0 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br SPC-h778 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.369 CC1=NC2=CC=CC=C2C=C1Br SPC-t599 [0,0,0,0,0,0|2,0,1]=3 2 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O SPC-k116 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br SPC-g918 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.369 NC1=NC2=CC=CC=C2N=C1Cl SPC-k921 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl SPC-p357 [0,0,0,0,0,0|2,0,0]=2 6 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl SPC-u463 [0,0,0,0,0,0|1,0,1]=2 7 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 SPC-j292 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.24 BrC1=CC2=CC=NC=C2C=C1 SPC-k785 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.24 BrC1=CC2=CN=CC=C2C=C1 SPC-t090 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 SPC-t758 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 CC1=NC2=CC=CN=C2C=C1 SPC-j552 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 SPC-t885 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.24 ClC1=NC2=CN=CC=C2C=C1 SPC-k698 [1,0,0,0,0,0|2,0,1]=4 14 B12R2.24 NC1=CC=C2C=NC=CC2=C1 SPC-k323 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.24 O=C1C=C2C=CC=CC2=CN1 SPC-m478 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.24 O=C1C=CC2=CC=CN=C2N1 SPC-u549 [1,0,0,0,0,0|1,0,0]=2 17 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 SPC-n926 [1,0,0,0,0,0|1,0,2]=4 18 B12R2.24 O=C1CCC2=CC=CN=C2N1 SPC-m477 [1,0,0,0,0,0|1,0,2]=4 19 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 SPC-s066 [1,0,0,0,0,0|0,0,3]=4 20 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 SPC-s103 [1,0,0,0,0,0|0,0,3]=4 21 B12R2.24 O[C@H]1CNC2=C(C=CC=C2)C1 SPC-s053 [1,0,0,0,0,0|0,0,3]=4 22 B12R1.43 O=[N+]([O-])\C(F)=C\C1=CC=CC=C1 SPC-d107 [0,0,1,0,0,0|3,0,0]=4 23 B12R2.18 CC1=C(Br)C2=C(C=NC=C2)N1 SPC-s286 [0,0,0,0,1,0|3,0,0]=4 24 B12R2.18 CC1=C(Br)C2=C(N=CC=C2)N1 SPC-j773 [0,0,0,0,1,0|3,0,0]=4 25 B12R2.18 CC1=C(I)C2=C(N=CC=C2)N1 SPC-k472 [0,0,0,0,1,0|3,0,0]=4 26 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 SPC-h517 [0,0,0,0,1,0|2,0,1]=4 27 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O SPC-s172 [0,0,0,0,1,0|1,0,1]=3 28 B11R2.20 C1=CC=C2N=CN=CC2=C1 SPC-k265 [2,0,0,0,0,0|1,0,1]=4 29 B13R1.133 O=C(O)C(=O)NC1=NC=C(Cl)C=C1 SPC-g335 [0,1,1,0,0,0|2,0,0]=4 30 B13R2.32 OC1=C(Br)C=NC2=CC=CC=C21 SPC-s925 [1,1,0,0,0,0|1,0,1]=4 31 B13R2.32 OC1=C(I)C=NC2=CC=CC=C21 SPC-p396 [1,1,0,0,0,0|1,0,1]=4 32 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 SPC-t192 [1,1,0,0,0,0|2,0,0]=4 33 B13R2.155 ClC1=CC=C2C=CC(Br)=CC2=N1 