0 B12R2.18 CN1C(=O)NC2=C1N=CC=N2 D74841 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.18 N[C@H]1CC2=C(C=CC=C2)[C@H]1O C74202 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.18 O=C1NC2=C(N=CC=C2)C1=O C14907 [0,0,0,0,0,0|2,0,1]=3 3 B12R2.18 [2H]C1=CC2=C(C=CC=C2)N1C AC6975 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.1 OC1=CSC2=C1C=CN=C2 AT25103 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.10 ClC1=NC2=C(C=NC=C2)N1 CS2601 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.45 O=CC1=C(I)C2=C(C=CC=C2)N1 W19263 [0,1,0,0,0,0|2,0,0]=3 7 B13R2.3028 CN1C(=O)NC2=C1N=C(Br)C=N2 D76744 [0,1,0,0,0,0|3,0,0]=4 8 B13R2.3028 CN1C(Cl)=NC2=C1C=C(Cl)C=C2 E72598 [0,1,0,0,0,0|2,0,1]=4 9 B13R2.3028 O=C1SC2=C(C=C(Cl)C=C2)C1=O AT25623 [0,1,0,0,0,0|2,0,1]=4 10 B13R2.3085 CC1=C(I)N(C)C2=C1C=CC=C2 D77270 [0,1,0,0,0,0|3,0,0]=4 11 B13R2.4825 CN1C(=O)CC2=C1C=CC=C2N AC8496 [0,1,0,0,0,0|2,0,0]=3 12 B13R2.4825 C[C@@H]1C(=O)NC2=C(Br)C=CC=C21 D72111 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.5190 CC1=CC2=C(C=C1)[C@H](N)C(=O)N2 W10069 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.5190 CN1C(=O)NC2=C1C=CC(N)=C2 C75569 [0,1,0,0,0,0|1,0,0]=2 15 B11R1.40 CNC(=O)NC1=CC=CC=C1 D77088 [0,0,1,0,0,0|1,0,0]=2 16 B13R2.328 O=C1NC2=C(C=CN=C2)C(=O)O1 AT21429 [0,0,0,0,0,1|2,0,1]=4 17 B13R2.328 O=C1NC2=C(C=NC=C2)C(=O)O1 AT21428 [0,0,0,0,0,1|2,0,1]=4 18 B13R2.328 O=C1NC2=C(N=CC=C2)C(=O)O1 AT21426 [0,0,0,0,0,1|2,0,1]=4 19 B13R2.369 NC1=CC2=C(C=CC=C2)NC1=O AC9491 [0,0,0,0,0,1|2,0,0]=3 20 B10R1.18 O=C(Cl)NC1=CC=CC=C1 D86031 [1,0,1,0,0,0|1,0,0]=3 21 B10R1.18 O=C(O)CC1=CC=CC=C1 AT24078 [1,0,1,0,0,0|1,0,0]=3 22 B10R1.20 C=CC1=C(CO)C=CC=C1 S11028 [1,0,1,0,0,0|2,0,0]=4 23 B10R1.61 C[C@H](O)C1=C(N)C=CC=C1 D75506 [1,0,1,0,0,0|1,0,1]=4 24 B10R2.7 C1=CC2=C(C=C1)[Se]C=C2 AC9469 [2,0,0,0,0,0|2,0,0]=4 25 B12R2.1 CON1C=CC2=C1C=CC=C2 D76676 [1,1,0,0,0,0|1,0,0]=3 26 B12R2.132 CC1=CNC2=C1C=C(N)C=C2 AT22652 [1,1,0,0,0,0|2,0,0]=4 27 B12R2.132 [2H]C1=CC2=C(C=C1)C=CN2C AC5657 [1,1,0,0,0,0|2,0,0]=4 28 B12R2.196 [2H]C1=CC=CC2=C1C=CN2C AC5544 [1,1,0,0,0,0|2,0,0]=4 29 B12R2.203 [2H]C1=C2C(=CC=C1)C=CN2C AC5545 [1,1,0,0,0,0|2,0,0]=4 30 B12R2.612 [2H]C1=CC2=C(C=C1)N(C)C=C2 AC4998 [1,1,0,0,0,0|2,0,0]=4 31 B12R2.32 C#CC1=CC2=C(C=CC=C2)N1 AT21565 [1,1,0,0,0,0|2,0,0]=4 32 B12R2.202 CC1=CC2=CC=CC(F)=C2N1 AT16035 [1,1,0,0,0,0|2,0,0]=4 33 B12R2.202 ClC1=NC2=C(Br)C=CC=C2N1 79223 [1,1,0,0,0,0|1,0,1]=4 34 B12R2.202 O=C1CC2=C(C=CN=C2Br)N1 D72986 [1,1,0,0,0,0|2,0,0]=4 35 B12R2.202 O=C1CC2=C(C=CN=C2Cl)N1 P19236 [1,1,0,0,0,0|2,0,0]=4 36 B12R2.202 O=C1CC2=C(C=CN=C2F)N1 D72987 [1,1,0,0,0,0|2,0,0]=4 37 B12R2.202 O=C1CC2=C(Cl)C=NC=C2N1 D72976 [1,1,0,0,0,0|2,0,0]=4 38 B12R2.202 O=C1CC2=C(F)C=NC=C2N1 D72975 [1,1,0,0,0,0|2,0,0]=4 39 B12R2.202 O=C1CC2=C(N1)C(Br)=NC=C2 D72980 [1,1,0,0,0,0|2,0,0]=4 40 B12R2.202 O=C1CC2=C(N1)C(F)=NC=C2 D72981 [1,1,0,0,0,0|2,0,0]=4 41 B12R2.606 CC1=CC2=C(C=N1)CC(=O)N2 D72985 [1,1,0,0,0,0|2,0,0]=4 42 B12R2.606 NC1=CC2=C(C=N1)NC(=O)C2 D72978 [1,1,0,0,0,0|2,0,0]=4 43 B12R2.606 O=C1C=C2NC(=O)CC2=CN1 D72982 [1,1,0,0,0,0|2,0,0]=4 44 B12R2.606 O=C1NC2=C(C=C(O)C=C2)S1 AC8237 [1,1,0,0,0,0|1,0,0]=3 45 B12R2.138 O=C1C2=C(C=CC=C2)C1(F)F AT11817 [0,1,0,0,1,0|2,0,0]=4 46 B14R2.1128 N#CC1=NC2=C(C=CC=C2)NC1=O E70195 [0,1,0,0,0,1|2,0,0]=4 47 B14R2.28472 CC1=CC2=CC=CC(Br)=C2NC1=O D73563 [0,1,0,0,0,1|2,0,0]=4 48 B14R2.28472 CC1=CC=CC2=C1NC(=O)C(=O)N2 F31282 [0,1,0,0,0,1|1,0,1]=4 49 B14R2.28472 CN1CC2=CC=CC(Br)=C2CC1=O AT25839 [0,1,0,0,0,1|2,0,0]=4 50 B14R2.28472 C[C@@H]1OC2=C(F)C=CC=C2NC1=O 70982 [0,1,0,0,0,1|2,0,0]=4 51 B14R2.450 CN1C(C(=O)Cl)=CC2=C1C=CC=C2 24453 [0,2,0,0,0,0|2,0,0]=4 52 B14R2.517 C#CCN1C(=O)CC2=C1C=CC=C2 D75632 [0,2,0,0,0,0|2,0,0]=4 53 B14R2.8716 CN1C(=O)N(C)C2=C1C=CC(Br)=C2 AT10332 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.107 C[C@H](NC(N)=O)C1=CC=CC=C1 C11623 [0,0,1,0,0,1|2,0,0]=4 55 B14R2.741 N[C@H]1CC2=C(C=CC=C2)CNC1=O AT22337 [0,0,0,0,0,2|2,0,0]=4 56 B14R2.741 N[C@H]1CC2=C(C=CC=C2)CNC1=O AT22338 [0,0,0,0,0,2|2,0,0]=4