0 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 NCCCC1=CC=CC=N1 B048973 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 BrCCC1=NC=CC=C1 B050856 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.8 CNCC1=CC=CC=N1 B059678 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.8 ClCCC1=NC=CC=C1 B050813 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.8 NOCC1=CC=CC=C1 B022277 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.1 NC1=CC=C(OCCO)C=C1 B030702 [0,1,0,0,0,0|0,0,0]=1 7 B11R1.1 NC1=CC=C(OCCO)C=C1 B038630 [0,1,0,0,0,0|0,0,0]=1 8 B11R1.1 NCCCC1=CC=C(Cl)C=C1 B049887 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.17 CC1=C(OCCN)C=CC=C1 B050096 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.17 NC1=CC=CC=C1OCCO B030703 [0,1,0,0,0,0|0,0,0]=1 11 B11R1.17 NCCCC1=CC=CC=C1Cl B049213 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.24 CC1=CC=CC(OCCN)=C1 B050095 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.24 CCCOC1=CC=NC(S)=N1 B020468 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.91 O=C(O)CCC1=NC=CC=C1 B039507 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.91 O=C(O)CNC1=CC=CC=C1 B003332 [0,1,0,0,0,0|1,0,1]=3 16 B11R1.91 O=C(O)CSC1=NC=CC=C1 B003349 [0,1,0,0,0,0|1,1,1]=4 17 B9R1.12 OCCCC1=CNN=C1 B047225 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.12 OCCCN1C=CC=N1 B023925 [0,0,0,0,1,0|3,0,0]=4 19 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.4 CCOC1=C(N)N=CC=C1 B050894 [1,1,0,0,0,0|1,0,0]=3 22 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.15 N\C(=N/O)C1=CC=CC=C1 B020566 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [1,1,0,0,0,0|0,1,1]=4 27 B10R1.21 OCCNCC1=CC=CS1 B059672 [0,1,0,0,1,0|2,0,0]=4 28 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 B048536 [0,2,0,0,0,0|2,0,0]=4 29 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 B003322 [0,2,0,0,0,0|1,0,1]=4 30 B12R1.21 CC1=CC=C(NCC(F)F)C=C1 B039764 [0,2,0,0,0,0|2,0,0]=4 31 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 B039360 [0,2,0,0,0,0|1,0,1]=4 32 B12R1.21 NC1=CC=C(OCC(F)F)C=C1 B034851 [0,2,0,0,0,0|1,0,0]=3 33 B12R1.21 NC1=CC=C(OCC(F)F)C=C1 B037063 [0,2,0,0,0,0|1,0,0]=3 34 B12R1.21 NC1=CN=C(OCC(F)F)C=C1 B038080 [0,2,0,0,0,0|2,0,0]=4 35 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 B029582 [0,2,0,0,0,0|1,0,1]=4 36 B12R1.71 COC1=CC=C(CCCN)C=C1 B049843 [0,2,0,0,0,0|2,0,0]=4 37 B12R1.71 FCCOC1=CC=C(CBr)C=C1 B059306 [0,2,0,0,0,0|1,0,0]=3 38 B12R1.71 FCCOC1=CC=C(CCl)C=C1 B059305 [0,2,0,0,0,0|1,0,0]=3 39 B12R1.71 NCC1=CC=C(OCCF)C=C1 B059307 [0,2,0,0,0,0|1,0,0]=3 40 B12R1.71 O=CC1=CC=C(OCCF)C=C1 B059302 [0,2,0,0,0,0|1,0,0]=3 41 B12R1.71 OCC1=CC=C(OCCF)C=C1 