0 B7R1.3 CC1CCOCO1 T21291 [1,0,0,0,0,0|1,0,0]=2 1 B7R1.3 NN1CCCCC1 T0533 [1,0,0,0,0,0|3,0,0]=4 2 B7R1.3 O=C1CCCCO1 T4821 [1,0,0,0,0,0|0,0,2]=3 3 B7R1.3 O=C1OCCCO1 T21150 [1,0,0,0,0,0|1,0,2]=4 4 B9R1.6 OC(=O)C1CCCCC1 T5563 [0,1,0,0,0,0|1,0,1]=3 5 B9R1.6 OC(=O)C1CCCCN1 T4819 [0,1,0,0,0,0|1,0,1]=3 6 B9R1.6 OC(=O)C1CCNCC1 T22348 [0,1,0,0,0,0|2,0,1]=4 7 B9R1.6 OC(=O)[C@@H]1CCCCN1 T4762 [0,1,0,0,0,0|1,0,1]=3 8 B9R1.6 OC(=O)[C@H]1CCCCN1 T13634 [0,1,0,0,0,0|1,0,1]=3 9 B9R1.6 OC(=O)[C@H]1CCCNC1 T20114 [0,1,0,0,0,0|2,0,1]=4 10 B9R1.6 OC([C@@H]1CCCNC1)=O T22482 [0,1,0,0,0,0|2,0,1]=4 11 B9R1.6 [O-][N+](=O)C1CCCCC1 T20405 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.8 CCCC1NCCCC1 TN3695 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.8 OCCN1CCCCC1 T33732 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.118 OCC1(C)COCOC1 T29280 [0,1,0,0,0,0|3,0,0]=4 15 B9R1.118 OCC1(C)COCOC1 T29459 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.1 CCCCCCCO TN6893 [0,0,1,0,0,0|1,0,0]=2 17 B7R0.1 CCCSSCCC TN6758 [0,0,1,0,0,0|2,1,0]=4 18 B7R0.1 CNCCOCCO T32120 [0,0,1,0,0,0|1,0,0]=2 19 B7R0.1 COCCOCCBr T18161 [0,0,1,0,0,0|2,0,0]=3 20 B7R0.1 COCCOCCN T15842 [0,0,1,0,0,0|2,0,0]=3 21 B7R0.1 NCCCNCCS TQ0133 [0,0,1,0,0,0|2,1,0]=4 22 B7R0.1 NCCSSCCO T14257 [0,0,1,0,0,0|2,1,0]=4 23 B7R0.1 NOCCOCCO T14261 [0,0,1,0,0,0|2,0,0]=3 24 B6R0.6 CC/C=C\CCO T22295 [1,0,1,0,0,0|0,0,2]=4 25 B6R0.6 CCC/C=C/CO TN5162 [1,0,1,0,0,0|0,0,2]=4 26 B6R0.6 CCCCCCO TN6891 [1,0,1,0,0,0|0,0,0]=2 27 B6R0.6 NCCCCCN T4895 [1,0,1,0,0,0|2,0,0]=4 28 B6R0.6 NCCOCCN T14009 [1,0,1,0,0,0|2,0,0]=4 29 B6R0.6 OCCOCC#C T16656 [1,0,1,0,0,0|0,0,2]=4 30 B6R0.6 OCCOCCBr T14787 [1,0,1,0,0,0|1,0,0]=3 31 B6R0.6 OCCOCCO T21019 [1,0,1,0,0,0|1,0,0]=3 32 B6R1.1 C1CSCSC1 T19081 [2,0,0,0,0,0|1,1,0]=4 33 B8R0.4 COCCOCCON T15843 [0,1,1,0,0,0|1,0,0]=3 34 B8R0.4 NCCCCCCCN T7998 [0,1,1,0,0,0|2,0,0]=4 35 B8R0.4 NOCCOCCON T14617 [0,1,1,0,0,0|2,0,0]=4 36 B8R0.4 OCCOCCN=[N+]=[N-] T14416 [0,1,1,0,0,0|2,0,0]=4 37 B8R0.6 CCCCCC(O)CC TN1267 [0,1,1,0,0,0|2,0,0]=4 38 B8R0.6 