0 B6R1.2 CC1=NCCN1 T21052 [1,0,0,0,0,0|2,0,1]=4 1 B6R1.2 CN1CCCC1 T8029 [1,0,0,0,0,0|2,0,0]=3 2 B6R1.2 N=C1CCCS1 T19958 [1,0,0,0,0,0|1,1,1]=4 3 B8R1.1 CCC1CCC(=O)O1 T8098 [0,1,0,0,0,0|1,0,1]=3 4 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [0,1,0,0,0,0|1,0,1]=3 5 B8R1.1 OC[C@H]1CC[C@H](O)C1 TN2950 [0,1,0,0,0,0|1,0,0]=2 6 B8R1.7 C1[C@@H](NCS1)C(=O)O T21115 [0,1,0,0,0,0|2,0,1]=4 7 B8R1.7 OC(=O)C1CSCN1 T0221 [0,1,0,0,0,0|2,0,1]=4 8 B8R1.7 OC(=O)[C@@H]1CCCN1 T2O2683 [0,1,0,0,0,0|1,0,1]=3 9 B8R1.7 OC(=O)[C@@H]1CSCN1 T4292 [0,1,0,0,0,0|2,0,1]=4 10 B8R1.7 OC(=O)[C@H]1CCCN1 T5302 [0,1,0,0,0,0|1,0,1]=3 11 B8R1.7 OC([C@H]1NCCC1)=O TN1593 [0,1,0,0,0,0|1,0,1]=3 12 B6R0.6 CC/C=C\CCO T22295 [0,0,1,0,0,0|1,0,1]=3 13 B6R0.6 CCC/C=C/CO TN5162 [0,0,1,0,0,0|1,0,1]=3 14 B6R0.6 CCCCCCO TN6891 [0,0,1,0,0,0|1,0,0]=2 15 B6R0.6 ClCCCCC#N T20456 [0,0,1,0,0,0|2,0,1]=4 16 B6R0.6 ClCCNCCCl T0565 [0,0,1,0,0,0|3,0,0]=4 17 B6R0.6 NCCCCCN T4895 [0,0,1,0,0,0|2,0,0]=3 18 B6R0.6 NCCOCC#C T16586 [0,0,1,0,0,0|1,0,2]=4 19 B6R0.6 NCCOCCN T14009 [0,0,1,0,0,0|2,0,0]=3 20 B6R0.6 OCCOCC#C T16656 [0,0,1,0,0,0|0,0,2]=3 21 B6R0.6 OCCOCCBr T14787 [0,0,1,0,0,0|1,0,0]=2 22 B6R0.6 OCCOCCO T21019 [0,0,1,0,0,0|1,0,0]=2 23 B5R0.1 C[C@@H](CCO)O T9257 [1,0,1,0,0,0|1,0,0]=3 24 B5R0.1 C[C@@H](O)CCO T19538 [1,0,1,0,0,0|1,0,0]=3 25 B5R0.2 CCCSSC T39668 [1,0,1,0,0,0|1,1,0]=4 26 B5R0.2 NCCCCN T22213 [1,0,1,0,0,0|2,0,0]=4 27 B5R0.3 CC(CCl)CCl T31230 [1,0,1,0,0,0|2,0,0]=4 28 B5R0.3 CCC(C)C=O T5090 [1,0,1,0,0,0|0,0,2]=4 29 B5R0.3 CCC(O)C=C TN6958 [1,0,1,0,0,0|1,0,1]=4 30 B5R0.3 NC[C@@H](O)CCl T21259 [1,0,1,0,0,0|2,0,0]=4 31 B5R0.3 OCC(O)C=O T4918 [1,0,1,0,0,0|1,0,1]=4 32 B5R0.3 OCC(O)CO T4776 [1,0,1,0,0,0|1,0,0]=3 33 B5R0.3 OCC(S)CS T0781 [1,0,1,0,0,0|1,1,0]=4 34 B5R1.1 C1CC=CO1 T0654 [2,0,0,0,0,0|0,0,2]=4 35 B7R0.2 CC(C)C[C@H](N)CO T5652 [0,1,1,0,0,0|1,0,0]=3 36 B7R0.2 OC[C@@H](O)CC(O)=O T13978 [0,1,1,0,0,0|1,0,1]=4 37 B7R0.5 CCCC(C)C(O)=O T5685 [0,1,1,0,0,0|1,0,1]=4 38 B7R0.5 CCCC(N)C(O)=O T11054 [0,1,1,0,0,0|1,0,1]=4 39 B7R0.5 CCC[C@H](N)C(O)=O T4788 [0,1,1,0,0,0|1,0,1]=4 40 B7R0.10 CCC(O)C(=O)CC T20376 [0,1,1,0,0,0|1,0,1]=4 41 B7R0.10 OC[C@@H](O)[C@@H](O)C=O T19828 [0,1,1,0,0,0|1,0,1]=4 42 B7R0.10 OC[C@@H](O)[C@H](O)CO T10942 [0,1,1,0,0,0|1,0,0]=3 43 B7R0.10 OC[C@H](O)[C@@H](O)CO T5218 [0,1,1,0,0,0|1,0,0]=3 44 B7R0.10 OC[C@H](O)[C@H](O)C=O T20229 [0,1,1,0,0,0|1,0,1]=4 45 B7R0.10 OC[C@H](O)[C@H](O)CO T0583 [0,1,1,0,0,0|1,0,0]=3 46 B7R0.10 O[C@@H](CS)[C@@H](O)CS T20224 [0,1,1,0,0,0|1,1,0]=4 47 B7R0.10 O[C@@H](CS)[C@@H](O)CS T5370 [0,1,1,0,0,0|1,1,0]=4 48 B7R0.10 O[C@@H](CS)[C@H](O)CS T19299 [0,1,1,0,0,0|1,1,0]=4 49 B7R0.1 CCCCCCCO TN6893 [0,1,1,0,0,0|1,0,0]=3 50 B7R0.1 CCCSSCCC TN6758 [0,1,1,0,0,0|1,1,0]=4 51 B7R0.1 CNCCOCCO T32120 [0,1,1,0,0,0|0,0,0]=2 52 B7R0.1 COCCOCCBr T18161 [0,1,1,0,0,0|1,0,0]=3 53 B7R0.1 COCCOCCN T15842 [0,1,1,0,0,0|1,0,0]=3 54 B7R0.1 NCCCNCCS TQ0133 [0,1,1,0,0,0|1,1,0]=4 55 B7R0.1 NCCSSCCO T14257 [0,1,1,0,0,0|1,1,0]=4 56 B7R0.1 NOCCOCC#C T14260 [0,1,1,0,0,0|0,0,2]=4 57 B7R0.1 NOCCOCCO T14261 [0,1,1,0,0,0|1,0,0]=3 58 B7R0.4 NCCCCC(O)=O T5089 [0,1,1,0,0,0|1,0,1]=4 59 B7R0.4 OC(=O)COCCBr T14786 [0,1,1,0,0,0|1,0,1]=4 60 B7R0.15 CCC(CC)C(O)=O T8027 [0,1,1,0,0,0|1,0,1]=4 61 B7R1.2 OC1CCC(=O)N1 TN3117 [1,1,0,0,0,0|1,0,1]=4 62 B7R1.4 CC1OCCC1=O T8050 [1,1,0,0,0,0|0,0,1]=3 63 B7R1.4 CN1CCCC1=O T5851 [1,1,0,0,0,0|2,0,0]=4 64 B7R1.18 OC(=O)C1CCN1 T8100 [0,1,0,0,1,0|1,0,1]=4 65 B7R1.18 OC(=O)[C@@H]1CCN1 TN6928 [0,1,0,0,1,0|1,0,1]=4 66 B9R1.6 OC(=O)C1CCCCC1 T5563 [0,1,0,0,0,1|1,0,1]=4 67 B9R1.6 OC(=O)C1CCCCN1 T4819 [0,1,0,0,0,1|1,0,1]=4 68 B9R1.6 OC(=O)C1CCNCC1 T22348 [0,1,0,0,0,1|1,0,1]=4 69 B9R1.6 OC(=O)[C@@H]1CCCCN1 T4762 [0,1,0,0,0,1|1,0,1]=4 70 B9R1.6 OC(=O)[C@H]1CCCCN1 T13634 [0,1,0,0,0,1|1,0,1]=4 71 B9R1.6 OC(=O)[C@H]1CCCNC1 T20114 [0,1,0,0,0,1|1,0,1]=4 72 B9R1.6 OC([C@@H]1CCCNC1)=O T22482 [0,1,0,0,0,1|1,0,1]=4 73 B9R1.8 CCCC1NCCCC1 TN3695 [0,1,0,0,0,1|2,0,0]=4 74 B9R1.8 OCCN1CCCCC1 T33732 [0,1,0,0,0,1|2,0,0]=4 75 B9R1.118 OCC1(C)COCOC1 T29280 [0,1,0,0,0,1|1,0,0]=3 76 B9R1.118 OCC1(C)COCOC1 T29459 [0,1,0,0,0,1|1,0,0]=3 77 B9R1.35 O[C@@H]1CN[C@@H](C1)C(O)=O T37512 [0,2,0,0,0,0|1,0,1]=4 78 B9R1.35 O[C@H]1CN[C@@H](C1)C(O)=O T2A2476 [0,2,0,0,0,0|1,0,1]=4 79 B9R1.35 O[C@H]1CN[C@H](C1)C(O)=O T4712 [0,2,0,0,0,0|1,0,1]=4 80 B9R1.41 CN1CCC[C@H]1C(O)=O T40569 [0,2,0,0,0,0|1,0,1]=4 81 B9R1.41 NC1CCCC1C(O)=O T27023 [0,2,0,0,0,0|1,0,1]=4 82 B9R1.163 NC1(CCCC1)C(O)=O T9626 [0,2,0,0,0,0|1,0,1]=4 83 B7R1.3 CC1CCOCO1 T21291 [0,0,1,1,0,0|2,0,0]=4 84 B9R2.39 O=C1CC2CCC1C2 TN4667 [0,1,0,1,0,0|1,0,1]=4 85 B5R1.3 ClCC1CO1 T6344 [0,0,0,0,2,0|1,0,0]=3 86 B5R1.3 ClCC1CO1 T6666 [0,0,0,0,2,0|1,0,0]=3 87 B5R1.3 N#CC1CC1 T0536 [0,0,0,0,2,0|1,0,1]=4