0 B9R0.2 CNCCCCCC(=O)O AT21580 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.2 NCCCCCCC(N)=O AC7480 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.7 CC(=O)NCCCCN S12336 [1,0,0,0,0,0|3,0,0]=4 3 B8R0.7 CCCCC#CC(=O)O T71801 [1,0,0,0,0,0|0,0,2]=3 4 B8R0.7 CCCCNCC(=O)O D87235 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.7 CNCCCNC(C)=O C78307 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.7 NC(=O)CCCCCO AC6170 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.7 O=C(O)CCOCCBr C70446 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.7 O=C(O)CCOCCO C70447 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.7 [2H][C@H](O)CCCCCC D99646 [1,0,0,0,0,0|1,0,2]=4 10 B10R0.4 CCCCCC\C=C\C(=O)O A11728 [0,1,0,0,0,0|0,0,0]=1 11 B10R0.4 O=C(O)COCCOCCBr C90635 [0,1,0,0,0,0|2,0,1]=4 12 B10R0.4 O=C(O)COCCOCCCl D71995 [0,1,0,0,0,0|2,0,1]=4 13 B10R0.6 CCCCC[C@H](N)CC(=O)O D88166 [0,1,0,0,0,0|0,0,2]=3 14 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10271 [0,1,0,0,0,0|1,0,2]=4 15 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10272 [0,1,0,0,0,0|1,0,2]=4 16 B10R0.6 NCCCC[C@H](N)CC(=O)O FD10302 [0,1,0,0,0,0|1,0,2]=4 17 B10R0.74 COC(=O)CCCCCCN F19219 [0,1,0,0,0,0|1,0,2]=4 18 B10R1.18 O=C(O)CN1CCSCC1 AT25287 [0,0,0,1,0,0|2,0,1]=4 19 B10R1.18 O=C(O)CN1CCSCC1 W18219 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.18 O=C(O)C[C@H]1CCCCN1 AC1465 [0,0,0,1,0,0|1,0,2]=4 21 B10R1.18 O=C(O)C[C@H]1CCCNC1 AC3441 [0,0,0,1,0,0|1,0,2]=4 22 B10R1.18 O=[N+]([O-])C=C1CCOCC1 P14939 [0,0,0,1,0,0|2,0,1]=4 23 B10R1.39 CCC1=C(C(=O)O)C=CO1 AT17500 [0,0,0,1,0,0|1,0,2]=4 24 B10R1.39 CCC1=C(C(=O)O)C=NO1 71632 [0,0,0,1,0,0|2,0,1]=4 25 B10R1.61 CC1=C(C(=O)O)CCCO1 H11485 [0,0,0,1,0,0|1,0,2]=4 26 B10R1.61 CC1CNCCC1C(=O)O 33568 [0,0,0,1,0,0|1,0,2]=4 27 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O 92901 [0,0,0,1,0,0|1,0,1]=3 28 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O AT11559 [0,0,0,1,0,0|1,0,1]=3 29 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O AT23064 [0,0,0,1,0,0|1,0,2]=4 30 B10R1.61 C[C@H]1CCCC=C1C(=O)O AT26703 [0,0,0,1,0,0|0,0,0]=1 31 B10R1.61 NC1CCCCC1C(=O)O 71292 [0,0,0,1,0,0|1,0,2]=4 32 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50240 [0,0,0,1,0,0|2,0,1]=4 33 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50307 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.64 CC(=O)CN1CCC[C@@H]1C F50425 