0 B15R1.2995 CC(C)(C)c1ccc(cc1)CC(=O)OC TS16580 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.2995 CC(C)(C)c1ccc(cc1)NC(=O)CCl TS24091 [0,0,0,0,0,0|3,0,0]=3 2 B15R1.2995 CC(Cc1ccc(cc1)C(C)(C)C)C=O TS74517 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.66 CC(C)(C)c1ccc(cc1)C=CC=O TS50787 [1,0,0,0,0,0|2,0,1]=4 4 B14R1.66 CC(C)(C)c1ccc(cc1)CCCO TS51542 [1,0,0,0,0,0|2,0,1]=4 5 B14R1.66 CC(C)(C)c1ccc(cc1)CN=[N+]=[N-] TS16226 [1,0,0,0,0,0|3,0,0]=4 6 B14R1.806 CC(=O)Nc1ccc(cc1)C(C)(C)C TS17352 [1,0,0,0,0,0|1,0,0]=2 7 B14R1.806 CC(C)(C)c1ccc(cc1)CC(=O)O TS46560 [1,0,0,0,0,0|0,0,0]=1 8 B14R1.806 CS(=O)(=O)c1ccc(cc1)CC(=O)O TS21667 [1,0,0,0,0,0|3,0,0]=4 9 B14R1.806 c1cc(ccc1CC(=O)O)C(F)(F)F TS19697 [1,0,0,0,0,0|3,0,0]=4 10 B14R1.2879 CC(C)c1ccc(cc1)NC(=O)CCl TS21222 [1,0,0,0,0,0|3,0,0]=4 11 B14R1.2879 CC(C)c1ccc(cc1)NC(=O)NC TS51518 [1,0,0,0,0,0|2,0,0]=3 12 B16R1.1531 CCOC(=O)Cc1ccc(cc1)C(F)(F)F TS55932 [0,1,0,0,0,0|3,0,0]=4 13 B16R1.1637 COC(=O)C(c1ccc(cc1)C(F)(F)F)N TS30725 [0,1,0,0,0,0|3,0,0]=4 14 B16R1.2917 CC(C)(C)c1ccc(c(c1)Br)NC(=O)CCl TS60455 [0,1,0,0,0,0|3,0,0]=4 15 B14R1.719 CC(C)(C)c1ccc(cc1)C(=O)CCl TS21046 [0,0,0,0,1,0|2,0,0]=3 16 B14R1.719 CC(C)(C)c1ccc(cc1)C(=O)NN TS51515 [0,0,0,0,1,0|2,0,0]=3 17 B14R1.719 CC(C)(C)c1ccc(cc1)C(=O)OC TS39903 [0,0,0,0,1,0|0,0,0]=1 18 B14R1.719 CCC(=O)c1ccc(cc1)C(C)(C)C TS51168 [0,0,0,0,1,0|1,0,0]=2 19 B14R1.719 COC(=O)c1ccc(cc1)C(F)(F)F TS38545 [0,0,0,0,1,0|3,0,0]=4 20 B14R1.719 COC(=O)c1ccc(cc1)S(=O)(=O)C TS85323 [0,0,0,0,1,0|3,0,0]=4 21 B13R1.140 CC(C)(C)c1ccc(cc1)CC#N TS02250 [2,0,0,0,0,0|1,0,1]=4 22 B13R1.140 CC(C)(C)c1ccc(cc1)CC=C TS13560 [2,0,0,0,0,0|0,0,1]=3 23 B13R1.140 CC(C)(C)c1ccc(cc1)CCN TS14095 [2,0,0,0,0,0|1,0,1]=4 24 B13R1.140 CC(C)(C)c1ccc(cc1)CCO TS14272 [2,0,0,0,0,0|0,0,1]=3 25 B13R1.140 CC(C)(C)c1ccc(cc1)C[N+]#[C-] TS13383 [2,0,0,0,0,0|1,0,1]=4 26 B13R1.140 CC(C)(C)c1ccc(cc1)N=C=O TS45971 [2,0,0,0,0,0|1,0,1]=4 27 B13R1.585 CC(C)c1ccc(cc1)CC(=O)C TS13904 [2,0,0,0,0,0|0,0,0]=2 28 B13R1.585 CC(C)c1ccc(cc1)CC(=O)O TS09731 [2,0,0,0,0,0|0,0,0]=2 29 B13R1.585 CC(C)c1ccc(cc1)NC(=O)C TS46320 [2,0,0,0,0,0|1,0,0]=3 30 B13R1.585 CC(C)c1ccc(cc1)OC(=O)C TS14222 [2,0,0,0,0,0|1,0,0]=3 31 B13R1.585 CN(C)c1ccc(cc1)CC(=O)O TS47731 [2,0,0,0,0,0|1,0,0]=3 32 B13R1.5 COC(=O)Cc1ccc(cc1)C#N