0 B11R1.16 NCCC(=O)C1=CC=CC=C1 AC9010 [1,0,0,0,0,0|2,0,0]=3 1 B11R1.16 NCCC(=O)C1=CC=CC=C1 D76552 [1,0,0,0,0,0|2,0,0]=3 2 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Br)C=C1 D96422 [0,1,0,0,0,0|2,0,1]=4 3 B13R1.132 CC(C)C[C@H](N)C1=CC=C(Br)C=C1 D96459 [0,1,0,0,0,0|2,0,1]=4 4 B13R2.10 C[C@H]1CN=C(C2=CC=NC=C2)N1 E70261 [0,0,0,1,0,0|3,0,0]=4 5 B13R2.328 CC1CC2=C(C=CC=C2)C(C)N1 AT22656 [0,0,0,1,0,0|2,0,1]=4 6 B13R2.328 C[C@H]1CC2=C(C=NC=C2)B(O)O1 AT12943 [0,0,0,1,0,0|2,0,1]=4 7 B13R2.3201 CC1(C)C[C@@]1(N)C2=CC=CC=C2 E73018 [0,0,0,1,0,0|2,0,1]=4 8 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 T70930 [0,0,0,0,1,0|1,0,1]=3 9 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15520 [0,0,0,0,1,0|2,0,1]=4 10 B12R1.16 CCOC(=O)C1=NC=C(O)C=N1 AT23880 [1,1,0,0,0,0|2,0,0]=4 11 B12R1.17 CCOC(=O)C1=NC(O)=NC=C1 C90447 [1,1,0,0,0,0|2,0,0]=4 12 B12R1.308 CCOC(=O)C1=NN=CC=C1C P12979 [1,1,0,0,0,0|2,0,0]=4 13 B12R1.27 C[C@@H](CN)OCC1=CC=CC=C1 AT22581 [1,1,0,0,0,0|0,0,1]=3 14 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 F31051 [1,1,0,0,0,0|0,0,1]=3 15 B12R1.20 CC(C)N(C)C1=CC=C(Br)C=C1 D76386 [0,1,0,0,1,0|2,0,0]=4 16 B12R1.20 CN(C)C(=S)C1=CC=C(Br)C=C1 AC8349 [0,1,0,0,1,0|1,1,0]=4 17 B12R1.564 CC(C)(O)[C@H](N)C1=CC=CC=C1 51065 [0,1,0,0,1,0|1,0,1]=4 18 B12R1.265 CC(C)(C)OC(=O)C1=CN=CN1 D76602 [0,1,0,0,1,0|2,0,0]=4 19 B14R1.683 CC(C)(C)OC(=O)C1=CN=C(Br)C=N1 D76268 [0,2,0,0,0,0|2,0,0]=4 20 B14R1.683 CC(C)(C)OC(=O)C1=CN=C(Cl)C=N1 D76267 [0,2,0,0,0,0|2,0,0]=4 21 B14R1.694 CC(C)OS(=O)(=O)C1=CN=C(Br)C=C1 O11832 [0,2,0,0,0,0|2,0,0]=4 22 B14R1.74 C#CC1=CC=CC(C(=O)NC(C)C)=C1 D75640 [0,2,0,0,0,0|1,0,0]=3 23 B14R1.840 CC(C)OC(=O)C1=NC=CC=C1CO AT19999 [0,2,0,0,0,0|1,0,0]=3 24 B12R2.138 O=C1C2=C(C=CC=C2)C1(F)F AT11817 [0,0,0,1,1,0|2,0,0]=4 25 B14R2.21 C[C@@H]1CNC[C@@H](C2=CC=CC=C2)O1 F19006 [0,1,0,1,0,0|1,0,1]=4 26 B14R2.21 C[C@H]1CNC[C@@H](C2=CC=CC=C2)O1 F19005 [0,1,0,1,0,0|1,0,1]=4 27 B14R2.8732 CC1(C)NC(=O)C2=C1C=C(O)C=C2 32114 [0,1,0,1,0,0|1,0,0]=3 28 B14R2.8732 CC1(C)NC(=O)C2=C1N=C(Cl)C=C2 84004 [0,1,0,1,0,0|2,0,0]=4 29 B14R2.8732 CC1(C)OC(=O)C2=C1C=C(N)C=C2 AT25891 [0,1,0,1,0,0|0,0,0]=2 30 B14R2.8732 CC1(C)OC(=O)C2=C1C=C(N)C=C2 AT25893 [0,1,0,1,0,0|0,0,0]=2 31 B14R2.8732 CC1(C)OC(=O)C2=C1N=C(N)C=C2 AT25894 [0,1,0,1,0,0|1,0,0]=3 32 B14R2.29365 C[C@H]1CC2=C(C=CC(Br)=C2)C(=O)N1 O11545 [0,1,0,1,0,0|1,0,0]=3 33 B14R2.4643 CC1(C)OB(O)C2=C1C=CC(F)=C2 D74060 [0,1,0,1,0,0|1,0,1]=4 34 B14R2.4643 CC1(C)OB(O)C2=C1C=CC(N)=C2 W19351 [0,1,0,1,0,0|1,0,1]=4 35 B14R2.29496 CC1(C)CC(=O)C2=C(C=CC=C2)S1 E73136 [0,1,0,1,0,0|1,0,0]=3 36 B14R2.29496 CC1(C)N=C(Cl)C2=C(C=CC=C2)O1 AT23840 [0,1,0,1,0,0|2,0,0]=4 37 B14R3.12265 O=C1NC2(CC2)C3=C1C=CC=C3 D72995 [0,0,0,2,0,0|1,0,0]=3 38 B10R1.18 CC(C)NC1=NC=CC=C1 D86001 [1,0,0,0,1,0|2,0,0]=4 39 B12R1.252 C[C@H](N)COCC1=CC=CC=C1 75113 [1,0,0,0,0,1|1,0,1]=4