0 B13R2.369 BrC1=CC2=CC=CC=C2C=C1Br SPC-h778 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.369 CC1=NC2=CC=CC=C2C=C1Br SPC-t599 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O SPC-k116 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.369 ClC1=NC2=CC=CC=C2C=C1Br SPC-g918 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl SPC-p357 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.369 OC1=CC2=CC=CC=C2N=C1Cl SPC-u463 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.24 BrC1=CC2=CN=CN=C2C=C1 SPC-j022 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 BrC1=CC2=NC=CC=C2C=C1 SPC-t758 [1,0,0,0,0,0|2,0,0]=3 8 B12R2.24 BrC1=CC2=NC=NC=C2C=C1 SPC-j023 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.24 CC1=NC2=CC=CN=C2C=C1 SPC-j552 [1,0,0,0,0,0|1,0,1]=3 10 B12R2.24 O=C1C=C2C=CC=CC2=CN1 SPC-m478 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.24 O=C1C=CC2=CC=CN=C2N1 SPC-u549 [1,0,0,0,0,0|2,0,0]=3 12 B14R2.8188 FC1=CC2=NC=CC=C2C(F)=C1Br SPC-j146 [0,1,0,0,0,0|3,0,0]=4 13 B14R2.8239 CC1=CC=C2C=C(Cl)C(F)=CC2=N1 SPC-v420 [0,1,0,0,0,0|3,0,0]=4 14 B14R2.28472 OC1=C(O)C=C2C(=C1)N=CN=C2Cl SPC-p560 [0,1,0,0,0,0|2,0,1]=4 15 B12R2.18 CC1=C(Br)C2=C(N=CC=C2)N1 SPC-j773 [0,0,0,0,1,0|3,0,0]=4 16 B12R2.18 CC1=C(I)C2=C(N=CC=C2)N1 SPC-k472 [0,0,0,0,1,0|3,0,0]=4 17 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 SPC-k509 [0,0,0,0,1,0|3,0,0]=4 18 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O SPC-s172 [0,0,0,0,1,0|1,0,1]=3 19 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 SPC-u834 [1,0,1,0,0,0|2,0,0]=4 20 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 SPC-k819 [1,0,1,0,0,0|1,0,1]=4 21 B11R1.86 O=C(O)CC1=CC=CN=C1Cl SPC-h555 [1,0,1,0,0,0|2,0,0]=4 22 B11R1.86 O=C(O)CC1=NC=CC=C1O SPC-t979 [1,0,1,0,0,0|1,0,1]=4 23 B11R2.20 C1=CC=C2N=CN=CC2=C1 SPC-k265 [2,0,0,0,0,0|2,0,0]=4 24 B13R2.155 ClC1=CC=C2C=CC(Br)=CC2=N1 SPC-p842 [1,1,0,0,0,0|2,0,0]=4 25 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)N1 SPC-p854 [1,1,0,0,0,0|1,0,0]=3 26 B13R2.155 O=C1C=CC2=C(C=C(O)C=C2)N1 SPC-g452 [1,1,0,0,0,0|1,0,0]=3 27 B13R2.162 BrC1=NC2=C(Br)C=CN=C2C=C1 SPC-p129 [1,1,0,0,0,0|1,0,1]=4 28 B13R2.162 ClC1=NC2=C(Cl)C=CN=C2C=C1 