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.66 NC(=O)COC1CCCC1 AC6964 [0,0,0,1,0,0|2,0,1]=4 36 B10R1.66 O=[N+]([O-])\C=C\C1CCCC1 W12989 [0,0,0,1,0,0|1,0,1]=3 37 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98384 [0,0,0,1,0,0|1,0,1]=3 38 B10R1.348 O=C(O)[C@H]1CCCNCC1 98343 [0,0,0,1,0,0|1,0,2]=4 39 B10R1.348 OB(O)C1=CCCCCC1 AT23172 [0,0,0,1,0,0|1,0,1]=3 40 B7R0.1 C=CCCCCCCl I11994 [2,0,0,0,0,0|1,0,1]=4 41 B7R0.1 C=CCCCCCO F14745 [2,0,0,0,0,0|1,0,1]=4 42 B7R0.1 C\C=C/CCCCC T72919 [2,0,0,0,0,0|0,0,1]=3 43 B7R0.1 O=CCCCCCCl 24359 [2,0,0,0,0,0|1,0,1]=4 44 B7R0.4 CCCCCC(N)=S W19000 [2,0,0,0,0,0|1,1,0]=4 45 B7R0.4 CCNCCC(N)=O A11725 [2,0,0,0,0,0|2,0,0]=4 46 B7R0.4 CC\C=C/CC(=O)O F18341 [2,0,0,0,0,0|0,0,2]=4 47 B7R0.4 CNCCCC(N)=O AB11605 [2,0,0,0,0,0|2,0,0]=4 48 B7R0.4 COC\C=C\C(=O)O P17072 [2,0,0,0,0,0|1,0,0]=3 49 B7R0.4 NC(=O)CCCCBr AC9465 [2,0,0,0,0,0|2,0,0]=4 50 B7R0.4 NC(=O)CCCCCl AC5718 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.4 NCCCCC(N)=O AC3685 [2,0,0,0,0,0|2,0,0]=4 52 B7R0.4 NCCSCC(=O)O AT25571 [2,0,0,0,0,0|2,0,0]=4 53 B9R0.45 C\C=C/CCCCCCC T70533 [1,1,0,0,0,0|1,0,1]=4 54 B9R0.4 CCCC[C@H](N)CC(=O)O N14199 [1,1,0,0,0,0|0,0,1]=3 55 B9R0.4 CCCC[C@H](N)CC(=O)O N14200 [1,1,0,0,0,0|0,0,1]=3 56 B9R0.47 CCCCCC(=O)C(=O)O A11260 [1,1,0,0,0,0|0,0,0]=2 57 B9R0.47 NCCCC[C@H]([15NH2])C(=O)O D98677 [1,1,0,0,0,0|1,0,1]=4 58 B11R0.6 CC(C)=CCC\C(C)=C/C(=O)O F19915 [0,2,0,0,0,0|0,0,2]=4 59 B11R0.154 CCCCCC(=O)CC(=O)OC A11017 [0,2,0,0,0,0|0,0,1]=3 60 B11R0.106 COC(=O)\C=C\CCC(=O)OC D87689 [0,2,0,0,0,0|1,0,1]=4 61 B11R0.125 [2H]C([2H])(CCCCCC)C(=O)O D98979 [0,2,0,0,0,0|0,0,2]=4 62 B9R1.8 N#CC=C1CCCCC1 F51913 [1,0,0,1,0,0|1,0,1]=4 63 B9R1.12 N#C\C=C\C1CCCC1 70758 [1,0,0,1,0,0|1,0,1]=4 64 B9R1.89 O=CC1CCCCCC1 AT13628 [1,0,0,1,0,0|0,0,2]=4 65 B9R1.6 O=C(O)C1=CCCNC1 C10916 [1,0,0,1,0,0|1,0,0]=3 66 B9R1.6 O=C(O)C1=CCCNC1 F13202 [1,0,0,1,0,0|1,0,0]=3 67 B9R1.6 O=C(O)C1=CCCOC1 SC1721 [1,0,0,1,0,0|1,0,0]=3 68 B9R1.6 O=C(O)[C@@H]1CCCCS1 90959 [1,0,0,1,0,0|1,0,1]=4 69 B9R1.7 CCCN1C=CC(O)=N1 AC6302 [1,0,0,1,0,0|2,0,0]=4 70 B9R1.13 CC(=O)C=C1CCCC1 F13249 [1,0,0,1,0,0|1,0,0]=3 71 B9R1.13 CC(=O)CC1CCCC1 N12760 [1,0,0,1,0,0|1,0,1]=4 72 B9R1.13 O=C(O)C[C@H]1CCNC1 P11648 [1,0,0,1,0,0|1,0,1]=4 73 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O W10213 [1,0,0,1,0,0|1,0,1]=4 74 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O AT17205 [1,0,0,1,0,0|1,0,1]=4 75 