0 B23R3.17141 O=C(c1ccccc1C)OCC2CCCN3C2CCCC3 Amb1988008 [0,0,0,0,0,0|1,0,0]=1 1 B24R3.11906289 C[N+]12CCCC(COC(=O)c3ccccc3O)C1CCCC2 Amb20664917 [0,1,0,0,0,0|2,0,1]=4 2 B24R3.11906289 O=C(c1ccccc1C)OCC2CCC[N+]3(C2CCCC3)C Amb16448995 [0,1,0,0,0,0|1,0,1]=3 3 B24R3.123233571 C[C@@H](c1ncccc1C)NC[C@]2(O)CCCN3[C@@H]2CCCC3 Amb13936709 [0,1,0,0,0,0|2,0,1]=4 4 B22R2.284105 O=C(c1ccccc1Cl)NCCCCCN2CCCCC2 Amb16898973 [0,0,1,0,0,0|1,0,0]=2 5 B22R2.284105 O=C(c1ccccc1F)NCCCCCN2CCCCC2 Amb16901362 [0,0,1,0,0,0|1,0,0]=2 6 B22R2.284105 Oc1c[n]ccc1C(=O)NCCCCCN2CCOCC2 Amb23409224 [0,0,1,0,0,0|3,0,0]=4 7 B22R2.569966 Cc1c[n]ccc1C(=O)NCC2CN(CCC2)CCOC Amb24140787 [0,0,1,0,0,0|2,0,0]=3 8 B24R3.22045 O=C(Nc1ccccc1F)OCC2CCCN3C2CCCC3 Amb1047976 [0,0,0,0,0,1|2,0,0]=3 9 B21R2.13154 O=C(c1ccccc1)NCCCCCN2CCCCC2 Amb16899931 [1,0,1,0,0,0|0,0,0]=2 10 B21R2.13154 O=C(c1ccccn1)NCCCCCN2CCCCC2 Amb16901583 [1,0,1,0,0,0|1,0,0]=3 11 B21R2.13154 O=C(c1cccnc1)NCCCCCN2CCCCC2 Amb16899843 [1,0,1,0,0,0|1,0,0]=3 12 B21R2.13154 O=C(c1ccncc1)NCCCCCN2CCCCC2 Amb16902207 [1,0,1,0,0,0|1,0,0]=3 13 B21R2.13154 O=C(c1cnccn1)NCCCCCN2CCCCC2 Amb16900972 [1,0,1,0,0,0|2,0,0]=4 14 B21R2.14183 CCCN1CCCCC1CCOC(=O)c2ccccc2 Amb24089466 [1,0,1,0,0,0|1,0,0]=3 15 B23R2.161949 CN1CCN(CC1)CCCCCNC(=O)c2ccccc2Cl Amb16898974 [0,1,1,0,0,0|2,0,0]=4 16 B23R2.161949 CN1CCN(CC1)CCCCCNC(=O)c2ccccc2F Amb16901363 [0,1,1,0,0,0|2,0,0]=4 17 B23R2.397415 Cc1cc(Cl)ccc1C(=O)NCCCCCN2CCOCC2 Amb23426542 [0,1,1,0,0,0|1,0,0]=3 18 B23R2.397415 Oc1cc(F)ccc1C(=O)NCCCCCN2CCOCC2 Amb23416124 [0,1,1,0,0,0|2,0,0]=4 19 B23R2.838200 COc1ccccc1C(=O)NCCCCCN2CCCCC2 Amb16901167 [0,1,1,0,0,0|0,0,0]=2 20 B23R2.791227 COCCN1CCCC(C1)CNC(=O)c2ccc(F)cc2O Amb24158024 [0,1,1,0,0,0|2,0,0]=4 21 B23R2.791227 COCCN1CCCC(C1)CNC(=O)c2ccc(O)cc2F Amb24175804 [0,1,1,0,0,0|2,0,0]=4 22 B23R2.791227 Cc1cc(O)ccc1C(=O)NCC2CN(CCC2)CCOC Amb23415387 [0,1,1,0,0,0|1,0,0]=3 23 B23R3.17033 CN(Cc1ccccc1O)C[C@@H]2CCCN3[C@@H]2CCCC3 Amb13945413 [1,1,0,0,0,0|1,0,1]=4 24 B23R3.88252124 Clc1ccccc1CNC[C@]2(O)CCCN3[C@@H]2CCCC3 Amb13933570 [1,1,0,0,0,0|1,0,1]=4 25 B23R3.1408 Fc1ccc(cc1)C(=O)OCC2CCCN3C2CCCC3 Amb1915166 [1,1,0,0,0,0|1,0,0]=3 26 B23R3.1408 Nc1ccc(cc1)C(=O)OC[C@@H]2CCCN3[C@@H]2CCCC3 Amb1028002 [1,1,0,0,0,0|1,0,0]=3 27 B23R3.44037 Nc1cccc([n]1)C(=O)NC[C@@H]2CCCN3CCCC[C@@H]32 Amb22614191 [1,1,0,0,0,0|1,0,0]=3 28 