NCCCCC(N)CS T33070 [0,1,1,0,0,0|1,1,0]=4 39 B8R0.7 NCCCCCC(O)=O T0881 [0,1,1,0,0,0|1,0,1]=4 40 B8R0.7 OCCOCCC(O)=O T15510 [0,1,1,0,0,0|1,0,1]=4 41 B8R0.3 OC[C@@H](O)[C@@H](O)CC=O T4818 [0,1,1,0,0,0|1,0,1]=4 42 B8R0.8 CCCCC(C)C(O)=O T8080 [0,1,1,0,0,0|1,0,1]=4 43 B8R0.8 CCCCC(O)C(O)=O T5224 [0,1,1,0,0,0|0,0,1]=3 44 B8R0.8 CCCC[C@H](N)C(O)=O T4765 [0,1,1,0,0,0|1,0,1]=4 45 B8R0.8 CSCCC(O)C(O)=O T20705 [0,1,1,0,0,0|1,0,1]=4 46 B8R1.3 OC1COC(O)CO1 T4748 [1,1,0,0,0,0|1,0,0]=3 47 B8R1.4 CC1CCCC(C)N1 T1007 [1,1,0,0,0,0|1,0,0]=3 48 B8R1.4 CC1CCOC(C)O1 T21290 [1,1,0,0,0,0|1,0,0]=3 49 B8R1.5 CC1CCCCC1=O T36789 [1,1,0,0,0,0|1,0,0]=3 50 B8R1.5 N[C@@H]1CCCC[C@H]1N T0164 [1,1,0,0,0,0|2,0,0]=4 51 B8R1.5 O[C@@H]1CCCC[C@H]1O T4763 [1,1,0,0,0,0|1,0,0]=3 52 B8R1.5 O[C@H]1CCCC[C@H]1O TN6922 [1,1,0,0,0,0|1,0,0]=3 53 B8R1.1 CCC1CCC(=O)O1 T8098 [0,1,0,0,1,0|1,0,1]=4 54 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [0,1,0,0,1,0|0,0,1]=3 55 B8R1.1 OC[C@H]1CC[C@H](O)C1 TN2950 [0,1,0,0,1,0|0,0,0]=2 56 B8R1.7 OC(=O)[C@@H]1CCCN1 T2O2683 [0,1,0,0,1,0|1,0,1]=4 57 B8R1.7 OC(=O)[C@H]1CCCN1 T5302 [0,1,0,0,1,0|1,0,1]=4 58 B8R1.7 OC([C@H]1NCCC1)=O TN1593 [0,1,0,0,1,0|1,0,1]=4 59 B10R1.13 OC1CCC(CC1)C(O)=O T19135 [0,2,0,0,0,0|1,0,1]=4 60 B10R1.13 O[C@H]1CC[C@@H](CC1)C(O)=O T8091 [0,2,0,0,0,0|1,0,1]=4 61 B10R1.2 OC[C@H]1CNC[C@@H](O)[C@@H]1O T19181 [0,2,0,0,0,0|2,0,0]=4 62 B10R1.2 OC[C@H]1CNC[C@@H](O)[C@@H]1O T19182 [0,2,0,0,0,0|2,0,0]=4 63 B10R1.2 OC[C@H]1CNC[C@@H](O)[C@@H]1O T23653 [0,2,0,0,0,0|2,0,0]=4 64 B10R1.2 OC[C@H]1NCC[C@@H](O)C1O TQ0298 [0,2,0,0,0,0|1,0,0]=3 65 B10R1.15 CC[C@@H](O)[C@@H]1CCCCN1 T29893 [0,2,0,0,0,0|1,0,0]=3 66 B10R1.15 COC(=O)C1CCCCC1 T22366 [0,2,0,0,0,0|1,0,1]=4 67 B10R1.61 ON1CCCCC1C(O)=O T19458 [0,2,0,0,0,0|1,0,1]=4 68 B10R1.377 CC1(CCO)CCOCO1 T33260 [0,2,0,0,0,0|1,0,0]=3 69 B10R2.71 OC1CC2NC(CC2)C1 T1341L [0,1,0,1,0,0|2,0,0]=4 70 B10R2.71 OC1C[C@@H]2CC[C@H](C1)N2 T1341 [0,1,0,1,0,0|2,0,0]=4 71 B10R2.7 C1NCC2CCCCC12 TMA0432 [0,1,0,1,0,0|2,0,0]=4 72 B6R1.2 CN1CCCC1 T8029 [1,0,0,0,1,0|1,0,0]=3