0 B11R1.20 CC(=O)NC1CCC(CC1)O CDS000512 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)N PH018847 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.20 CC(=O)OC1CCC(CC1)O S722197 [0,0,0,0,0,0|1,0,2]=3 3 B11R1.20 CN1CCC(CC1)OC(=O)N PH012385 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.1 C=CCN1CCC(=O)CC1 CDS014282 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.1 CCOC1CCC(=O)CC1 MNO000113 [1,0,0,0,0,0|1,0,1]=3 6 B10R1.1 CN1CCC(CC1)CC=O CDS012007 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.18 CC(=O)CC1CCCCC1 CDS001548 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.18 CC(=O)CN1CCCCC1 R433675 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.18 CC(=O)CN1CCOCC1 CDS006278 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.18 CC(=O)NC1CCCCC1 PH004244 [1,0,0,0,0,0|0,0,1]=2 11 B10R1.18 CC(=O)NC1CCNCC1 CDS000127 [1,0,0,0,0,0|1,0,0]=2 12 B10R1.18 CN(C)NC1CCCCC1 PH001375 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.18 N=C(N)NC1CCCCC1 L255009 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.18 NC(=O)NC1CCCCC1 S375047 [1,0,0,0,0,0|1,0,1]=3 15 B10R1.18 NC(=S)NC1CCCCC1 PH002195 [1,0,0,0,0,0|1,1,1]=4 16 B10R1.18 O=C(O)CC1CCNCC1 CBR01414 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.18 O=C(O)CC1CCNCC1 CDS007853 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.18 O=C(O)CC1CCNCC1 CDS021798 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.18 O=C(O)CC1CCOCC1 CDS006056 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.106 CS(=O)(=O)NC1CCC(CC1)O CDS023771 [0,1,0,0,0,0|1,0,2]=4 21 B10R0.55 CC[C@H](O)CCCCC(=O)C T263230 [0,0,1,0,0,0|1,0,2]=4 22 B10R0.55 COC(=O)CCCNC(=N)N S784184 [0,0,1,0,0,0|3,0,0]=4 23 B10R1.13 CC(=O)N1CCC(CC1)N CDS010756 [0,0,0,0,1,0|2,0,1]=4 24 B10R1.13 CC(C)N1CCC(=O)CC1 S563617 [0,0,0,0,1,0|2,0,1]=4 25 B10R1.13 CC(C)[C@@H]1CCC(=O)OC1 T295736 [0,0,0,0,1,0|2,0,1]=4 26 B10R1.13 CN(C)N1CCC(=O)CC1 CBR01632 [0,0,0,0,1,0|3,0,0]=4 27 B10R1.13 CN1CCC(CC1)C(=O)O PH009778 [0,0,0,0,1,0|3,0,0]=4 28 B10R1.13 NC1CCC(CC1)C(=O)O CDS000161 [0,0,0,0,1,0|2,0,1]=4 29 B10R1.13 O=C(O)C1CCC(CC1)F MNO000187 [0,0,0,0,1,0|2,0,1]=4 30 B10R1.13 [C@@H]1(CC[C@H](CC1)C(=O)O)O ANV00233 [0,0,0,0,1,0|1,0,2]=4 31 B10R1.54 CC(=O)O[C@H]1C=CC(=O)C1 T272566 [0,0,0,0,1,0|1,0,2]=4 32 B9R0.55 CC(=O)NCCNC(=O)C S389382 [1,0,1,0,0,0|1,0,0]=3 33 B9R0.14 CCCC(CC)NC(=O)N S502553 [1,0,1,0,0,0|1,0,1]=4 34 B9R1.1 N#CC1CCC(=O)CC1 CDS023626 [2,0,0,0,0,0|1,0,1]=4 35 B9R1.1 O=C1CCC(CC1)CO CDS017814 [2,0,0,0,0,0|0,0,2]=4 36 B11R0.22 CCN(CC)CCCNC(=O)C S380199 [0,1,1,0,0,0|2,0,0]=4 37 B11R0.106 COC(=O)NCCNC(=O)OC T330965 [0,1,1,0,0,0|2,0,0]=4 38 B11R0.106 O=C(CCl)NCCNC(=O)CCl S47881 [0,1,1,0,0,0|2,0,0]=4 39 B11R0.176 CCCC(=O)OCCCC(=O)C R396044 [0,1,1,0,0,0|2,0,0]=4 40 B11R0.176 CCOC(=O)CSCCC(=O)C PH010101 [0,1,1,0,0,0|2,0,0]=4 41 B11R0.149 CC(=O)NC(O)C(O)NC(=O)C R395838 [0,1,1,0,0,0|2,0,0]=4 42 B11R1.36 CC(=O)C(C)C1CCCCC1 S497606 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.40 CCC(=O)NC1CCCCC1 PH004228 [1,1,0,0,0,0|0,0,1]=3 44 B11R1.40 CNC(=O)NC1CCCCC1 S604569 [1,1,0,0,0,0|0,0,1]=3 45 B11R1.40 CNC(=S)NC1CCCCC1 PH010046 [1,1,0,0,0,0|0,1,1]=4 46 B11R1.40 COC(=O)CC1CCNCC1 CDS003616 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.40 O=C(CBr)OC1CCCCC1 PH001483 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.40 O=C(CCl)OC1CCCCC1 PH009865 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.40 O=C(CI)NC1CCCCC1 PH006183 [1,1,0,0,0,0|0,0,1]=3 50 B11R1.40 O=C(NO)NC1CCCCC1 PH008314 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.86 NC(=O)N[C@@H]1CC=CC[C@H]1I T168203 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.509 CS(=O)(=O)NC1CCNCC1 CBR02346 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.509 CS(=O)(=O)NC1CCNCC1 CDS013122 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.928 CC(=O)NC1(CCCCC1)C PH011306 [1,1,0,0,0,0|0,0,1]=3 55 B11R1.19 C[Si](C)(C)C1CCC(=O)CC1 S764620 [0,1,0,0,1,0|1,1,0]=4 56 B11R1.80 CC(=O)CC1CC(C(=O)O1)C T161233 [0,1,0,0,1,0|2,0,0]=4 57 B11R1.710 CC(=O)OC1CCS(=O)(=O)C1 PH004385 [0,1,0,0,1,0|2,0,0]=4 58 B13R1.19 CCOC(=O)NC1CCC(CC1)O EME00426 [0,2,0,0,0,0|0,0,2]=4 59 B13R1.2679 COC(=O)N[C@@H]1CC=C(C[C@H]1I)C T167738 [0,2,0,0,0,0|1,0,1]=4 60 B13R1.2680 COC(=O)CC1CCS(=O)(=O)CC1 PHB00066 [0,2,0,0,0,0|2,0,0]=4 61 B11R1.75 CC(=O)CCC1CCC(=O)C1 T242535 [0,0,1,1,0,0|1,0,0]=3 62 B11R1.742 CC(=O)OC1CCC=CCC1 T166618 [0,0,1,1,0,0|2,0,0]=4 63 B11R2.10 O=C1CC2CC=CC[C@@H]2O1 S330272 [1,0,0,1,0,0|1,0,1]=4 64 B11R2.10 [C@H]12CCCC[C@@H]1CC(=O)N2 T299146 [1,0,0,1,0,0|0,0,1]=3 65 B11R2.678 O=C1CC2CCCC(C1)C2 T293415 [1,0,0,1,0,0|1,0,1]=4 66 B11R2.1852 [C@H]12CC=CC[C@H]1N2C(=O)C T178322 [1,0,0,1,0,0|0,0,1]=3 67 B11R2.533 [C@H]12C[C@H](C1(C)C)CCC2=O R229253 [0,0,0,1,1,0|1,0,1]=4 68 B11R2.66 [C@H]12C=C(C[C@H]1C(=O)CC2)C T227854 [0,0,0,1,1,0|2,0,0]=4 69 B13R2.5120 N1CC2(CCC1=O)COC(=O)C2 S113859 [0,0,0,1,0,1|2,0,0]=4 70 B9R0.1 COC(=O)CSCC(=O)C PH010376 [0,0,1,0,1,0|2,0,0]=4 71 B9R0.53 CC(=O)NC(C)NC(=O)C S841404 [0,0,1,0,1,0|1,0,0]=3 72 B9R0.53 CC(=O)SC(C)CC(=O)O S357278 [0,0,1,0,1,0|2,0,0]=4 73 B9R1.6 CC(=O)C1CCCCC1 PH000084 [1,0,0,0,1,0|0,0,1]=3 74 B9R1.6 CC(=O)C1CCCNC1 CBR02306 [1,0,0,0,1,0|1,0,1]=4 75 B9R1.6 O=C(Cl)C1CC=CCC1 PH015122 [1,0,0,0,1,0|1,0,1]=4 76 B9R1.6 O=C(Cl)C1CCOCC1 CDS016614 [1,0,0,0,1,0|2,0,0]=4 77 B9R1.6 O=C(Cl)C1CCOCC1 SYX00374 [1,0,0,0,1,0|2,0,0]=4 78 B9R1.13 CC(=O)C=C1CCCC1 L170097 [1,0,0,0,1,0|1,0,1]=4 79 B9R1.13 CC(=O)CC1CCCC1 L162353 [1,0,0,0,1,0|1,0,0]=3 80 B9R1.13 CC(=O)OC1CCCC1 CDS018837 [1,0,0,0,1,0|1,0,0]=3 81 B9R1.13 NC(=O)NC1CCCC1 S345148 [1,0,0,0,1,0|1,0,0]=3 82 B9R1.13 O=C(Cl)CC1CCCC1 CDS001438 [1,0,0,0,1,0|2,0,0]=4 83 B11R0.6 CC(=O)OCCC(C)OC(=O)C S507261 [0,0,1,0,0,1|1,0,0]=3 84 B11R0.6 CC(=O)O[C@@H](C)CCC=C(C)C T291226 [0,0,1,0,0,1|2,0,0]=4 85 B11R0.85 CC(=O)OCC(C)CCC(=O)O PH015210 [0,0,1,0,0,1|2,0,0]=4 86 B11R1.91 C=C(C)CNC1CCCCC1 PH012104 [1,0,0,0,0,1|1,0,1]=4 87 B11R1.91 CC(=O)NCC1CCCNC1 CBR01926 [1,0,0,0,0,1|1,0,1]=4 88 B11R1.91 CC(=O)NCC1CCNCC1 CBR01056 [1,0,0,0,0,1|1,0,0]=3 89 B11R1.91 NC(=O)NCC1CCCCC1 S517046 [1,0,0,0,0,1|1,0,1]=4 90 B11R1.91 O=C(O)CNC1CCCCC1 PH010418 [1,0,0,0,0,1|1,0,1]=4