B23R3.131879 Cc1[n]c(C)c([s]1)C(=O)NC[C@@H]2CCCN3CCCC[C@@H]32 Amb24124514 [0,1,0,0,1,0|2,0,0]=4 29 B23R3.3655509 C[n]1c[n]c(C)c1C(=O)NC[C@@H]2CCCN3CCCC[C@@H]32 Amb24174099 [0,1,0,0,1,0|2,0,0]=4 30 B25R3.2636950 Oc1cc(C(=O)NCC[C@@H]2CCCN3CCCC[C@@H]32)c(F)cc1 Amb24132859 [0,1,0,0,0,1|1,0,0]=3 31 B25R3.3730691 Oc1cc(F)c(cc1)C(=O)NCC[C@@H]2CCCN3CCCC[C@@H]32 Amb24165277 [0,1,0,0,0,1|1,0,0]=3 32 B25R3.8894029 COc1ccccc1C(=O)OCC2CCC[N+]3(C)CCCCC32 Amb20664913 [0,2,0,0,0,0|1,0,1]=4 33 B23R3.17139 O=C(N[C@@H]1COC[C@H]1N2CCCCC2)c3ccccc3Cl Amb23388570 [0,0,1,1,0,0|2,0,0]=4 34 B25R4.19460869 O=C1c2cc[n]cc2N=CN1C[C@@H]3CCCN4CCCC[C@@H]43 Amb19577636 [0,1,0,1,0,0|1,0,1]=4 35 B25R4.28223010 O=C1c2ccccc2C(=O)N1CC3CCCN4CCCCC43 Amb20418354 [0,1,0,1,0,0|0,0,1]=3 36 B21R2.109809 C[n]1cccc1C(=O)NCCCCCN2CCOCC2 Amb23388748 [0,0,1,0,1,0|2,0,0]=4 37 B21R2.205888 Cc1ccccc1C(=O)NCCCOC2CCCCC2 Amb21688274 [0,0,1,0,1,0|2,0,0]=4 38 B21R2.205888 O=C(c1ccccc1Br)NCCCCN2CCCCC2 Amb16901536 [0,0,1,0,1,0|1,0,0]=3 39 B21R2.205888 O=C(c1ccccc1Br)NCCCCN2CCOCC2 Amb11156599 [0,0,1,0,1,0|2,0,0]=4 40 B21R2.205888 O=C(c1ccccc1C)NCCCCN2CCOCC2 Amb15714442 [0,0,1,0,1,0|1,0,0]=3 41 B21R2.205888 O=C(c1ccccc1Cl)NCCCCN2CCCCC2 Amb16898969 [0,0,1,0,1,0|1,0,0]=3 42 B21R2.205888 O=C(c1ccccc1Cl)NCCCCN2CCOCC2 Amb11156605 [0,0,1,0,1,0|2,0,0]=4 43 B21R2.205888 O=C(c1ccccc1F)NCCCCN2CCCCC2 Amb16901357 [0,0,1,0,1,0|1,0,0]=3 44 B21R2.205888 O=C(c1ccccc1F)NCCCCN2CCOCC2 Amb11156582 [0,0,1,0,1,0|2,0,0]=4 45 B21R2.205888 O=C(c1ccccc1O)NCCCCN2CCOCC2 Amb11172390 [0,0,1,0,1,0|2,0,0]=4 46 B21R3.525 Cc1ccccc1OC[C@@H]2CCCN3CCCC[C@@H]32 Amb19738670 [1,0,0,0,1,0|1,0,0]=3 47 B21R3.525 Cc1ncccc1OC[C@@H]2CCCN3[C@@H]2CCCC3 Amb13947743 [1,0,0,0,1,0|2,0,0]=4 48 B21R3.525 Nc1ccccc1OCC2CCCN3CCCCC32 Amb23512857 [1,0,0,0,1,0|2,0,0]=4 49 B21R3.525 Nc1ccccc1SCC2CCCN3CCCCC32 Amb22757816 [1,0,0,0,1,0|2,0,0]=4 50 B21R3.8332 Nc1ccccc1C(=O)NC2CCN3CCCCC32 Amb24809356 [0,0,0,0,2,0|1,0,0]=3 51 B21R3.8332 O=C(NC1CCN2CCCCC21)c3ccccc3Br Amb19435421 [0,0,0,0,2,0|1,0,0]=3 52 B21R3.8332 O=C(c1ccccc1C)NC2CCN3C2CCCC3 Amb15713244 [0,0,0,0,2,0|0,0,0]=2 53 B21R3.8332 O=C(c1ccccc1F)NC2CCN3C2CCCC3 Amb11358639 [0,0,0,0,2,0|1,0,0]=3 54 B21R3.18309 Cc1ccccc1C(=O)N2CCCC3CCCCC23 Amb20784276 [0,0,0,0,2,0|2,0,0]=4 55 B23R2.7855033 O=C(c1ccccc1F)NCCCCCN2CCCCCC2 Amb16901365 [0,0,1,0,0,1|1,0,0]=3