0 B18R2.67047 Cc1cc(OCc2c[s]c[n]2)c(cc1)[C@@H](C)N Amb23972849 [0,0,0,0,0,0|3,0,1]=4 1 B18R2.67047 Cc1ccc(C(C)C)c(c1)OCC2CNCC2 Amb21956976 [0,0,0,0,0,0|3,0,1]=4 2 B18R2.67047 Cc1ccc(C(C)O)c(c1)OCC2CCCO2 Amb23972905 [0,0,0,0,0,0|3,0,1]=4 3 B18R2.67047 Cc1ccc([C@@H](C)N)c(c1)OCC2CCCO2 Amb23972880 [0,0,0,0,0,0|3,0,1]=4 4 B18R2.67047 Cc1ccc([C@@H](C)O)c(c1)OCC2CCCC2 Amb23972975 [0,0,0,0,0,0|3,0,1]=4 5 B18R2.67047 Cc1ccc([C@@H](C)O)c(c1)OCc2[n]oc[n]2 Amb23972956 [0,0,0,0,0,0|2,0,2]=4 6 B18R2.67047 Cc1ccc(c(c1)OCc2nnco2)C(C)C Amb2266740 [0,0,0,0,0,0|2,0,1]=3 7 B17R2.5678 CC(c1ccccc1NCC2CCCN2)C Amb17243442 [1,0,0,0,0,0|2,0,1]=4 8 B17R2.5678 CC(c1ccccc1OCC2OCCO2)C Amb17245530 [1,0,0,0,0,0|2,0,1]=4 9 B17R2.5678 CC(c1ccccc1OC[C@@H]2CCCN2)C Amb17051844 [1,0,0,0,0,0|1,0,1]=3 10 B17R2.5678 CC(c1ccccc1OCc2n[nH]nn2)C Amb17243163 [1,0,0,0,0,0|2,0,1]=4 11 B19R2.45048 Cc1ccc(C(C)C)c(c1)OCc2[n][n]c(N)o2 Amb18665932 [0,1,0,0,0,0|2,0,1]=4 12 B19R2.45048 Cc1ccc(c(c1)OCc2nnc(s2)N)C(C)C Amb1397806 [0,1,0,0,0,0|2,0,1]=4 13 B19R2.103463 Cc1ccc(c(c1)OC[C@@H]2CCCN2)C(C)(C)C Amb17051871 [0,1,0,0,0,0|1,0,1]=3 14 B19R2.103467 Cc1cc(OCc2[n]cc[n]2C)c(cc1)[C@@H](C)O Amb23972923 [0,1,0,0,0,0|1,0,2]=4 15 B19R2.1327875 Cc1ccc(C(C)NC)c(c1)OCC2CCCC2 Amb23972822 [0,1,0,0,0,0|2,0,1]=4 16 B19R2.1327875 Cc1ccc(C(C)NC)c(c1)OCc2[n]oc[n]2 Amb23972806 [0,1,0,0,0,0|1,0,2]=4 17 B17R1.4132 Cc1ccc(C(C)C)c(c1)OCCOCCO Amb23924418 [0,0,1,0,0,0|2,0,1]=4 18 B17R1.4132 OCCNCCOc1cc(C)ccc1C(C)C Amb17144722 [0,0,1,0,0,0|1,0,1]=3 19 B17R1.4839 Cc1ccc(C(C)C)c(c1)OCC(=O)N=C=S Amb20410758 [0,0,1,0,0,0|2,0,1]=4 20 B17R1.4839 Cc1ccc(C(C)C)c(c1)OCC(=O)NCC Amb23215638 [0,0,1,0,0,0|1,0,0]=2 21 B17R1.4839 Cc1ccc(C(C)N)c(c1)OCC(=O)OCC Amb23972793 [0,0,1,0,0,0|3,0,0]=4 22 B17R1.4839 Cc1ccc([C@@H](C)N)c(c1)OCC(=O)NCC Amb23972882 [0,0,1,0,0,0|2,0,0]=3 23 B17R1.4839 Cc1ccc([C@@H](C)N)c(c1)OCC(=O)OCC Amb23972865 [0,0,1,0,0,0|3,0,0]=4 24 