0 B9R1.12 CCCCC1=CSC=C1 DY550173 [1,0,0,0,0,0|3,0,0]=4 1 B9R1.12 CCCCC1=NC=CN1 DY726205 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.12 CCCCC1=NN=CO1 DY788589 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.12 CCCCC1C=CC=C1 DY114482 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.12 CCOCC1=CC=CO1 NO17009 [1,0,0,0,0,0|0,1,0]=2 5 B9R1.12 CSSCC1=CC=CO1 DY759446 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.25 NCC(=O)NCC1=CC=CO1 DY509480 [0,1,0,0,0,0|2,0,1]=4 7 B11R1.510 CC(C)(C)NCC1=CC=CO1 DY609924 [0,1,0,0,0,0|1,0,0]=2 8 B9R1.13 CC(C)CC1=NC=CN1 DY606921 [0,0,0,0,1,0|2,0,0]=3 9 B9R1.13 CC(C)CC1=NC=CS1 NO10134 [0,0,0,0,1,0|1,1,0]=3 10 B9R1.13 C[C@@H](N)CC1=CNC=N1 DY570429 [0,0,0,0,1,0|3,0,0]=4 11 B9R1.13 OB(O)CC1=CC=CO1 DY706285 [0,0,0,0,1,0|3,0,0]=4 12 B11R1.91 CC(C)COC1=NC=CC=C1 DY655892 [0,0,0,0,0,1|3,0,0]=4 13 B11R1.91 CC(C)\N=C\C1=CC=CC=C1 DY797541 [0,0,0,0,0,1|2,0,1]=4 14 B11R1.91 CC(O)CCC1=CC=CC=C1 DY746761 [0,0,0,0,0,1|3,0,0]=4 15 B8R1.8 CCCC1=NC=CN1 NO14621 [2,0,0,0,0,0|2,0,0]=4 16 B8R1.8 CCCC1=NN=CO1 DY772845 [2,0,0,0,0,0|2,0,0]=4 17 B8R1.8 CSCC1=CC=CO1 DY523785 [2,0,0,0,0,0|0,0,0]=2 18 B8R1.8 NCCC1=CC=CN1 DY717219 [2,0,0,0,0,0|2,0,0]=4 19 B8R1.8 OCCC1=CC=CS1 NO14939 [2,0,0,0,0,0|1,1,0]=4 20 B10R1.11 CCOC(=O)C1=CC=CO1 DY10319 [1,1,0,0,0,0|0,1,1]=4 21 B10R1.21 C=CCNCC1=CC=CO1 DY614831 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.21 CCCCCc1cccs1 DY585146 [1,1,0,0,0,0|1,1,0]=4 23 B10R1.21 NCCSCC1=CC=CO1 DY794745 [1,1,0,0,0,0|0,0,0]=2 24 B10R1.21 OCCNCC1=CC=CO1 DY615064 [1,1,0,0,0,0|1,0,0]=3 25 B10R1.64 CC(C)CN1N=CC=C1Cl DY648934 [0,1,0,0,1,0|2,0,0]=4 26 B12R1.21 CC(C)NCC1=CC=C(Cl)N=C1 DY663008 [0,1,0,0,0,1|2,0,0]=4 27 B12R1.21 CC(C)NCC1=CC=C(F)C=C1 DY610016 [0,1,0,0,0,1|2,0,0]=4 28 B12R1.27 CCC(C)NCc1ccccc1 DY555507 [0,1,0,0,0,1|2,0,0]=4 29 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 NO11754 [0,1,0,0,0,1|2,0,0]=4 30 B12R1.43 CC(C)C(=O)CC1=CC=CN=C1 DY714151 [0,1,0,0,0,1|2,0,0]=4 31 B12R1.107 CC(C)NC(C)C1=NC=CN=C1 DY710269 [0,1,0,0,0,1|2,0,0]=4 32 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 DY626041 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.107 CC(C)N[C@H](C)C1=CC=CC=C1 DY622905 [0,1,0,0,0,1|2,0,0]=4 34 B12R1.125 CC(C)NCC1=C(Cl)C=CC=C1 DY611009 [0,1,0,0,0,1|2,0,0]=4 35 B12R1.226 CC(C)NCC1=CC(Br)=NC=C1 DY715016 [0,1,0,0,0,1|2,0,0]=4 36 B12R1.891 CC(C)(C)NCC1=NC=CC=C1 DY611097 [0,1,0,0,0,1|2,0,0]=4 37 B12R1.264 C[C@H](N)C(=O)NCC1=CC=CO1 DY624745 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.26 CCC(C)NCC1=CC=C(C)S1 DY614897 [0,2,0,0,0,0|1,1,0]=4 39 B12R1.297 CCC(CO)NCC1=CC=CS1 DY614586 [0,2,0,0,0,0|1,1,0]=4 40 B12R1.129 CC1=C(CNC(C)(C)C)SC=C1 DY609212 [0,2,0,0,0,0|1,1,0]=4 41 B10R2.7 C1=CC2=C(CNCC2)S1 NO22489 [1,0,0,1,0,0|1,1,0]=4 42 B12R2.92 CC1(C)NC1C2=CC=CC=C2 DY743833 [0,0,0,1,0,1|2,0,0]=4 43 B12R2.2298 CC1=CC=C(CNC2CC2)S1 DY614770 [0,1,0,1,0,0|1,1,0]=4 44 B12R2.466 CN1C=CC=C1CNC2CC2 DY717837 [0,1,0,1,0,0|2,0,0]=4 45 B8R1.7 CC(=O)C1=CC=CO1 NO18634 [0,0,0,0,2,0|1,0,1]=4 46 B8R1.7 CC(C)C1=CN=CS1 DY785650 [0,0,0,0,2,0|1,1,0]=4 47 B8R1.7 CC(C)C1=CNC=C1 DY447203 [0,0,0,0,2,0|2,0,0]=4 48 B8R1.7 CC(C)C1=NC=CN1 NO21624 [0,0,0,0,2,0|2,0,0]=4 49 B8R1.7 CC(N)C1=CC=CN1 DY717705 [0,0,0,0,2,0|2,0,0]=4 50 B8R1.7 CC(N)C1=CC=CS1 DY585951 [0,0,0,0,2,0|1,1,0]=4 51 B8R1.7 C[C@@H](O)C1=CC=CO1 DY621645 [0,0,0,0,2,0|1,0,0]=3 52 B8R1.7 C[C@@H](O)C1=CC=CS1 DY621687 [0,0,0,0,2,0|1,1,0]=4 53 B10R1.17 CCOCC1=CC=NC=C1 DY657931 [1,0,0,0,0,1|1,1,0]=4 54 B12R1.252 CC(C)CNCC1=CC=NC=C1 DY611023 [0,0,0,0,0,2|2,0,0]=4