0 B11R1.41 COC1=CC=CC=C1CCN CS-M2046 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.4 CC1=CC=CC=C1CON CS-B1209 [1,0,0,0,0,0|1,0,0]=2 2 B10R1.4 N#CCC1=CC=CC=C1I CS-0041514 [1,0,0,0,0,0|1,0,2]=4 3 B10R1.20 C#CC1=CC=CC=C1OC CS-W005515 [1,0,0,0,0,0|0,0,2]=3 4 B10R1.20 CCC1=CC=CC=C1C=O CS-W007787 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.20 CNC1=CC=CC=C1NC CS-W000645 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.20 COC1=C(C#N)C=CN=C1 CS-0063326 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.20 N#CC1=CC=CC=C1CO CS-W005877 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.20 NCC1=CC=CC=C1CO CS-W003577 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.75 COC1=CC=CC=C1CC(N)=O CS-M2045 [0,1,0,0,0,0|0,0,1]=2 10 B12R1.112 COC1=CC(Br)=CC=C1CC#N CS-0097933 [0,1,0,0,0,0|0,0,2]=3 11 B12R1.112 COC1=CC(F)=CC=C1CC#N CS-B1268 [0,1,0,0,0,0|0,0,2]=3 12 B12R1.121 C#CCOC1=C(OC)C=CC=C1 CS-0047027 [0,1,0,0,0,0|1,0,1]=3 13 B12R1.121 CCCOC1=CC=CC=C1C=O CS-0084129 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.268 COC1=CC=C(Br)C=C1CC#N CS-0097806 [0,1,0,0,0,0|0,0,2]=3 15 B12R1.268 COC1=CC=C(Cl)C=C1CC#N CS-B1013 [0,1,0,0,0,0|0,0,2]=3 16 B12R1.283 O=[N+]([O-])C1=CC=CC=C1CCO CS-W008358 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.1 C#CC1CCC2=CC=CC=C21 CS-B0617 [0,0,0,1,0,0|2,0,1]=4 18 B12R2.24 OC1CNC2=C(C=CC=C2)C1 CS-B0459 [0,0,0,1,0,0|2,0,0]=3 19 B12R2.41 C1=CC=C2CNCCCC2=C1 CS-W018800 [0,0,0,1,0,0|3,0,0]=4 20 B12R2.315 C#CC1=C2CCCC2=CC=C1 CS-B0614 [0,0,0,1,0,0|2,0,1]=4 21 B12R2.315 COC1=CC=CC2=C1C=CS2 CS-0099933 [0,0,0,1,0,0|1,0,2]=4 22 B12R2.315 COC1=CC=CC2=C1NC=N2 CS-0043995 [0,0,0,1,0,0|1,0,2]=4 23 B12R2.315 COC1=CC=CC2=CNN=C21 CS-0043993 [0,0,0,1,0,0|3,0,0]=4 24 B12R2.1081 C[C@@H]1CNCC2=C1C=CC=C2 CS-0047287 [0,0,0,1,0,0|3,0,0]=4 25 B12R2.1081 O=C1NCCC2=C1C=CC=C2 CS-W008863 [0,0,0,1,0,0|2,0,0]=3 26 B12R2.1081 O[C@@H]1CCCC2=C1C=CC=C2 CS-0079970 [0,0,0,1,0,0|3,0,0]=4 27 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 CS-0079961 [0,0,0,1,0,0|3,0,0]=4 28 B12R2.2048 COC1=CC=CC=C1C2CO2 CS-0047012 [0,0,0,1,0,0|1,0,0]=2 29 B9R1.8 CCCC1=CC=CC=C1 CS-0035165 [2,0,0,0,0,0|1,0,0]=3 30 B9R1.8 NNCC1=CC=CN=C1 CS-W021776 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.15 C#CC1=CC=CC=C1N CS-W004892 [2,0,0,0,0,0|1,0,1]=4 32 B9R1.15 CC1=C(CO)C=NC=C1 CS-0053194 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.15 CC1=CC=CC=C1CN CS-M1443 [2,0,0,0,0,0|0,0,0]=2 34 B9R1.15 CC1=NC=CC=C1CN CS-0047048 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.15 CC[N+]1=CC=CC=C1Br CS-W012340 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.15 CNC1=C(N)C=CN=C1 CS-0090255 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.15 CNC1=CC=CC=C1O CS-B1556 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.15 CNC1=CC=CN=C1N CS-0090257 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.15 COC1=C(F)C=CC=N1 CS-W005457 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.15 NC1=CC=CC=C1C=O CS-W007486 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.15 NCC1=C(Br)C=CN=C1 CS-0102145 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.15 NCC1=C(Cl)C=CN=C1 CS-0038079 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.15 NCC1=NC=CC=C1F CS-0047058 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.15 NCC1=NC=CC=C1F CS-0053366 