0 B12R1.891 [2H]C([2H])([2H])NCC1=CC=CC=C1 D99269 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.91 C[C@H](O)CCC1=CC=NC=C1 AT24513 [1,0,0,0,0,0|1,0,0]=2 2 B13R1.352 N[C@@H](CC(F)(F)F)C1=CC=CC=C1 AT15153 [0,1,0,0,0,0|3,0,0]=4 3 B13R1.512 CS(=O)(=O)CCC1=CC=C(Br)C=C1 D75574 [0,1,0,0,0,0|2,0,1]=4 4 B13R2.173 C[C@]1(N)C[C@@H](C2=CC=CC=C2)C1 D79061 [0,0,0,1,0,0|1,0,0]=2 5 B13R2.222 CC1(C)NCC2=C(C=CC=C2)O1 D87992 [0,0,0,1,0,0|1,0,0]=2 6 B13R1.3523 CC(C)(O)COCC1=CC=CC=C1 AT19586 [0,0,0,0,0,1|0,0,0]=1 7 B13R1.3523 [2H]C([2H])([2H])CCCC1=CC=CC=C1 D99441 [0,0,0,0,0,1|3,0,0]=4 8 B10R1.17 ICCCC1=CN=CC=C1 E70092 [2,0,0,0,0,0|2,0,0]=4 9 B12R1.27 C[C@@H](CN)OCC1=CC=CC=C1 AT22581 [1,1,0,0,0,0|1,0,0]=3 10 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 F31051 [1,1,0,0,0,0|1,0,0]=3 11 B12R1.27 NC[C@@H](F)CCC1=CC=CC=C1 D76606 [1,1,0,0,0,0|1,0,0]=3 12 B12R1.43 N[13C@@H](CC1=CC=CC=C1)C(=O)O D98682 [1,1,0,0,0,0|1,0,1]=4 13 B12R1.119 CC(C)(N)CC1=CC=CC(Br)=C1 AT24486 [0,1,0,0,1,0|1,0,0]=3 14 B12R1.119 CC(C)(O)CC1=CC(N)=CC=C1 D75585 [0,1,0,0,1,0|0,0,0]=2 15 B12R1.151 CC(C)(O)CC1=C(Br)C=CC=N1 AT24027 [0,1,0,0,1,0|1,0,0]=3 16 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 51065 [0,1,0,0,1,0|0,0,0]=2 17 B12R1.564 CC(C)(O)[C@H](N)C1=CC=NC=C1 86470 [0,1,0,0,1,0|1,0,0]=3 18 B12R1.564 CC(C)(O)[C@H](N)C1=NC=CC=C1 86469 [0,1,0,0,1,0|1,0,0]=3 19 B14R1.147 CC1=CC=CC(CNCC(C)(C)O)=C1 D75588 [0,1,0,0,0,1|0,0,0]=2 20 B14R1.292 OCC(F)(F)COCC1=CC=CC=C1 AT22293 [0,1,0,0,0,1|2,0,0]=4 21 B12R2.22 Br[C@H]1C[C@@H](C2=CC=CC=C2)C1 AT21926 [1,0,0,1,0,0|1,0,0]=3 22 B12R2.22 Br[C@H]1C[C@H](C2=CC=CC=C2)C1 AT21928 [1,0,0,1,0,0|1,0,0]=3 23 B12R2.22 NC1CC(C2=CC=NC=C2)C1 F53676 [1,0,0,1,0,0|2,0,0]=4 24 B12R2.24 N[C@@H]1CNC2=C(C=CC=C2)C1 71293 [1,0,0,1,0,0|2,0,0]=4 25 B12R2.24 N[C@H]1CCC2=CC=CN=C2C1 C14593 [1,0,0,1,0,0|2,0,0]=4 26 B12R2.2403 CC1(C)NCC2=C1C=CN=C2 86458 [1,0,0,1,0,0|2,0,0]=4 27 B12R2.3190 CC(=O)[C@@H]1CC2=C1C=CC=C2 E72984 [1,0,0,1,0,0|0,0,2]=4 28 B14R2.412 CC1(C)CNCC2=C(C=CC=C2)C1 C93026 [0,0,0,1,0,1|1,0,0]=3 29 B14R2.4893 CC1(O)CN(CC2=CC=CC=C2)C1 D97142 [0,0,0,1,0,1|0,0,0]=2 30 B14R2.29496 CC1(C)CC(=O)C2=C(C=CC=C2)S1 E73136 [0,1,0,1,0,0|0,1,1]=4 31 B14R2.29496 CC1(C)C[C@H](N)C2=CC=CN=C2O1 C90732 [0,1,0,1,0,0|1,0,0]=3 32 B14R2.29496 CC1(C)C[C@H](N)C2=CC=CN=C2O1 C90733 [0,1,0,1,0,0|1,0,0]=3 33 B14R2.29496 CC1(C)C[C@H](N)C2=CC=CN=C2O1 F30421 [0,1,0,1,0,0|1,0,0]=3 34 B14R2.29496 CC1(C)N=C(Cl)C2=C(C=CC=C2)O1 AT23840 [0,1,0,1,0,0|1,0,1]=4 35 B14R2.4491 CC1(C)CCC2=C(C=C(O)C=C2)O1 D86170 [0,1,0,1,0,0|0,0,0]=2 36 B14R2.4491 CC1(C)CNC2=C(C=C(Br)C=C2)C1 AC9612 [0,1,0,1,0,0|2,0,0]=4 37 B14R3.4387 NC12CC(C3=CC=CC=C3)(C1)C2 P12849 [0,0,0,2,0,0|1,0,0]=3 38 B14R3.4387 NC12CC(C3=CC=CC=C3)(C1)C2 P16050 [0,0,0,2,0,0|1,0,0]=3 39 B10R1.18 CC(C)NC1=NC=CC=C1 D86001 [1,0,0,0,1,0|2,0,0]=4 40 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [1,0,0,0,1,0|1,0,1]=4 41 B10R1.281 CC(C)(O)CN1C=CC=N1 AT24023 [0,0,0,0,2,0|2,0,0]=4 42 B12R1.252 C[C@H](N)COCC1=CC=CC=C1 75113 [1,0,0,0,0,1|1,0,0]=3 43 B12R1.252 C[C@H](O)CCCC1=CC=NC=C1 AT26625 [1,0,0,0,0,1|1,0,0]=3