TS01636 [2,0,0,0,0,0|1,0,1]=4 33 B13R1.5 COc1ccc(cc1)CC(=O)OC TS14607 [2,0,0,0,0,0|1,0,0]=3 34 B13R1.5 COc1ccc(cc1)NC(=O)OC TS48078 [2,0,0,0,0,0|2,0,0]=4 35 B15R1.317 CCC(C)(C)c1ccc(cc1)OC(=O)C TS39040 [1,1,0,0,0,0|1,0,0]=3 36 B15R1.23262 CC(C)(C)c1ccc(cc1)CS(=O)(=O)Cl TS27534 [1,1,0,0,0,0|1,0,1]=4 37 B15R1.495 CC(C)c1ccc(cc1)NC(=O)N(C)C TS39072 [1,1,0,0,0,0|2,0,0]=4 38 B15R1.2994 COC(=O)Cc1ccc(cc1)C(=O)OC TS09137 [1,1,0,0,0,0|1,0,1]=4 39 B15R1.990 CC(C)(C)c1ccc(cc1I)C(=O)OC TS61371 [0,1,0,0,1,0|0,0,0]=2 40 B17R1.875 CC(C)(C)c1ccc(cc1)C(=O)CC(=O)OC TS56498 [0,1,0,0,0,1|0,0,0]=2 41 B17R1.5027 CCOC(=O)C(=O)c1ccc(cc1)C(C)(C)C TS56499 [0,2,0,0,0,0|0,0,1]=3 42 B15R2.9243 CC(C)(C)c1ccc2c(c1)CCC2=O TS50785 [0,0,0,1,1,0|1,0,0]=3 43 B17R2.276254 Cc1cc(=O)oc2c1cc(cc2)C(C)(C)C TS22096 [0,1,0,1,0,0|2,0,0]=4 44 B13R1.338 B(c1ccc(cc1)C(C)(C)C)(O)O TS03196 [1,0,0,0,1,0|1,0,1]=4 45 B13R1.338 CC(=O)c1ccc(cc1)C(C)(C)C TS03194 [1,0,0,0,1,0|0,0,0]=2 46 B13R1.338 CC(C)(C)c1ccc(cc1)C(=N)N TS44275 [1,0,0,0,1,0|2,0,0]=4 47 B13R1.338 CC(C)(C)c1ccc(cc1)C(=N)N TS46180 [1,0,0,0,1,0|2,0,0]=4 48 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)Cl TS18383 [1,0,0,0,1,0|1,0,0]=3 49 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)N TS46319 [1,0,0,0,1,0|1,0,0]=3 50 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)O TS33176 [1,0,0,0,1,0|0,0,0]=2 51 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)[O-] TS37887 [1,0,0,0,1,0|0,0,1]=3 52 B13R1.338 CC(C)(C)c1ccc(cc1)C(=O)[O-] TS69843 [1,0,0,0,1,0|0,0,1]=3 53 B13R1.338 CC(C)(C)c1ccc(cc1)C(=S)N TS17719 [1,0,0,0,1,0|1,1,0]=4 54 B13R1.338 CC(C)(C)c1ccc(cc1)N(C)C TS14094 [1,0,0,0,1,0|2,0,0]=4 55 B13R1.338 CC(C)(C)c1ccc(cn1)C(=O)O TS85622 [1,0,0,0,1,0|1,0,0]=3 56 B13R1.338 C[C@@H](c1ccc(cc1)C(C)(C)C)N TS08106 [1,0,0,0,1,0|1,0,1]=4 57 B13R1.338 C[C@H](c1ccc(cc1)C(C)(C)C)N TS08059 [1,0,0,0,1,0|1,0,1]=4 58 B13R1.537 CC(=O)c1ccc(cc1)C(=O)OC TS08589 [1,0,0,0,1,0|1,0,1]=4 59 B13R1.537 CC(C)c1ccc(cc1)C(=O)CBr TS57510 [1,0,0,0,1,0|2,0,0]=4 60 B13R1.537 CC(C)c1ccc(cc1)C(=O)NN TS47577 [1,0,0,0,1,0|2,0,0]=4 61 B13R1.537 CC(C)c1ccc(cc1)C(=O)OC TS14220 [1,0,0,0,1,0|0,0,0]=2 62 B13R1.537 CN(C)c1ccc(cc1)C(=O)OC TS47747 [1,0,0,0,1,0|1,0,0]=3 63 B15R1.1075 CC(C)(C)Oc1ccc(cc1)CC(=O)O TS43475 [1,0,0,0,0,1|0,0,0]=2