B059304 [0,2,0,0,0,0|1,0,0]=3 42 B12R1.385 CC1=C(Cl)C=CC(OCCN)=C1 B050021 [0,2,0,0,0,0|1,0,0]=3 43 B12R1.121 COC1=CC=CC=C1OCCN B030091 [0,2,0,0,0,0|1,0,0]=3 44 B12R1.121 FCCOC1=C(CBr)C=CC=C1 B059294 [0,2,0,0,0,0|1,0,0]=3 45 B12R1.121 FCCOC1=C(CCl)C=CC=C1 B059293 [0,2,0,0,0,0|1,0,0]=3 46 B12R1.121 N#CCOC1=CC=CC=C1C=O B006029 [0,2,0,0,0,0|1,0,1]=4 47 B12R1.121 NCC1=C(OCCF)C=CC=C1 B059295 [0,2,0,0,0,0|1,0,0]=3 48 B12R1.121 O=CC1=C(OCCF)C=CC=C1 B059290 [0,2,0,0,0,0|1,0,0]=3 49 B12R1.121 OCC1=C(OCCF)C=CC=C1 B059292 [0,2,0,0,0,0|1,0,0]=3 50 B12R1.125 CC1=CC=CC=C1NCC(=O)O B003329 [0,2,0,0,0,0|1,0,1]=4 51 B12R1.125 NC1=C(OCC(F)F)C=CC=C1 B034854 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.125 NC1=CC=CC=C1SCC(F)F B036156 [0,2,0,0,0,0|1,1,0]=4 53 B12R1.267 CCCCOC1=C(N)C=CC=C1 B048532 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 B003340 [0,2,0,0,0,0|1,0,1]=4 55 B12R1.226 NC1=CC=CC(OCC(F)F)=C1 B030863 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 B049111 [0,2,0,0,0,0|1,0,1]=4 57 B12R1.382 CCCOC1=CC=CC(C=O)=C1 B000272 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.382 COC1=CC(CCCN)=CC=C1 B049845 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.382 FCCOC1=CC=CC(CBr)=C1 B059300 [0,2,0,0,0,0|1,0,0]=3 60 B12R1.382 FCCOC1=CC=CC(CCl)=C1 B059299 [0,2,0,0,0,0|1,0,0]=3 61 B12R1.382 NCC1=CC(OCCF)=CC=C1 B059301 [0,2,0,0,0,0|1,0,0]=3 62 B12R1.382 O=CC1=CC(OCCF)=CC=C1 B059296 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.382 OCC1=CC(OCCF)=CC=C1 B059298 [0,2,0,0,0,0|1,0,0]=3 64 B12R1.8 NCCCNCC1=CC=CC=C1 B035593 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.252 FC(F)CNCC1=CC=CC=C1 B039737 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.252 O=C(O)CCCC1=CC=CC=N1 B050627 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.252 O=C(O)CCCC1=CC=NC=C1 B050634 [0,2,0,0,0,0|2,0,0]=4 68 B12R2.24 CC1=CC2=C(C=C1)NCCC2 B039264 [0,1,0,1,0,0|2,0,0]=4 69 B12R2.24 NC1=CC2=C(C=C1)CCCC2 B049556 [0,1,0,1,0,0|2,0,0]=4 70 B12R2.1081 CC1=CC=CC2=C1NCCC2 B016010 [0,1,0,1,0,0|2,0,0]=4 71 B12R2.1081 NC1=CC=CC2=C1CCCC2 B049826 [0,1,0,1,0,0|2,0,0]=4 72 B12R2.1081 OC1=CC=CC2=C1NCCC2 B050304 [0,1,0,1,0,0|2,0,0]=4 73 B12R2.32 NCC1=NC2=CC=CC=C2O1 B039653 [0,1,0,1,0,0|1,0,1]=4 74 B12R2.32 NCC1CC2=CC=CC=C2O1 B049791 [0,1,0,1,0,0|1,0,0]=3 75 B12R2.32 OCC1=NC2=CC=CC=C2N1 B036344 [0,1,0,1,0,0|1,0,1]=4 76 B8R1.8 CCCC1=CC=CS1 B046363 [1,0,0,0,1,0|2,0,0]=4 77 B8R1.8 NCCC1=CC=CO1 B029933 [1,0,0,0,1,0|2,0,0]=4 78 B8R1.8 NCCC1=CC=CO1 B049455 [1,0,0,0,1,0|2,0,0]=4 79 B8R1.8 OCCC1=CNN=C1 B006537 [1,0,0,0,1,0|2,0,0]=4 80 B8R1.8 OCCC1=CNN=C1 B018513 [1,0,0,0,1,0|2,0,0]=4 81 B8R1.8 OCCN1C=CC=N1 B021981 [1,0,0,0,1,0|2,0,0]=4