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O AT13997 [1,0,0,1,0,0|1,0,1]=4 76 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13975 [1,0,0,1,0,0|1,0,1]=4 77 B9R1.85 O=C(O)CCNC1CC1 AC5323 [1,0,0,1,0,0|1,0,1]=4 78 B9R1.85 O=C(O)COCC1CC1 12497 [1,0,0,1,0,0|1,0,1]=4 79 B9R1.96 CCC1CN[C@@H]1C(=O)O P15219 [1,0,0,1,0,0|1,0,1]=4 80 B11R1.15 CCC[C@H](N)C1=CC=C(C)O1 N16750 [0,1,0,1,0,0|1,0,1]=4 81 B11R1.15 CCC[C@H](N)C1=CC=C(C)O1 N16751 [0,1,0,1,0,0|1,0,1]=4 82 B11R1.15 CCC[C@H](N)C1=CC=C(C)O1 N16752 [0,1,0,1,0,0|1,0,1]=4 83 B11R1.64 CCC1=C(C(=O)O)CC[C@@H]1O 97944 [0,1,0,1,0,0|0,0,2]=4 84 B11R1.124 CCCC1=CC=C(C(=O)O)S1 AT16415 [0,1,0,1,0,0|0,0,2]=4 85 B11R1.124 CCCC1=NC(C(=O)O)=CO1 AC6002 [0,1,0,1,0,0|1,0,1]=4 86 B11R1.124 CCCC1=NC=C(C(=O)O)N1 F30788 [0,1,0,1,0,0|1,0,1]=4 87 B11R1.86 C[C@H]1CNCCN1CC(=O)O AC2825 [0,1,0,1,0,0|1,0,1]=4 88 B11R1.91 O=C(O)CC[C@H]1CCCCN1 70380 [0,1,0,1,0,0|0,0,2]=4 89 B11R1.91 O=C(O)CNC1CCCCC1 W15240 [0,1,0,1,0,0|0,0,2]=4 90 B11R1.91 O=C(O)\C=N\N1CCCCC1 E72490 [0,1,0,1,0,0|1,0,0]=3 91 B11R1.193 CCCC1=C(C(=O)O)OC=N1 AT18686 [0,1,0,1,0,0|1,0,1]=4 92 B11R1.193 CCCN1C=NC=C1C(=O)O AT15390 [0,1,0,1,0,0|1,0,1]=4 93 B11R1.742 O=C(O)C[C@H]1CCCNCC1 AT11731 [0,1,0,1,0,0|0,0,2]=4 94 B11R1.34 CCCC1CC(=O)CC(=O)C1 F16230 [0,1,0,1,0,0|1,0,1]=4 95 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 AC6602 [0,1,0,1,0,0|0,0,2]=4 96 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 N14303 [0,1,0,1,0,0|0,0,2]=4 97 B11R1.230 CCCC[C@@H]1NC(=O)OC1=O AC5829 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.230 CCCC[C@@H]1NC(=O)OC1=O AC8929 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.20 NC1CCC(CC(=O)O)CC1 D76125 [0,1,0,1,0,0|0,0,2]=4 100 B11R1.20 O=C(O)CN1CCC(O)CC1 C80012 [0,1,0,1,0,0|1,0,1]=4 101 B11R1.20 O=C(O)C[C@H]1CC[C@@H](O)CC1 A11165 [0,1,0,1,0,0|0,0,2]=4 102 B11R1.25 COC(=O)CNC1CCCC1 AB10047 [0,1,0,1,0,0|1,0,1]=4 103 B11R1.852 COC(=O)[C@@H]1CCCCCN1 I11326 [0,1,0,1,0,0|1,0,1]=4 104 B11R1.737 O=C(O)C1(O)CCCCCC1 D87048 [0,1,0,1,0,0|0,0,2]=4 105 B11R2.106 O=C1OCCC2CCNC12 33376 [0,0,0,2,0,0|1,0,1]=4 106 B11R2.1 O=C1OC[C@H]2CCCCN12 D87354 [0,0,0,2,0,0|1,0,1]=4 107 B11R2.845 O=C(O)C1NC2CCC1C2 W14573 [0,0,0,2,0,0|1,0,1]=4 108 B11R2.845 O=C(O)N1CC2CCC1C2 F52740 [0,0,0,2,0,0|1,0,1]=4 109 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 AT22442 [0,0,0,2,0,0|1,0,1]=4 110 B11R2.141 O=C(O)[C@H]1CC12CCCC2 C77582 [0,0,0,2,0,0|0,0,2]=4