0 B14R2.20 CC1=CC=C([C@@H]2CNC(=O)C2)C=C1 65774 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.20 CC1=CC=C([C@H]2CCC(=O)C2)C=C1 C92458 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.20 CC1=CC=C([C@H]2CCC(=O)C2)C=C1 C92463 [0,0,0,0,0,0|4,0,0]=4 3 B14R2.20 CC1=NC(C2=CC=C(N)C=C2)=NO1 E71382 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.20 ClC1=CC=C(N2C=CC(Cl)=N2)C=C1 92067 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.20 NC1=CC(C2=CC=C(F)C=C2)=NO1 T71349 [0,0,0,0,0,0|2,1,1]=4 6 B14R2.20 NC1=CC=C(C2=CSC(N)=N2)C=C1 91146 [0,0,0,0,0,0|1,1,2]=4 7 B14R2.20 NC1=NC(C2=CC=C(Br)C=C2)=CO1 D85515 [0,0,0,0,0,0|0,1,2]=3 8 B14R2.20 NC1=NC(C2=CC=C(Br)C=C2)=NS1 31218 [0,0,0,0,0,0|1,2,1]=4 9 B14R2.20 NC1=NC=C(C2=CC=C(Cl)C=C2)O1 D88037 [0,0,0,0,0,0|2,0,2]=4 10 B14R2.20 O=C1CCC(C2=CC=C(Br)C=C2)N1 91622 [0,0,0,0,0,0|2,1,1]=4 11 B14R2.20 O=C1CCC(C2=CC=C(Cl)C=C2)N1 91621 [0,0,0,0,0,0|2,0,1]=3 12 B14R2.20 O=C1CC[C@@H](C2=CC=C(Cl)C=C2)N1 C15480 [0,0,0,0,0,0|2,0,1]=3 13 B14R2.20 O=C1CC[C@H](C2=CC=C(Br)C=C2)C1 94439 [0,0,0,0,0,0|3,1,0]=4 14 B14R2.20 O=C1CC[C@H](C2=CC=C(Br)C=C2)C1 94442 [0,0,0,0,0,0|3,1,0]=4 15 B14R2.20 O=C1CC[C@H](C2=CC=C(F)C=C2)C1 C92460 [0,0,0,0,0,0|3,1,0]=4 16 B14R2.20 O=C1CC[C@H](C2=CC=C(F)C=C2)C1 C92461 [0,0,0,0,0,0|3,1,0]=4 17 B14R2.20 O=C1C[C@H](C2=CC=C(Br)C=C2)CN1 65769 [0,0,0,0,0,0|3,1,0]=4 18 B14R2.20 O=C1C[C@H](C2=CC=C(Cl)C=C2)CN1 65754 [0,0,0,0,0,0|3,0,0]=3 19 B14R2.20 O=C1N[C@H](C2=CC=C(Br)C=C2)CO1 C77587 [0,0,0,0,0,0|1,1,1]=3 20 B13R2.10 NC1=NC(C2=CC=CC=C2)=NN1 AT24335 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.10 NC1=NN(C2=CC=CC=C2)N=C1 S10660 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.10 NC1=NNC(C2=CC=CC=C2)=N1 W13327 [1,0,0,0,0,0|2,0,1]=4 23 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 C15346 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.12 ClC1=CC=C(C2=NC=CN2)C=C1 AC6111 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.12 NC1=CC=C(C2=NOC=N2)C=C1 AT21597 [1,0,0,0,0,0|2,0,1]=4 26 B15R2.2 CC1=NC(C2=CC=C(CCl)C=C2)=CO1 89681 [0,1,0,0,0,0|1,0,2]=4 27 B15R2.299 NC1=CC(C2=CC(Cl)=C(Cl)C=C2)=NO1 AC6240 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.14 COC(=O)C#CC1=CC=C(Cl)C=C1 T72904 [0,0,1,0,0,0|2,0,1]=4 29 B13R1.14 COC(=O)CCC1=CC=C(N)C=C1 C77100 [0,0,1,0,0,0|3,0,0]=4 30 B13R1.14 COC(=O)CNC1=CC=C(Cl)C=C1 