.2 O=C1CCSC1 T37630 [0,0,0,0,0,0|1,1,1]=3 4 B6R1.2 O=C1NCCN1 T0630 [0,0,0,0,0,0|2,1,1]=4 5 B6R1.2 S=C1NCCN1 T20110 [0,0,0,0,0,0|2,0,2]=4 6 B5R1.1 C1CC=CO1 T0654 [1,0,0,0,0,0|1,0,2]=4 7 B7R1.2 OC1CCC(=O)N1 TN3117 [0,1,0,0,0,0|1,1,1]=4 8 B7R1.4 CC1OCCC1=O T8050 [0,1,0,0,0,0|1,1,1]=4 9 B7R1.4 CN1CCCC1=O T5851 [0,1,0,0,0,0|1,1,1]=4 10 B7R1.4 NC1CCSC1=O T5968 [0,1,0,0,0,0|1,1,1]=4 11 B7R1.4 N[C@H]1CCSC1=O T19393 [0,1,0,0,0,0|1,1,1]=4 12 B7R1.14 O=[S]1(=O)CCCN1 T8615 [0,1,0,0,0,0|2,1,0]=4 13 B5R0.1 CCCC([O-])=O T1393 [0,0,1,0,0,0|1,1,1]=4 14 B5R0.1 C[C@@H](CCO)O T9257 [0,0,1,0,0,0|1,1,0]=3 15 B5R0.1 C[C@@H](O)CCO T19538 [0,0,1,0,0,0|1,1,0]=3 16 B5R0.2 CCCSSC T39668 [0,0,1,0,0,0|3,0,0]=4 17 B5R0.2 NCCCCN T22213 [0,0,1,0,0,0|2,0,0]=3 18 B5R0.3 CC(CCl)CCl T31230 [0,0,1,0,0,0|3,0,0]=4 19 B5R0.3 CCC(C)C=O T5090 [0,0,1,0,0,0|2,0,1]=4 20 B5R0.3 CCC(O)C=C TN6958 [0,0,1,0,0,0|0,1,2]=4 21 B5R0.3 NC[C@@H](O)CCl T21259 [0,0,1,0,0,0|2,1,0]=4 22 B5R0.3 OCC(O)CO T4776 [0,0,1,0,0,0|2,1,0]=4 23 B5R0.3 OCC(S)CS T0781 [0,0,1,0,0,0|2,0,0]=3 24 B7R1.3 CC1CCOCO1 T21291 [0,0,0,0,0,1|2,0,0]=3 25 B7R1.3 NN1CCCCC1 T0533 [0,0,0,0,0,1|2,0,0]=3 26 B7R1.3 O=C1CCCCO1 T4821 [0,0,0,0,0,1|0,1,1]=3 27 B7R1.3 O=C1OCCCO1 T21150 [0,0,0,0,0,1|1,1,1]=4 28 B4R0.1 CC(N)CO T27792 [1,0,1,0,0,0|2,0,0]=4 29 B4R0.1 C[C@H](O)CO T12810 [1,0,1,0,0,0|1,1,0]=4 30 B4R0.2 CCNCC T31448 [1,0,1,0,0,0|1,0,0]=3 31 B4R0.2 CCNCC T9038 [1,0,1,0,0,0|1,0,0]=3 32 B4R0.2 CNCCO TN2779 [1,0,1,0,0,0|1,1,0]=4 33 B4R0.2 OCCCO T40585 [1,0,1,0,0,0|1,1,0]=4 34 B6R0.4 CC(C)CCC=O T20931 [0,1,1,0,0,0|1,0,1]=4 35 B6R0.6 CC/C=C\CCO T22295 [0,1,1,0,0,0|0,1,1]=4 36 B6R0.6 CCC/C=C/CO TN5162 [0,1,1,0,0,0|0,1,1]=4 37 B6R0.6 CCCCCCO TN6891 [0,1,1,0,0,0|0,1,0]=3 38 B6R0.6 CCCCN=C=S TN6757 [0,1,1,0,0,0|0,0,2]=4 39 B6R0.6 ClCCCCC#N T20456 [0,1,1,0,0,0|1,0,1]=4 40 B6R0.6 ClCCNCCCl T0565 [0,1,1,0,0,0|2,0,0]=4 41 B6R0.6 NCCCCCN T4895 [0,1,1,0,0,0|1,0,0]=3 42 B6R0.6 NCCOCCN T14009 [0,1,1,0,0,0|2,0,0]=4 43 B6R0.6 OCCOCCBr T14787 [0,1,1,0,0,0|1,1,0]=4 44 B6R0.6 OCCOCCO T21019 [0,1,1,0,0,0|1,1,0]=4 45 B6R0.9 CCN(CC)C=O T20367 [0,1,1,0,0,0|1,1,0]=4 46 B6R0.9 CCN(CC)N=O T35455 [0,1,1,0,0,0|1,1,0]=4 47 B8R1.2 O=NN1CCOCC1 T40684 [0,1,0,0,0,1|1,1,0]=4 48 B8R1.3 OC1COC(O)CO1 T4748 [0,1,0,0,0,1|1,1,0]=4 49 B8R1.4 CC1CCCC(C)N1 T1007 [0,1,0,0,0,1|1,0,0]=3 50 B8R1.4 CC1CCN=C(N)C1 T21700 [0,1,0,0,0,1|1,0,1]=4 51 B8R1.4 CC1CCOC(C)O1 T21290 [0,1,0,0,0,1|2,0,0]=4 52 B8R1.5 CC1CCCCC1=O T36789 [0,1,0,0,0,1|1,0,0]=3 53 B8R1.5 NC1CCCNC1=O T13495 [0,1,0,0,0,1|0,1,1]=4 54 B8R1.5 N[C@@H]1CCCC[C@H]1N T0164 [0,1,0,0,0,1|1,0,0]=3 55 B8R1.5 O[C@@H]1CCCC[C@H]1O T4763 [0,1,0,0,0,1|0,1,0]=3 56 B8R1.5 O[C@H]1CCCC[C@H]1O TN6922 [0,1,0,0,0,1|0,1,0]=3 57 B8R1.72 C[N+]1([O-])CCOCC1 T0636 [0,1,0,0,0,1|1,1,0]=4 58 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [0,2,0,0,0,0|0,1,1]=4 59 B8R1.1 OC[C@H]1CC[C@H](O)C1 TN2950 [0,2,0,0,0,0|0,1,0]=3 60 B8R1.7 OC(=O)[C@@H]1CCCN1 T2O2683 [0,2,0,0,0,0|1,1,0]=4 61 B8R1.7 OC(=O)[C@H]1CCCN1 T5302 [0,2,0,0,0,0|1,1,0]=4 62 B8R1.7 OC([C@H]1NCCC1)=O TN1593 [0,2,0,0,0,0|1,1,0]=4 63 B8R1.7 SC(=S)N1CCCC1 T3147 [0,2,0,0,0,0|1,0,0]=3 64 B6R1.1 C1CSCSC1 T19081 [0,0,1,1,0,0|1,0,0]=3 65 B4R1.2 CC1OC1 T19524 [0,0,0,0,2,0|2,0,0]=4 66 B8R1.22 O=C1CCCCCN1 T20386 [0,0,0,0,0,2|0,1,1]=4 67 B8R1.22 O=C1NCCCCC1 T20195 [0,0,0,0,0,2|0,1,1]=4 68 B8R1.22 O=C1NCCCCC1 T32363 [0,0,0,0,0,2|0,1,1]=4