0 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.48 O=C1CCCNC(=O)C1 F12567 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.22 NC1=NCCCCC1 D85903 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.22 O=C1CCCCCN1 D94502 [1,0,0,0,0,0|1,0,1]=3 4 B8R1.22 O=C1CCCCNC1 50109 [1,0,0,0,0,0|2,0,0]=3 5 B8R1.22 O=C1CCCOCC1 P12770 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.22 O=C1CCNCCN1 58405 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.22 O=C1CNCCNC1 77718 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.22 O=C1CNCCOC1 P20266 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.22 O=C1COCCCN1 71169 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.22 O=C1OCCCCO1 D93115 [1,0,0,0,0,0|1,0,1]=3 11 B8R0.1 CCOC(=O)CCCO C91677 [0,0,1,0,0,0|2,0,1]=4 12 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,0,1,0,0,0|1,0,0]=2 13 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [0,0,1,0,0,0|2,0,1]=4 14 B8R0.5 CCC\C(C)=C\C(=O)O A11778 [0,0,1,0,0,0|3,0,0]=4 15 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [0,0,1,0,0,0|3,0,0]=4 16 B8R0.5 COCC(=O)OC(C)C C11794 [0,0,1,0,0,0|2,0,1]=4 17 B8R0.7 C#CCOCCC(=O)O 78672 [0,0,1,0,0,0|2,0,1]=4 18 B8R0.7 COCCNCC(=O)O W16095 [0,0,1,0,0,0|3,0,0]=4 19 B8R0.7 NCCCCCC(=O)O P19609 [0,0,1,0,0,0|1,0,1]=3 20 B8R0.7 NCCCCCC(N)=O AC6029 [0,0,1,0,0,0|2,0,1]=4 21 B8R0.7 O=C([O-])CCCCCO Y14708 [0,0,1,0,0,0|0,0,3]=4 22 B10R2.42 O=C1NC(=O)C2CCC12 D72910 [0,0,0,1,0,0|1,0,0]=2 23 B10R2.42 O=C1OC(=O)C2CCC12 59945 [0,0,0,1,0,0|0,0,0]=1 24 B10R2.71 O=C1CC2CCC(C1)C2 37889 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,0,0,0,1,0|1,0,0]=2 26 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,0,0,0,1,0|3,0,0]=4 27 B8R1.4 CN1CCCC(=O)C1 S10664 [0,0,0,0,1,0|3,0,0]=4 28 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,0,0,0,1,0|2,0,1]=4 29 B8R1.4 NC1=CC(=O)COC1 P18321 [0,0,0,0,1,0|3,0,0]=4 30 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,0,0,0,1,0|2,0,1]=4 31 B8R1.4 O=C1CNCC(=O)C1 91786 [0,0,0,0,1,0|2,0,0]=3 32 B8R1.4 O=C1COCC(=O)N1 AR2999 [0,0,0,0,1,0|2,0,0]=3 33 B8R1.4 O=C1[CH-]C(=O)COC1 I11592 [0,0,0,0,1,0|2,0,0]=3 34 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,0,0,0,1,0|1,0,2]=4 35 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,0,0,0,1,0|1,0,1]=3 36 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,0,0,0,1,0|2,0,1]=4 37 B8R1.5 C[C@H]1COCCC1=O 27832 [0,0,0,0,1,0|2,0,1]=4 38 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,0,0,0,1,0|2,0,1]=4 