0 B18R1.162192 CC(C)(C)NCC(O)COc1cc(Cl)ccc1Cl Amb22054664 [0,0,0,0,0,0|0,0,0]=0 1 B18R1.162192 CC(C)(C)NCC(O)COc1cc(Cl)ccc1Cl Amb24080256 [0,0,0,0,0,0|0,0,0]=0 2 B18R1.162192 OC(COc1cc(C)ccc1C)CNC(C)(C)C Amb2456109 [0,0,0,0,0,0|2,0,0]=2 3 B18R1.162192 OC(COc1cc(C)ccc1Cl)CNC(C)(C)C Amb17597387 [0,0,0,0,0,0|1,0,0]=1 4 B17R1.8834 Cc1cccc(c1)SCC(O)CCC(C)(C)C Amb24017021 [1,0,0,0,0,0|2,1,0]=4 5 B17R1.9099 CC(C)OCC(O)COc1cc(F)ccc1Cl Amb24203162 [1,0,0,0,0,0|1,1,0]=3 6 B17R1.11257 OC(COc1ccccc1C)CNC(C)(C)C Amb2520836 [1,0,0,0,0,0|1,0,0]=2 7 B19R1.936706 Cc1ccc(C)c(OCC(O)CNC(C)(C)C)c1C Amb22270029 [0,1,0,0,0,0|2,0,0]=3 8 B19R2.103461 Cc1cc(OCC2CNC(C)(C)CO2)c(C)cc1 Amb18582655 [0,0,0,1,0,0|2,0,0]=3 9 B19R2.103461 Cc1ccc(Cl)c(c1)OCC2CNC(C)(C)CO2 Amb18593769 [0,0,0,1,0,0|1,0,0]=2 10 B17R1.9100 CC(C)(C)NC(=O)COc1cc(Cl)ccc1N Amb23946724 [0,0,0,0,1,0|1,0,2]=4 11 B17R1.9100 CC(C)(C)OC(=O)COc1cc(Cl)ccc1Cl Amb22266626 [0,0,0,0,1,0|1,0,2]=4 12 B17R1.9100 O=C(NC(C)(C)C)COc1cc(C)ccc1Cl Amb1533060 [0,0,0,0,1,0|1,0,2]=4 13 B17R1.9100 O=C(NC(C)(C)C)COc1cc(Cl)ccc1Cl Amb1494933 [0,0,0,0,1,0|0,0,2]=3 14 B17R1.96785 CC(CNC(C)(C)C)Cc1cc(F)ccc1F Amb23950919 [0,0,0,0,1,0|1,2,0]=4 15 B17R1.96785 Cc1cc(OC(C)CNC(C)(C)C)c(C)cc1 Amb20077574 [0,0,0,0,1,0|3,0,0]=4 16 B17R1.96785 O=C(Nc1cc(Cl)ccc1Cl)CNC(C)(C)C Amb125616 [0,0,0,0,1,0|1,0,2]=4 17 B16R1.11227 Cc1cccc(c1)OCC(O)CNC(C)C Amb19375581 [2,0,0,0,0,0|1,0,0]=3 18 B16R1.22556 CC(C)(C)NCC(=O)COc1ccccc1 Amb22410837 [2,0,0,0,0,0|0,0,2]=4 19 B16R1.22556 OC(COc1ccccc1)CNC(C)(C)C Amb1922316 [2,0,0,0,0,0|0,0,0]=2 20 B16R1.22556 OC(COc1ccccc1)CNC(C)(C)C Amb21781 [2,0,0,0,0,0|0,0,0]=2 21 B16R1.8819 CC(C)(C)NCCNCc1ccccc1Cl Amb20140336 [2,0,0,0,0,0|2,0,0]=4 22 B16R1.7334 CCOCC(O)COc1cc(Cl)ccc1Cl Amb24249214 [2,0,0,0,0,0|1,0,0]=3 23 B18R1.6867 CC(C)(C)NCC(O)COc1cc(ccc1)C#N Amb23920627 [1,1,0,0,0,0|1,0,0]=3 24 B18R1.6867 COc1cc(ccc1)OCC(O)CNC(C)(C)C Amb23457790 [1,1,0,0,0,0|1,0,0]=3 25 B18R1.10014 CC(C)(C)OCC(O)CNc1cccc(Cl)c1F Amb23920677 [1,1,0,0,0,0|2,0,0]=4 26 B18R1.10014 CC(CNC(C)(C)C)COc1cccc(F)c1F Amb23962210 [1,1,0,0,0,0|1,1,0]=4 27 B18R1.16106 OCC(NCC(COc1cccc(c1)C)O)(C)C Amb2541531 [1,1,0,0,0,0|1,0,0]=3 28 B18R1.32558 CC(C)(C)OCC(O)CNc1cc(Cl)c(Cl)cc1 Amb23920531 [1,1,0,0,0,0|2,0,0]=4 29 B18R1.32558 OC(COc1ccc(c(c1)C)C)CNC(C)(C)C Amb1197808 [1,1,0,0,0,0|1,0,0]=3 30 B18R1.96704 OC(COc1cc(C)cc(c1)C)CNC(C)(C)C Amb1197846 [1,1,0,0,0,0|1,0,0]=3 31 B18R1.16297 OCC(NCC(COc1ccccc1C)O)(C)C Amb2520861 [1,1,0,0,0,0|1,0,0]=3 32 B18R1.17760 OC(COc1c(C)cccc1C)CNC(C)(C)C Amb1197814 [1,1,0,0,0,0|1,0,0]=3 33 B18R1.38875 