0 B10R1.4 NCCC1=C(Br)C=CC=N1 SPC-k820 [1,0,0,0,0,0|1,0,0]=2 1 B10R1.4 NNCC1=C(Br)C=CC=C1 SPC-i879 [1,0,0,0,0,0|1,0,0]=2 2 B10R1.4 NNCC1=C(Cl)C=CC=C1 SPC-j053 [1,0,0,0,0,0|1,1,0]=3 3 B10R1.4 NNCC1=C(F)C=CC=C1 SPC-j050 [1,0,0,0,0,0|1,1,0]=3 4 B10R1.4 NNCC1=C(F)C=CC=C1 SPC-t622 [1,0,0,0,0,0|1,1,0]=3 5 B10R1.4 OCCC1=C(F)C=CC=N1 SPC-p080 [1,0,0,0,0,0|2,1,0]=4 6 B10R1.17 OCCCC1=NC=CC=C1 SPC-g488 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.69 COCCN1C=CC(N)=CC1=O SPC-r206 [0,1,0,0,0,0|3,0,0]=4 8 B12R1.371 COC(=O)CC1=C(Br)C=CC=N1 SPC-q093 [0,1,0,0,0,0|2,0,1]=4 9 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 SPC-k614 [0,0,0,1,0,0|3,0,0]=4 10 B12R2.41 C1=CC2=C(C=C1)CCNCC2 SPC-p109 [0,0,0,1,0,0|1,0,0]=2 11 B12R2.41 C1=CN=C2CCNCCC2=C1 SPC-q858 [0,0,0,1,0,0|2,0,0]=3 12 B12R2.196 CN1C=CC2=C(Br)C=CN=C21 SPC-j468 [0,0,0,1,0,0|1,0,2]=4 13 B12R2.196 CN1N=CC2=C(Br)C=CC=C21 SPC-h207 [0,0,0,1,0,0|1,0,1]=3 14 B12R2.196 CN1N=CC2=C(I)C=CC=C21 SPC-t013 [0,0,0,1,0,0|1,1,1]=4 15 B12R2.196 N[C@H]1CCC2=C(Br)C=CC=C21 SPC-q591 [0,0,0,1,0,0|2,0,0]=3 16 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 SPC-g231 [0,0,0,1,0,0|2,0,0]=3 17 B12R2.196 O=C1CCC2=C(Cl)C=CC=C12 SPC-g553 [0,0,0,1,0,0|2,1,0]=4 18 B12R2.196 O=C1COC2=C(Br)C=CC=C12 SPC-s411 [0,0,0,1,0,0|3,0,0]=4 19 B12R2.517 OC1=C(C2COC2)C=CC=C1 SPC-a278 [0,0,0,1,0,0|2,0,0]=3 20 B12R2.1081 BrC1=C2CCCNC2=CC=C1 SPC-m131 [0,0,0,1,0,0|2,0,0]=3 21 B12R2.1081 BrC1=C2CCNCC2=CC=C1 SPC-g839 [0,0,0,1,0,0|0,0,0]=1 22 B12R2.1081 BrC1=C2CNCCC2=CN=C1 SPC-r214 [0,0,0,1,0,0|3,0,0]=4 23 B12R2.1081 BrC1=C2NCCCC2=CN=C1 SPC-t606 [0,0,0,1,0,0|3,0,0]=4 24 B12R2.1081 BrC1=NC=CC2=C1CCCC2 SPC-n982 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.8 CNCC1=CN=CN=C1 SPC-q180 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.8 CNCC1=NC=CC=N1 SPC-q184 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.8 NCCC1=NC=CC=N1 SPC-p100 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.8 NCCC1=NC=NC=C1 SPC-u400 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.8 NNCC1=CC=CN=C1 SPC-g976 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.8 NNCC1=CC=NC=C1 SPC-j054 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.8 NNCC1=CC=NC=C1 SPC-p443 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.8 NNCC1=NC=CC=C1 SPC-g975 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.15 CC1=C(CN)C=NC=C1 SPC-m008 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.15 CCC1=C(Br)C=CN=C1 SPC-i884 