39 B8R1.5 NN1CCCCC1=O C74639 [0,0,0,0,1,0|2,0,0]=3 40 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,0,0,0,1,0|1,0,1]=3 41 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,0,0,0,1,0|2,0,1]=4 42 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,0,0,0,1,0|2,0,1]=4 43 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,0,0,0,1,0|2,0,1]=4 44 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,0,0,0,1,0|2,0,1]=4 45 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,0,0,0,1,0|1,0,2]=4 46 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,0,0,0,1,0|1,0,2]=4 47 B10R1.71 O=C1CCC(=O)OCCO1 D93050 [0,0,0,0,0,1|3,0,0]=4 48 B7R0.1 O=CNCCNC=O D86921 [1,0,1,0,0,0|2,0,0]=4 49 B7R0.3 C=CC(=O)NCCC AB9941 [1,0,1,0,0,0|2,0,0]=4 50 B7R0.3 CCC(=O)OCCO A11774 [1,0,1,0,0,0|1,0,1]=4 51 B7R0.3 CNCCC(=O)OC AB11809 [1,0,1,0,0,0|1,0,1]=4 52 B7R0.3 COC(=O)CCCI F19766 [1,0,1,0,0,0|1,0,1]=4 53 B7R0.4 CC(=O)CCCCBr O11558 [1,0,1,0,0,0|2,0,0]=4 54 B7R0.4 CC(=O)OCCCBr C75766 [1,0,1,0,0,0|1,0,1]=4 55 B7R0.4 CCCOCC(=O)O AC1647 [1,0,1,0,0,0|1,0,1]=4 56 B7R0.4 COCCCC(=O)O 78063 [1,0,1,0,0,0|1,0,1]=4 57 B7R0.4 NCCNCC(=O)O FD21628 [1,0,1,0,0,0|2,0,0]=4 58 B9R0.4 CCCC[C@H](C)OC(=O)Cl S11041 [0,1,1,0,0,0|1,0,1]=4 59 B9R0.5 CCOC(=O)CCCCN 23836 [0,1,1,0,0,0|1,0,1]=4 60 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [0,1,1,0,0,0|1,0,1]=4 61 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [0,1,1,0,0,0|1,0,1]=4 62 B9R0.6 CCOC(=O)C(=O)C(C)=O C15077 [0,1,1,0,0,0|2,0,0]=4 63 B9R0.1 CN(CCCC(=O)O)N=O D93527 [0,1,1,0,0,0|2,0,0]=4 64 B9R0.2 C#CCCCCCC(=O)O AT11953 [0,1,1,0,0,0|1,0,1]=4 65 B9R0.2 C=CCCCCCC(=O)O I11997 [0,1,1,0,0,0|1,0,0]=3 66 B9R0.2 C=CCOCCCC(=O)O W18610 [0,1,1,0,0,0|1,0,0]=3 67 B9R0.2 COCCOCCC(=O)O C70448 [0,1,1,0,0,0|2,0,0]=4 68 B9R0.2 O=C(O)CNCCCCO 72467 [0,1,1,0,0,0|0,0,2]=4 69 B9R0.47 C=CCCC[C@H](N)C(=O)O F15996 [0,1,1,0,0,0|1,0,0]=3 70 B9R0.47 CCCCC[C@H](N)C(=O)O C10639 [0,1,1,0,0,0|1,0,1]=4 71 B9R0.47 CCCCC[C@H](N)C(=O)O C75217 [0,1,1,0,0,0|1,0,1]=4 72 B9R0.47 NCCCC[C@H](N)C(=O)O F10821 [0,1,1,0,0,0|1,0,1]=4 73 B9R0.55 CC(=O)CCCOC(C)=O D74850 [0,1,1,0,0,0|2,0,0]=4 74 B9R0.55 CC(C)CCCCC(=O)O D95053 [0,1,1,0,0,0|1,0,1]=4 75 B9R0.55 O=C(O)\C=C\CCC(=O)O S11920 [0,1,1,0,0,0|0,0,2]=4 76 B9R1.5 N[C@H]1CCCCNC1=O A56020 [1,1,0,0,0,0|1,0,1]=4 77 B9R1.5 O=C1CNCCC[C@@H]1F 72994 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.49 O=C1CCC[C@H](O)CN1 N10631 [1,1,0,0,0,0|1,0,1]=4 79 