CC(C)(C)NCC(O)COc1ccccc1C#N Amb20670849 [1,1,0,0,0,0|1,0,0]=3 34 B18R1.38875 CC(C)(C)NCC(O)COc1ccccc1C#N Amb22167347 [1,1,0,0,0,0|1,0,0]=3 35 B18R1.38875 COc1ccccc1OCC(CNC(C)(C)C)O Amb1301749 [1,1,0,0,0,0|1,0,0]=3 36 B18R1.38875 COc1ccccc1OCC(O)CNC(C)(C)C Amb17760691 [1,1,0,0,0,0|1,0,0]=3 37 B18R1.162271 CC(C)(C)NCC(O)COc1ccc(Cl)cc1N Amb22481284 [1,1,0,0,0,0|1,0,0]=3 38 B18R1.162271 CC(C)(C)OCC(O)CNc1ccc(F)cc1Cl Amb23920701 [1,1,0,0,0,0|2,0,0]=4 39 B18R1.162271 Cc1ccc(OCC(C)CNC(C)(C)C)c(Cl)c1 Amb23953368 [1,1,0,0,0,0|1,0,0]=3 40 B18R1.162271 Cc1ccc(OCC(O)CNC(C)(C)C)c(Cl)c1 Amb23954511 [1,1,0,0,0,0|0,0,0]=2 41 B18R1.161720 O=C(NC(C)(C)C)COc1cc(Cl)c(cc1Cl)Cl Amb1608233 [0,1,0,0,1,0|0,0,2]=4 42 B20R1.9968 Cc1ccc(c(c1)OCC(O)CNC(C)(C)C)[N+]([O-])=O Amb21867948 [0,2,0,0,0,0|2,0,0]=4 43 B20R1.9968 OC(COc1cc(C)ccc1[N+](=O)[O-])CNC(C)(C)C Amb1778554 [0,2,0,0,0,0|2,0,0]=4 44 B18R2.65902 CC1(C)COC(CN1)COc2cc(Cl)ccc2 Amb18585695 [1,0,0,1,0,0|0,0,0]=2 45 B18R2.65902 CC1(C)COC(CN1)COc2cc(F)ccc2 Amb18577081 [1,0,0,1,0,0|0,1,0]=3 46 B18R2.65902 Cc1cccc(c1)OCC2CNC(C)(C)CO2 Amb18575522 [1,0,0,1,0,0|1,0,0]=3 47 B18R2.285822 Cc1ccc(Cl)cc1N2CC(C)(C)NCCC2 Amb23993822 [1,0,0,1,0,0|2,0,0]=4 48 B18R2.39760 CC1(C)COC(CN1)COc2ccccc2Cl Amb18585693 [1,0,0,1,0,0|0,0,0]=2 49 B18R2.39760 CC1(C)COC(CN1)COc2ccccc2F Amb18577079 [1,0,0,1,0,0|0,1,0]=3 50 B18R2.39760 Cc1ccccc1OCC2CNC(C)(C)CO2 Amb18575520 [1,0,0,1,0,0|1,0,0]=3 51 B18R2.4036 CC1CNC(CN1c2cc(Cl)ccc2Cl)(C)C Amb17276891 [0,0,0,1,1,0|2,0,0]=4 52 B18R2.66988 CC1(C)COC(CN1)Cc2cc(Cl)ccc2Cl Amb18076753 [0,0,0,1,1,0|0,0,0]=2 53 B18R2.66988 Cc1cc(CC2CNC(C)(C)CO2)c(C)cc1 Amb18574137 [0,0,0,1,1,0|2,0,0]=4 54 B18R2.66988 Cc1ccc(Cl)cc1CC2CNC(C)(C)CO2 Amb18584645 [0,0,0,1,1,0|1,0,0]=3 55 B20R2.155738 Cc1cc(OCC2CNC(C)(C)CO2)c(C)cc1C Amb18591171 [0,1,0,1,0,0|2,0,0]=4 56 B20R2.2716832 Cc1ccc(C)c(OCC2CNC(C)(C)CO2)c1C Amb18591169 [0,1,0,1,0,0|2,0,0]=4 57 B16R1.6904 Cc1cc(c[s]1)OCC(O)CNC(C)(C)C Amb24080257 [1,0,0,0,1,0|2,0,0]=4 58 B16R1.7301 Cc1cccc(c1)OC(C)CNC(C)(C)C Amb20077566 [1,0,0,0,1,0|2,0,0]=4 59 B16R1.7473 CC(C)(C)NCCNc1cc(Cl)ccc1Cl Amb20140310 [1,0,0,0,1,0|1,0,0]=3 60 B16R1.7473 Cc1ccc(Cl)cc1NCCNC(C)(C)C Amb20140312 [1,0,0,0,1,0|2,0,0]=4 61 B16R1.11405 CC(C)NC(=O)COc1cc(Cl)ccc1Cl Amb22275316 [1,0,0,0,1,0|0,0,2]=4 62 B16R1.7424 CC(C)(C)NCC(C)Oc1ccccc1Cl Amb20077578 [1,0,0,0,1,0|1,0,0]=3 63 B16R1.7424 Cc1ccccc1OC(C)CNC(C)(C)C Amb20077567 [1,0,0,0,1,0|2,0,0]=4 64 B16R1.7493 Cc1ccc(c(c1)C(CNC(C)(C)C)O)C Amb17342216 [0,0,0,0,2,0|2,0,0]=4 65 B16R1.7493 OC(c1cc(F)ccc1F)CNC(C)(C)C Amb17344278 [0,0,0,0,2,0|0,2,0]=4