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.15 CCC1=C(Br)C=CN=C1 SPC-r184 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.15 CCC1=C(Br)C=NC=C1 SPC-p344 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.15 NCC1=C(Cl)C=CC=N1 SPC-u229 [2,0,0,0,0,0|1,1,0]=4 38 B9R1.15 NCC1=C(F)C=CC=N1 SPC-j562 [2,0,0,0,0,0|1,1,0]=4 39 B9R1.15 NCC1=C(F)C=CC=N1 SPC-t905 [2,0,0,0,0,0|1,1,0]=4 40 B11R1.81 CNCC1=C(Cl)C=C(Cl)C=C1 SPC-g221 [1,1,0,0,0,0|0,1,0]=3 41 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 SPC-h139 [1,1,0,0,0,0|1,1,0]=4 42 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 SPC-r008 [1,1,0,0,0,0|1,1,0]=4 43 B11R1.91 CC(=O)CCC1=CC=CC=C1 SPC-k266 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.230 CNCCC1=NN(C)C=C1Br SPC-t110 [0,1,0,0,1,0|2,0,0]=4 45 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 SPC-q921 [1,0,0,1,0,0|1,0,0]=3 46 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 SPC-s041 [1,0,0,1,0,0|1,0,0]=3 47 B11R2.20 C1=CC2=C(C=C1)CNCC2 SPC-t693 [1,0,0,1,0,0|1,0,0]=3 48 B11R2.20 C1=CC2=C(C=N1)CCCN2 SPC-u169 [1,0,0,1,0,0|2,0,0]=4 49 B11R2.20 C1=CN=C2CCNCC2=C1 SPC-u452 [1,0,0,1,0,0|2,0,0]=4 50 B11R2.20 C1=CN=C2CNCCC2=C1 SPC-p618 [1,0,0,1,0,0|2,0,0]=4 51 B11R2.106 BrC1=C2C=CNC2=CC=C1 SPC-g324 [1,0,0,1,0,0|0,0,2]=4 52 B11R2.106 BrC1=C2C=NNC2=CC=C1 SPC-g252 [1,0,0,1,0,0|1,0,1]=4 53 B11R2.106 BrC1=C2CCCC2=CC=C1 SPC-s323 [1,0,0,1,0,0|0,0,0]=2 54 B11R2.106 BrC1=C2CCNC2=CN=C1 SPC-v667 [1,0,0,1,0,0|1,0,0]=3 55 B11R2.106 BrC1=C2CCNC2=NC=C1 SPC-p496 [1,0,0,1,0,0|1,0,0]=3 56 B11R2.106 BrC1=C2CNCC2=CC=C1 SPC-p503 [1,0,0,1,0,0|0,0,0]=2 57 B11R2.106 BrC1=C2NCCC2=CN=C1 SPC-m078 [1,0,0,1,0,0|2,0,0]=4 58 B11R2.106 BrC1=CC=CC2=CNN=C12 SPC-g752 [1,0,0,1,0,0|1,0,1]=4 59 B11R2.106 ClC1=C2CCNC2=NC=C1 SPC-k567 [1,0,0,1,0,0|1,1,0]=4 60 B11R2.106 ClC1=NC=CC2=C1CCN2 SPC-q548 [1,0,0,1,0,0|1,1,0]=4 61 B11R2.4 NC1CC1C2=CC=CC=C2 SPC-q828 [1,0,0,1,0,0|2,0,0]=4 62 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-n633 [1,0,0,1,0,0|2,0,0]=4 63 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 SPC-p937 [1,0,0,1,0,0|2,0,0]=4 64 B11R2.239 C1=CC=C(C2COC2)C=C1 SPC-a273 [1,0,0,1,0,0|1,0,0]=3 65 B11R2.239 C1=CN=C(C2CNC2)C=C1 SPC-v060 [1,0,0,1,0,0|1,0,0]=3 66 B13R2.155 CN1CCC2=C(C=C(N)C=C2)C1 SPC-h707 [0,1,0,1,0,0|1,0,0]=3 67 B13R2.9 CCN1CCC2=C1C=CC=C2C SPC-n988 [0,1,0,1,0,0|1,0,0]=3 68 B13R2.3569 OC1(C2=C(Br)C=CC=C2)COC1 SPC-w022 [0,1,0,1,0,0|1,0,0]=3 69 B13R2.4857 CC1=NN(C)C2=CC=CC(Br)=C21 SPC-j526 [0,1,0,1,0,0|1,0,1]=4