SPC-m022 [1,1,0,0,0,0|1,0,1]=4 29 B13R2.3683 ClC1=CC=C2C=C(Br)C=NC2=C1 SPC-p352 [1,1,0,0,0,0|2,0,0]=4 30 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=C2 SPC-s383 [1,1,0,0,0,0|1,0,0]=3 31 B13R2.3683 O=C1C=NC2=C(C=CC(Cl)=N2)N1 SPC-v189 [1,1,0,0,0,0|1,0,0]=3 32 B13R2.3683 O=C1N=CC2=C(C=CC(Br)=C2)N1 SPC-h322 [1,1,0,0,0,0|2,0,0]=4 33 B13R2.5179 BrC1=CN=C2C(Br)=CC=NC2=C1 SPC-p311 [1,1,0,0,0,0|1,0,1]=4 34 B13R2.5179 ClC1=C2C=CC(Br)=CC2=NC=C1 SPC-t089 [1,1,0,0,0,0|2,0,0]=4 35 B13R2.5179 ClC1=C2N=CC(Br)=CC2=NC=C1 SPC-j581 [1,1,0,0,0,0|1,0,1]=4 36 B13R2.5179 ClC1=CN=C2C(Cl)=CC=NC2=C1 SPC-n092 [1,1,0,0,0,0|1,0,1]=4 37 B13R2.5179 O=C1C=COC2=C1C=CC(O)=C2 SPC-t638 [1,1,0,0,0,0|2,0,0]=4 38 B13R2.3028 O=C1NC2=C(C=C(I)C=C2)C1=O SPC-p708 [0,1,0,0,1,0|1,0,1]=4 39 B13R2.5190 O=C1NC2=C(C=CC(Br)=C2)C1=O SPC-s387 [0,1,0,0,1,0|1,0,1]=4 40 B15R2.117 COC1=CC2=CC=CN=C2C=C1OC SPC-s379 [0,2,0,0,0,0|1,0,1]=4 41 B15R2.2039 COC1=CC2=NC=CC(Cl)=C2C=C1Br SPC-p777 [0,2,0,0,0,0|2,0,0]=4 42 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 SPC-n996 [0,0,1,1,0,0|2,0,0]=4 43 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 SPC-s635 [0,0,1,1,0,0|1,1,0]=4 44 B11R2.1 BrC1=CNC2=C1C=CC=N2 SPC-g361 [1,0,0,0,1,0|2,0,0]=4 45 B11R2.1 BrC1=CNC2=NC=CN=C12 SPC-k193 [1,0,0,0,1,0|2,0,0]=4 46 B11R2.1 BrC1=CSC2=CC=CN=C12 SPC-s295 [1,0,0,0,1,0|2,0,0]=4 47 B11R2.1 CC1=CNC2=C1C=CC=C2 SPC-g422 [1,0,0,0,1,0|2,0,0]=4 48 B11R2.1 CC1=CNC2=NC=CC=C12 SPC-h202 [1,0,0,0,1,0|2,0,0]=4 49 B11R2.1 ClC1=CNC2=C1C=CC=C2 SPC-n094 [1,0,0,0,1,0|2,0,0]=4 50 B11R2.1 ClC1=CNC2=C1C=CC=N2 SPC-j246 [1,0,0,0,1,0|2,0,0]=4 51 B11R2.1 IC1=CNC2=NC=CN=C12 SPC-j160 [1,0,0,0,1,0|2,0,0]=4 52 B11R2.1 IC1=NNC2=CC=CN=C21 SPC-p389 [1,0,0,0,1,0|2,0,0]=4 53 B11R2.1 O=C1CCC2=C1C=CC=N2 SPC-n233 [1,0,0,0,1,0|0,0,2]=4 54 B11R2.10 CC1=CC2=CC=CN=C2N1 SPC-g795 [1,0,0,0,1,0|2,0,0]=4 55 B11R2.10 IC1=CC2=C(N=CC=C2)N1 SPC-m127 [1,0,0,0,1,0|2,0,0]=4 56 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-g779 [1,0,0,0,1,0|2,0,0]=4 57 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-j021 [1,0,0,0,1,0|2,0,0]=4 58 B11R2.36 OC1=CC2=NNC=C2C=C1 SPC-g583 [1,0,0,0,1,0|2,0,0]=4 59 B11R2.36 OC1=CN=C2NC=CC2=C1 SPC-m924 [1,0,0,0,1,0|1,0,1]=4