0 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.2 CC1=NC=CC(CN)=N1 B059729 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.2 NC1=NC=CC(CO)=C1 B039501 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.8 BrCCC1=NC=CC=C1 B050856 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 CNCC1=CC=CC=N1 B059678 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.8 ClCCC1=NC=CC=C1 B050813 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 NOCC1=CC=CC=C1 B022277 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.24 CC1=CC=CC(OCCN)=C1 B050095 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.157 C(F)(F)OC1=CC=CC(N)=C1 B046376 [0,1,0,0,0,0|3,0,0]=4 9 B11R2.106 NC1=C2NN=CC2=CC=C1 B049588 [0,0,0,1,0,0|2,0,1]=4 10 B11R2.106 OC1=CC=CC2=NSN=C12 B050223 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.7 CC1=CN(CCN)N=C1 B016664 [0,0,0,0,1,0|3,0,0]=4 12 B9R1.7 CC1=CN(CCN)N=C1 B038611 [0,0,0,0,1,0|3,0,0]=4 13 B9R1.7 CC1=NN(CCN)C=C1 B023878 [0,0,0,0,1,0|3,0,0]=4 14 B9R1.7 CN1C=C(CCN)C=N1 B047486 [0,0,0,0,1,0|3,0,0]=4 15 B9R1.7 CN1C=C(CCN)C=N1 B047580 [0,0,0,0,1,0|3,0,0]=4 16 B9R1.7 CN1C=CC(CCN)=N1 B047652 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.7 NCCN1C=C(Br)C=N1 B016101 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.7 NCCN1C=C(Cl)C=N1 B014438 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.7 NCCN1C=C(Cl)C=N1 B020482 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.7 NCCN1C=CC(Br)=N1 B050955 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.33 CC1=CC=NN1CCN B023879 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.33 CN1C=CN=C1CCN B059762 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.33 CN1N=CC=C1CCN B047655 [0,0,0,0,1,0|3,0,0]=4 24 B8R1.2 NCC1=NC=CN=C1 B050555 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.176 CCC1=CC=C(O)C(N)=C1 B037973 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [1,1,0,0,0,0|2,0,0]=4 30 B10R1.17 NCCCC1=CC=CC=N1 B048973 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [1,1,0,0,0,0|0,0,1]=3 33 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 B029995 [0,2,0,0,0,0|2,0,0]=4 34 B12R1.50 CNC(C)CC1=CC(C)=CC=N1 B037033 [0,2,0,0,0,0|2,0,0]=4 35 B12R1.50 N\C(CC1=CC(Cl)=CC=C1)=N/O B034862 [0,2,0,0,0,0|1,0,1]=4 36 B12R1.226 CC(C)NCC1=CC(F)=CC=C1 B059714 [0,2,0,0,0,0|2,0,0]=4 37 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 B059711 [0,2,0,0,0,0|2,0,0]=4 38 B12R1.226 NC1=CC=CC(OCC(F)F)=C1 B030863 [0,2,0,0,0,0|2,0,0]=4 39 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 B049111 [0,2,0,0,0,0|2,0,0]=4 40 B12R1.382 CCCOC1=CC=CC(C=O)=C1 B000272 [0,2,0,0,0,0|1,0,1]=4 41 B12R1.382 COC1=CC(CCCN)=CC=C1 B049845 [0,2,0,0,0,0|0,0,0]=2 42 B12R1.382 FCCOC1=CC=CC(CBr)=C1 B059300 [0,2,0,0,0,0|2,0,0]=4 43 B12R1.382 FCCOC1=CC=CC(CCl)=C1 B059299 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.382 NCC1=CC(OCCF)=CC=C1 B059301 [0,2,0,0,0,0|2,0,0]=4 45 B12R1.382 O=CC1=CC(OCCF)=CC=C1 B059296 [0,2,0,0,0,0|1,0,1]=4 46 B12R1.382 OCC1=CC(OCCF)=CC=C1 B059298 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.385 CC1=C(Cl)C=CC(OCCN)=C1 B050021 [0,2,0,0,0,0|1,0,0]=3 48 B12R2.1081 CC1=CC=CC2=C1NCCC2 B016010 [0,1,0,1,0,0|1,0,0]=3 49 B12R2.1081 NC1=CC=CC2=C1CCCC2 B049826 [0,1,0,1,0,0|2,0,0]=4 50 B12R2.1081 OC1=CC=CC2=C1NCCC2 B050304 [0,1,0,1,0,0|0,0,0]=2 51 B12R2.24 CC1=CC2=C(C=C1)NCCC2 B039264 [0,1,0,1,0,0|1,0,0]=3 52 B12R2.24 NC1=CC2=C(C=C1)CCCC2 B049556 [0,1,0,1,0,0|2,0,0]=4 53 B12R2.44 COC1=CC2=C(C=C1)NC=C2 B038514 [0,1,0,1,0,0|0,0,2]=4 54 B8R1.1 CC1=CC=C(CN)S1 B030516 [1,0,0,0,1,0|2,0,0]=4 55 B8R1.1 CCC1=CC(Br)=CS1 B046186 [1,0,0,0,1,0|2,0,0]=4 56 B8R1.1 NCC1=CC=C(F)S1 B052432 [1,0,0,0,1,0|2,0,0]=4 57 B8R1.8 CCCC1=CC=CS1 B046363 [1,0,0,0,1,0|2,0,0]=4 58 B8R1.8 NCCC1=CC=CO1 B029933 [1,0,0,0,1,0|1,0,0]=3 59 B8R1.8 NCCC1=CC=CO1 B049455 [1,0,0,0,1,0|1,0,0]=3 60 B8R1.8 NCCC1=CNC=N1 B048931 [1,0,0,0,1,0|2,0,0]=4 61 B8R1.8 NCCC1=CNN=C1 B037041 [1,0,0,0,1,0|2,0,0]=4 62 B8R1.8 NCCC1=CNN=C1 B046264 [1,0,0,0,1,0|2,0,0]=4 63 B8R1.8 NCCC1=NC=CS1 B059753 [1,0,0,0,1,0|2,0,0]=4 64 B8R1.8 NCCN1C=CC=N1 B016657 [1,0,0,0,1,0|2,0,0]=4 65 B8R1.8 NCCN1C=CN=C1 B037992 [1,0,0,0,1,0|2,0,0]=4 66 B8R1.8 NCCN1C=CN=C1 B046367 [1,0,0,0,1,0|2,0,0]=4