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,1,0,0,1,0|2,0,0]=4 80 B9R1.3 CN1C(=O)CCCC1=O C74292 [0,1,0,0,1,0|1,0,0]=3 81 B9R1.3 CN1C(=O)CNCC1=O P12568 [0,1,0,0,1,0|2,0,0]=4 82 B9R1.3 O=C1CCCC(O)=C1Cl AC1563 [0,1,0,0,1,0|1,0,1]=4 83 B9R1.34 NC1CC(=O)NC(=O)C1 P17113 [0,1,0,0,1,0|1,0,0]=3 84 B9R1.34 O=C1CC(=O)OC(=O)C1 C71213 [0,1,0,0,1,0|0,0,1]=3 85 B9R1.69 CN1CCC(=O)CC1=O P13026 [0,1,0,0,1,0|2,0,0]=4 86 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,1,0,0,1,0|1,0,0]=3 87 B9R1.69 N[C@H]1CCC(=O)NC1=O AT11186 [0,1,0,0,1,0|1,0,0]=3 88 B9R1.15 O=CC1=C(Br)CCCC1 AC9040 [0,1,0,0,1,0|1,0,0]=3 89 B9R1.15 O=CC1=C(Cl)CCCC1 31222 [0,1,0,0,1,0|1,0,0]=3 90 B9R1.15 OCC1=C(Br)CCCC1 AC8357 [0,1,0,0,1,0|1,0,1]=4 91 B9R1.13 CC(=O)O[C@@H]1CCCO1 D94546 [0,0,1,1,0,0|0,0,2]=4 92 B9R1.6 O=C(O)[C@@H]1CCCCO1 P15808 [0,0,1,1,0,0|0,0,2]=4 93 B9R1.6 O=C(O)[C@@H]1CCCCO1 P16420 [0,0,1,1,0,0|0,0,2]=4 94 B9R1.6 O=C(O)[C@H]1CCCSC1 37673 [0,0,1,1,0,0|2,0,0]=4 95 B9R1.67 CC(=O)O[C@H]1CCC1=O P20079 [0,0,1,1,0,0|2,0,0]=4 96 B9R1.84 O=C(O)CCC1CCC1 86885 [0,0,1,1,0,0|1,0,1]=4 97 B9R1.96 N#CC1CCC1C(=O)O P15990 [0,0,1,1,0,0|1,0,1]=4 98 B9R1.37 C[C@H]1C(=O)CC(=O)N1C 79650 [0,0,1,1,0,0|2,0,0]=4 99 B9R1.37 C[C@H]1C(=O)OC(=O)N1C P14136 [0,0,1,1,0,0|1,0,0]=3 100 B9R2.109 O=C1CCCC2CC12 P10813 [1,0,0,1,0,0|1,0,1]=4 101 B11R2.66 O=C1CN2C(=O)CC[C@H]2N1 W17118 [0,0,0,1,0,1|2,0,0]=4 102 B11R2.202 O=C1OC(=O)C2=C1CCC2 E10149 [0,0,0,1,0,1|0,0,1]=3 103 B11R2.201 O=C1CC(=O)C2CCC1C2 W16850 [0,1,0,1,0,0|1,0,0]=3 104 B11R2.201 O=C1OC(=O)[C@@H]2CC[C@H]1C2 F53086 [0,1,0,1,0,0|0,0,0]=2 105 B7R1.3 BrC1=CCCNC1 D97153 [1,0,0,0,1,0|2,0,0]=4 106 B7R1.3 BrC1=CCOCC1 C90119 [1,0,0,0,1,0|2,0,0]=4 107 B7R1.3 CC1=CCNCC1 A11257 [1,0,0,0,1,0|2,0,0]=4 108 B7R1.3 FC1=CCNCC1 P20375 [1,0,0,0,1,0|2,0,0]=4 109 B7R1.3 O=C1C=CCCN1 88830 [1,0,0,0,1,0|1,0,1]=4 110 B7R1.3 O=C1C=CCOC1 O10790 [1,0,0,0,1,0|1,0,1]=4 111 B7R1.3 O=C1CCCCS1 D95162 [1,0,0,0,1,0|0,1,0]=3 112 B7R1.3 O=C1CNCCO1 RB3226 [1,0,0,0,1,0|1,0,0]=3 113 B7R1.3 O=C1CSCCN1 23643 [1,0,0,0,1,0|2,0,0]=4 114 B7R1.2 C=C1CCC(=O)O1 T71516 [0,0,0,0,2,0|1,0,0]=3 115 B7R1.2 NC1=CC(=O)CC1 90005 [0,0,0,0,2,0|2,0,0]=4 116 B7R1.2 O=C1C=C(Br)CC1 W19329 [0,0,0,0,2,0|2,0,0]=4 117 B7R1.2 O=C1C=C(I)CC1 A12694 [0,0,0,0,2,0|2,0,0]=4 118 B7R1.2 O=C1CNC(=O)C1 76756 [0,0,0,0,2,0|2,0,0]=4 119 B7R1.2 O=C1COC(=O)N1 F20602 [0,0,0,0,2,0|2,0,0]=4 120 B7R1.4 BrC1=C(Br)CCC1 79351 [0,0,0,0,2,0|2,0,0]=4 121 B9R0.24 CCC(=O)CCC(=O)CC Y14693 [0,0,1,0,0,1|1,0,0]=3