B17R1.4839 Cc1ccc([C@@H](C)O)c(c1)OCC(=O)OCC Amb23972967 [0,0,1,0,0,0|3,0,0]=4 25 B16R1.3900 OCCNCCOc1ccccc1C(C)C Amb17143949 [1,0,1,0,0,0|1,0,1]=4 26 B16R1.1302 Cc1ccc(C(C)C)c(c1)OCC(=N)NC Amb24070153 [1,0,1,0,0,0|0,0,0]=2 27 B16R1.1302 Cc1ccc(C(C)C)c(c1)OCC(=O)NC Amb21618256 [1,0,1,0,0,0|1,0,0]=3 28 B16R2.1480 CCc1ccccc1OCC2=NCCN2 Amb17075364 [2,0,0,0,0,0|0,0,0]=2 29 B16R2.1480 CCc1ccccc1OC[C@@H]2CCCN2 Amb17051834 [2,0,0,0,0,0|1,0,1]=4 30 B16R2.1480 COc1ccccc1CCC=2NCCN2 Amb18567018 [2,0,0,0,0,0|2,0,0]=4 31 B16R2.1480 COc1ccccc1OCC2=NCCN2 Amb17075361 [2,0,0,0,0,0|1,0,0]=3 32 B16R2.12623 Cc1ccc(c(c1)OCC2=NCCN2)C Amb17075376 [2,0,0,0,0,0|0,0,0]=2 33 B16R2.12623 Cc1ccc(c(c1)OCC2=NCCN2)Cl Amb17075403 [2,0,0,0,0,0|1,0,0]=3 34 B16R2.12623 Cc1ccc(c(c1)OC[C@@H]2CCCN2)C Amb17051831 [2,0,0,0,0,0|1,0,1]=4 35 B16R2.12623 Clc1ccc(c(c1)OCC2=NCCN2)Cl Amb17075407 [2,0,0,0,0,0|2,0,0]=4 36 B18R1.8735 Cc1ccc(C(C)C)c(c1)OCCNCCCC Amb20077831 [0,1,1,0,0,0|1,0,1]=4 37 B18R1.8735 Cc1ccc(C(C)C)c(c1)OCCNCCOC Amb20172921 [0,1,1,0,0,0|1,0,1]=4 38 B18R1.10058 C#CCNC(=O)COc1cc(C)ccc1C(C)C Amb123337 [0,1,1,0,0,0|1,0,1]=4 39 B18R1.10058 Cc1ccc([C@@H](C)O)c(c1)OCC(=O)NCCC Amb23972985 [0,1,1,0,0,0|2,0,0]=4 40 B18R1.33486 Cc1ccc(C(C)C)c(c1)OCCNC(C)CC Amb20204570 [0,1,1,0,0,0|1,0,1]=4 41 B18R1.4870 CCOC(=O)COc1cc(C)ccc1C(C)(C)C Amb2552699 [0,1,1,0,0,0|2,0,0]=4 42 B18R1.6101 CCOC(=O)C(Oc1cc(C)ccc1C(C)C)C Amb1945937 [0,1,1,0,0,0|2,0,0]=4 43 B18R1.6101 Cc1ccc(C(C)C)c(c1)OC(C)C(=O)NCC Amb23086808 [0,1,1,0,0,0|1,0,0]=3 44 B18R1.6101 Cc1ccc(C(C)O)c(c1)OC(C)C(=O)NCC Amb23972931 [0,1,1,0,0,0|2,0,0]=4 45 B18R1.6101 Cc1ccc([C@@H](C)N)c(c1)OC(C)C(=O)NCC Amb23972850 [0,1,1,0,0,0|2,0,0]=4 46 B18R1.6101 Cc1ccc([C@@H](C)O)c(c1)OC(C)C(=O)NCC Amb23972957 [0,1,1,0,0,0|2,0,0]=4 47 B18R1.17917 Cc1ccc(C(C)N)c(c1)OCC(=O)NC(C)C Amb23972781 [0,1,1,0,0,0|2,0,0]=4 48 B18R1.17917 Cc1ccc([C@@H](C)N)c(c1)OCC(=O)NC(C)C