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.15 OCC1=NC=CC=C1O CS-0020046 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.17 NCCOC1=CC=CC=C1F CS-0090999 [1,1,0,0,0,0|1,0,0]=3 47 B11R1.222 CC1=CC=CC=C1C(=O)CBr CS-0029521 [1,1,0,0,0,0|1,0,1]=4 48 B11R1.222 NCC(=O)C1=CC=CC=C1F CS-W021538 [1,1,0,0,0,0|1,0,1]=4 49 B11R1.37 COC1=C(C=O)C=CC(Cl)=C1 CS-W019440 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.37 COC1=C(CO)C=C(Br)C=C1 CS-M0571 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.37 COC1=CC=C(Br)C=C1C#N CS-0042159 [1,1,0,0,0,0|0,0,2]=4 52 B11R1.37 COC1=CC=C(Br)C=C1CN CS-W021112 [1,1,0,0,0,0|0,0,0]=2 53 B11R1.37 COC1=CC=C(Br)C=C1OC CS-W007396 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.37 COC1=CC=C(F)C=C1C=O CS-W005085 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.37 COC1=CC=C(N)C=C1C#N CS-W006487 [1,1,0,0,0,0|0,0,2]=4 56 B11R1.53 COC1=CC=CC=C1[C@H](C)N CS-0000284 [1,1,0,0,0,0|0,0,0]=2 57 B11R1.53 NCC1=CC=CC=C1B(O)O CS-W019371 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.53 NCC1=CC=CC=C1C(F)F CS-0039835 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.265 COC1=C(C=O)C=CC=C1Br CS-W021855 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.265 COC1=CC=CC(Br)=C1OC CS-W014821 [1,1,0,0,0,0|1,0,0]=3 61 B13R1.51 COC1=C(CC(=O)O)C=CC(Br)=C1 CS-W005525 [0,2,0,0,0,0|1,0,1]=4 62 B13R1.382 COC(=O)C1=CC=CC=C1CCBr CS-W022777 [0,2,0,0,0,0|1,0,0]=3 63 B13R1.90 COC1=C(OCC(C)=O)C=CC=C1 CS-0047078 [0,2,0,0,0,0|1,0,1]=4 64 B11R2.10 BrC1CC2=C(C=CC=C2)C1 CS-0042740 [1,0,0,1,0,0|1,0,0]=3 65 B11R2.20 C1=CC=C2OCCCC2=C1 CS-M3130 [1,0,0,1,0,0|1,0,0]=3 66 B11R2.20 C1=NC=C2CCNCC2=C1 CS-WAA0313 [1,0,0,1,0,0|1,0,0]=3 67 B11R2.20 C1=NC=C2CNCCC2=C1 CS-D0201 [1,0,0,1,0,0|1,0,0]=3 68 B11R2.55 NC1=CC=CC=C1C2CC2 CS-0042319 [1,0,0,1,0,0|2,0,0]=4 69 B11R2.106 BrC1=CC=CC2=C1CCC2 CS-0028240 [1,0,0,1,0,0|2,0,0]=4 70 B11R2.106 OC1=C2N=CNC2=CC=C1 CS-0035564 [1,0,0,1,0,0|1,0,1]=4 71 B11R2.106 OC1=C2OCOC2=CC=C1 CS-0086795 [1,0,0,1,0,0|2,0,0]=4 72 B11R2.106 OC1=CC=CC2=C1C=NN2 CS-W003364 [1,0,0,1,0,0|1,0,1]=4 73 B11R2.1 CC1=NOC2=CC=CC=C21 CS-W008538 [1,0,0,1,0,0|1,0,1]=4 74 B11R2.1 NC1=NOC2=C1C=CC=C2 CS-W009278 [1,0,0,1,0,0|1,0,1]=4 75 B11R2.1 NC1COC2=CC=CC=C21 CS-0070832 [1,0,0,1,0,0|0,0,0]=2 76 B11R2.1 NC1COC2=NC=CC=C21 CS-B1356 [1,0,0,1,0,0|1,0,0]=3 77 B13R2.581 COC1=CC=CC2=C1N=C(N)S2 CS-0054537 [0,1,0,1,0,0|1,0,1]=4 78 B13R2.582 COC1=CC=CC2=C1C(=O)CC2 CS-W013258 [0,1,0,1,0,0|1,0,1]=4 79 B13R2.1613 COC1=C2CCCCC2=CC=C1 CS-0037094 [0,1,0,1,0,0|1,0,0]=3 80 B13R2.1613 COC1=C2CNCCC2=CC=C1 CS-0036106 [0,1,0,1,0,0|1,0,0]=3 81 B13R2.5252 O=C1NCCOC2=C1C=CC=C2 CS-0038100 [0,1,0,1,0,0|2,0,0]=4 82 B13R2.162 NC1=CC=CC2=C1CC(O)CC2 CS-B0024 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.162 O=C1NCCC2=C1C=C(Br)C=C2 CS-D0454 [0,1,0,1,0,0|2,0,0]=4 84 B13R2.33 O=C1CCC2=CC=CC=C2CC1 CS-W020691 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.57 CN[C@H]1CNC2=CC=CC=C2C1 CS-M0364 [0,1,0,1,0,0|1,0,0]=3 86 B13R2.57 CN[C@H]1CNC2=CC=CC=C2C1 CS-M3644 [0,1,0,1,0,0|1,0,0]=3 87 B13R2.573 COC1=CC=CC2=C1CCC2=O CS-D1014 [0,1,0,1,0,0|1,0,0]=3 88 B13R2.5179 O=C1NCCC2=C1C=CC(Br)=C2 CS-D0456 [0,1,0,1,0,0|2,0,0]=4 89 B13R2.5569 CC(=O)C1=CC=CC2=C1CCC2 CS-0046205 [0,1,0,1,0,0|2,0,0]=4 90 B13R2.121 COC1=C(Br)C=CC2=C1C=NN2 CS-0103493 [0,1,0,1,0,0|1,0,1]=4