SPC-p842 [1,1,0,0,0,0|1,0,1]=4 34 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)N1 SPC-p854 [1,1,0,0,0,0|0,0,0]=2 35 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)N1 SPC-g452 [1,1,0,0,0,0|0,0,0]=2 36 B13R2.162 OC1=NC2=C(O)C=CC=C2C=C1 SPC-s530 [1,1,0,0,0,0|0,0,2]=4 37 B13R2.3683 ClC1=CC=C2C=C(Br)C=NC2=C1 SPC-p352 [1,1,0,0,0,0|1,0,1]=4 38 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=C2 SPC-s383 [1,1,0,0,0,0|0,0,0]=2 39 B13R2.3683 O=C1C=NC2=C(C=CC(Cl)=N2)N1 SPC-v189 [1,1,0,0,0,0|2,0,0]=4 40 B13R2.3683 O=C1N=CC2=C(C=CC(Br)=C2)N1 SPC-h322 [1,1,0,0,0,0|1,0,0]=3 41 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CO1 SPC-j975 [1,1,0,0,0,0|1,0,1]=4 42 B13R2.5179 CC1=C2N=CC(Br)=CC2=CC=C1 SPC-v435 [1,1,0,0,0,0|1,0,1]=4 43 B13R2.5179 ClC1=NC2=CC=CC(Cl)=C2C=C1 SPC-m425 [1,1,0,0,0,0|1,0,1]=4 44 B13R2.5179 O=C1C=COC2=C1C=CC(O)=C2 SPC-t638 [1,1,0,0,0,0|2,0,0]=4 45 B13R2.3028 O=C1NC2=C(C=C(I)C=C2)C1=O SPC-p708 [0,1,0,0,1,0|0,0,1]=3 46 B13R2.4825 C[C@@H]1C(=O)NC2=C(F)C=CC=C21 SPC-q924 [0,1,0,0,1,0|1,0,1]=4 47 B13R2.5190 O=C1NC2=C(C=CC(Br)=C2)C1=O SPC-s387 [0,1,0,0,1,0|0,0,1]=3 48 B15R2.984 OB(O)C1=CC2=CC=CC=C2N=C1Cl SPC-u324 [0,2,0,0,0,0|1,0,1]=4 49 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 SPC-n996 [0,0,1,1,0,0|2,0,0]=4 50 B11R2.1 BrC1=CNC2=C1C=CC=N2 SPC-g361 [1,0,0,0,1,0|2,0,0]=4 51 B11R2.1 BrC1=NNC2=C1C=CC=C2 SPC-g767 [1,0,0,0,1,0|2,0,0]=4 52 B11R2.1 CC1=CNC2=C1C=CC=C2 SPC-g422 [1,0,0,0,1,0|1,0,0]=3 53 B11R2.1 CC1=CNC2=C1C=NC=C2 SPC-q661 [1,0,0,0,1,0|2,0,0]=4 54 B11R2.1 CC1=CNC2=NC=CC=C12 SPC-h202 [1,0,0,0,1,0|2,0,0]=4 55 B11R2.1 CC1=NNC2=C1C=CC=C2 SPC-m579 [1,0,0,0,1,0|2,0,0]=4 56 B11R2.1 ClC1=CNC2=C1C=CC=C2 SPC-n094 [1,0,0,0,1,0|1,0,0]=3 57 B11R2.1 ClC1=CNC2=C1C=CC=N2 SPC-j246 [1,0,0,0,1,0|2,0,0]=4 58 B11R2.1 IC1=CNC2=C1C=CN=C2 SPC-k366 [1,0,0,0,1,0|2,0,0]=4 59 B11R2.1 IC1=CNC2=C1C=NC=C2 SPC-q666 [1,0,0,0,1,0|2,0,0]=4 60 B11R2.1 IC1=NNC2=C1C=CC=C2 SPC-g726 [1,0,0,0,1,0|2,0,0]=4 61 B11R2.1 O=C1NCC2=C1C=CC=C2 SPC-m482 [1,0,0,0,1,0|1,0,1]=4 62 B11R2.10 CC1=CC2=C(C=CN=C2)N1 SPC-q573 [1,0,0,0,1,0|2,0,0]=4 63 B11R2.10 CC1=CC2=C(C=NC=C2)N1 SPC-s244 [1,0,0,0,1,0|2,0,0]=4 64 B11R2.10 CC1=CC2=CC=CN=C2N1 SPC-g795 [1,0,0,0,1,0|2,0,0]=4 65 B11R2.10 IC1=CC2=C(N=CC=C2)N1 SPC-m127 [1,0,0,0,1,0|2,0,0]=4 66 B11R2.10 O=C1CC2=C(C=CN=C2)N1 SPC-j040 [1,0,0,0,1,0|1,0,1]=4 67 B11R2.10 O=C1CC2=C(C=NC=C2)N1 SPC-j324 [1,0,0,0,1,0|1,0,1]=4 68 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-g779 [1,0,0,0,1,0|1,0,1]=4 69 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-j021 [1,0,0,0,1,0|1,0,1]=4 70 B11R2.36 OC1=CN=C2NC=CC2=C1 SPC-m924 [1,0,0,0,1,0|1,0,1]=4