Amb23972840 [0,1,1,0,0,0|2,0,0]=4 49 B18R1.17917 Cc1ccc([C@@H](C)O)c(c1)OCC(=O)NC(C)C Amb23972951 [0,1,1,0,0,0|2,0,0]=4 50 B18R1.34888 Cc1ccc(C(C)C)c(c1)OCC(=O)N(C)CC Amb20960990 [0,1,1,0,0,0|1,0,0]=3 51 B18R1.34888 Cc1ccc(C(C)C)c(c1)OCC(=O)N(C)OC Amb20684771 [0,1,1,0,0,0|2,0,0]=4 52 B18R1.34888 Cc1ccc([C@@H](C)N)c(c1)OCC(=O)N(C)CC Amb23972861 [0,1,1,0,0,0|2,0,0]=4 53 B18R1.216940 Cc1ccc(C(C)NC)c(c1)OCC(=O)NCC Amb23972809 [0,1,1,0,0,0|1,0,0]=3 54 B18R1.217058 CCOC(=O)COc1cc(C)c(cc1C(C)C)Br Amb1395719 [0,1,1,0,0,0|2,0,0]=4 55 B18R1.217058 CONC(=O)COc1cc(C)c(cc1C(C)C)Cl Amb10192289 [0,1,1,0,0,0|2,0,0]=4 56 B18R2.14566 CC(C)(C)c1ccccc1OCC=2NCCN2 Amb24080671 [1,1,0,0,0,0|0,0,0]=2 57 B18R2.14566 CC(c1ccccc1OCC2=NCCN2)(C)C Amb17075369 [1,1,0,0,0,0|0,0,0]=2 58 B18R2.14566 CC(c1ccccc1OC[C@@H]2CCCN2)(C)C Amb17051857 [1,1,0,0,0,0|1,0,1]=4 59 B20R2.156304 Cc1ccc(c(c1)OCC2CCCNC2)C(C)(C)C Amb17051904 [0,1,0,0,0,1|1,0,1]=4 60 B20R2.659731 Cc1ccc(c(c1)OCc2nnc(n2N)S)C(C)C Amb2281506 [0,2,0,0,0,0|1,0,1]=4 61 B18R3.36582 C(Oc1ccccc1C2CC2)C=3NCCN3 Amb22732431 [1,0,0,1,0,0|0,0,0]=2 62 B18R3.36582 C1CN=C(N1)COc2ccccc2C3CC3 Amb17577189 [1,0,0,1,0,0|0,0,0]=2 63 B16R1.1519 Cc1ccc(C(C)C)c(c1)OC(=O)CCC Amb24063772 [0,0,1,0,1,0|2,0,0]=4 64 B16R2.6384 COc1ccc(Cl)cc1CC=2NCCN2 Amb18571162 [1,0,0,0,1,0|2,0,0]=4 65 B16R2.6384 COc1ccc(F)cc1CC=2NCCN2 Amb18568344 [1,0,0,0,1,0|2,0,0]=4 66 B16R2.6384 Cc1ccc(OC)c(CC=2NCCN2)c1 Amb18567028 [1,0,0,0,1,0|1,0,0]=3 67 B18R2.7138 CC(C)c1ccccc1OCC2CNCCC2 Amb21957554 [1,0,0,0,0,1|1,0,1]=4 68 B18R2.7138 CC(C)c1ccccc1OCC2COCCN2 Amb18575540 [1,0,0,0,0,1|1,0,1]=4 69 B18R2.7138 CC(C)c1ccccc1OCC2CSCCN2 Amb18073113 [1,0,0,0,0,1|1,0,1]=4 70 B18R2.9004 Cc1ccc(cc1OC[C@@H]2CCCN2)C(C)C Amb17051859 [0,0,0,0,1,1|1,0,1]=4 71 B20R2.156502 Cc1ccc(C(C)C)c(c1)OCCC2CCCCN2 Amb21956975 [0,0,0,0,0,2|1,0,1]=4 72 B20R2.156502 Cc1ccc(C(C)C)c(c1)OCCC2CNCCC2 Amb21956974 [0,0,0,0,0,2|1,0,1]=4