Y11148 [0,0,1,0,0,0|3,0,0]=4 31 B13R2.147 NC1CC(C2=CC=C(Br)C=C2)C1 F53252 [0,0,0,0,1,0|1,1,1]=4 32 B13R2.147 NC1CC(C2=CC=C(Br)C=C2)C1 F53253 [0,0,0,0,1,0|1,1,1]=4 33 B13R2.147 NC1CC(C2=CC=C(F)C=C2)C1 F53254 [0,0,0,0,1,0|1,1,1]=4 34 B13R2.147 NC1CC(C2=CC=C(F)C=C2)C1 F53309 [0,0,0,0,1,0|1,1,1]=4 35 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)C1 91860 [0,0,0,0,1,0|2,1,0]=4 36 B13R2.147 O=C1C[C@@H](C2=CC=C(F)C=C2)N1 D77336 [0,0,0,0,1,0|1,1,1]=4 37 B15R2.98 O=C1N[C@@H](CC2=CC=C(Cl)C=C2)CO1 D86286 [0,0,0,0,0,1|1,0,1]=3 38 B12R1.12 CN[C@@H](CO)C1=CC=C(Cl)C=C1 N12948 [1,0,1,0,0,0|0,0,2]=4 39 B12R1.16 COC[C@H](N)C1=CC=C(Cl)C=C1 N13032 [1,0,1,0,0,0|0,0,2]=4 40 B12R1.16 NCC[C@H](O)C1=CC=C(Cl)C=C1 74612 [1,0,1,0,0,0|1,0,1]=4 41 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11665 [1,0,1,0,0,0|0,0,2]=4 42 B12R1.252 N=C(N)SCCC1=NC=CC=C1 F17998 [1,0,1,0,0,0|1,1,0]=4 43 B14R1.10 COC(=O)C[C@H](N)C1=CC=C(Cl)C=C1 F16899 [0,1,1,0,0,0|2,0,0]=4 44 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(Cl)C=C1 I11820 [0,1,1,0,0,0|2,0,0]=4 45 B14R2.22 O=C1N[C@H](C2=CC=CC(Br)=C2)CO1 C77588 [1,1,0,0,0,0|1,0,1]=4 46 B14R2.1 ClCC1=CC=C(C2=COC=N2)C=C1 89614 [1,1,0,0,0,0|0,0,2]=4 47 B14R2.1 ClCC1=CC=C(C2=COC=N2)C=C1 89881 [1,1,0,0,0,0|0,0,2]=4 48 B14R2.739 ClC1=CC(Br)=C(C2=COC=N2)C=C1 96297 [1,1,0,0,0,0|0,0,2]=4 49 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 AC9688 [0,0,1,1,0,0|2,0,0]=4 50 B12R1.49 CCC(=O)CC1=CC=C(Cl)C=C1 N12627 [0,0,1,0,1,0|2,0,0]=4 51 B12R1.49 CC[C@H](N)CC1=CC=C(Cl)C=C1 N14547 [0,0,1,0,1,0|1,0,1]=4 52 B12R1.49 COC(=O)CC1=NC=C(Cl)C=C1 93630 [0,0,1,0,1,0|2,0,0]=4 53 B12R1.20 C[C@@H](C(=O)O)C1=CC=C(N)C=C1 AC1408 [0,0,1,0,1,0|2,0,0]=4 54 B12R1.20 C[C@@H](C(N)=O)C1=CC=C(Br)C=C1 AC1413 [0,0,1,0,1,0|0,1,1]=4 55 B12R1.20 O=C(O)[C@H](F)C1=CC=C(Cl)C=C1 98571 [0,0,1,0,1,0|2,0,0]=4 56 B12R2.22 O=C1C[C@@H](C2=CC=CC=C2)N1 76187 [1,0,0,0,1,0|1,0,1]=4 57 B12R2.79 NC1CC1C2=CC=C(F)C=C2 96610 [0,0,0,0,2,0|0,1,1]=4 58 B12R2.79 NC1CC1C2=CC=C(O)C=C2 AT19453 [0,0,0,0,2,0|1,0,1]=4 59 B12R2.79 NC1CC1C2=CC=C(O)C=C2 D88027 [0,0,0,0,2,0|1,0,1]=4 60 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 96593 [0,0,0,0,2,0|0,1,1]=4 61 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 E72639 [0,0,0,0,2,0|0,1,1]=4 62 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 FD10509 [0,0,0,0,2,0|0,1,1]=4