0 B13R1.718 C=CC(=O)OCCC1=CC=CC=C1 P303520 [0,0,0,0,0,0|3,1,0]=4 1 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 P160125 [0,0,0,0,0,0|3,1,0]=4 2 B13R1.718 [Na]OC(=O)CCCC1=CC=CC=C1 S408179 [0,0,0,0,0,0|3,1,0]=4 3 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P132032 [1,0,0,0,0,0|2,1,0]=4 4 B12R1.252 C1=CC=C(C=C1)CCCC(=O)O P422236 [1,0,0,0,0,0|2,1,0]=4 5 B12R1.252 C1=CC=C(C=C1)CCCC(=O)[O-] S305161 [1,0,0,0,0,0|2,1,0]=4 6 B12R1.252 CC(=O)NCCC1=CC=CC=C1 N159423 [1,0,0,0,0,0|1,1,0]=3 7 B12R1.252 CC(=O)OCCC1=CC=CC=C1 P160150 [1,0,0,0,0,0|2,1,0]=4 8 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117491 [0,0,0,1,0,0|2,1,0]=4 9 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117536 [0,0,0,1,0,0|2,1,0]=4 10 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117537 [0,0,0,1,0,0|2,1,0]=4 11 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 R464185 [0,0,0,1,0,0|2,0,1]=4 12 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 S464396 [0,0,0,1,0,0|2,0,1]=4 13 B14R2.19 C1C(NC(=S)S1)CC2=CC=CC=C2 S464076 [0,0,0,1,0,0|2,0,1]=4 14 B12R1.27 C1=CC=C(C=C1)CNC(=O)CCl C169076 [0,0,0,0,1,0|2,1,0]=4 15 B12R1.27 C1=CC=C(C=C1)COC(=O)CN G100449 [0,0,0,0,1,0|2,1,0]=4 16 B12R1.27 C1=CC=C(C=C1)COC(=O)CN G105480 [0,0,0,0,1,0|2,1,0]=4 17 B12R1.27 C1=CC=C(C=C1)COC(=O)NN B106008 [0,0,0,0,1,0|1,1,1]=4 18 B12R1.27 COC(=O)CCC1=CC=CC=C1 M103601 [0,0,0,0,1,0|2,1,0]=4 19 B12R1.27 COC(=O)CCC1=CC=CC=C1 M140616 [0,0,0,0,1,0|2,1,0]=4 20 B11R1.28 C1=CC=C(C=C1)CCCCN B292880 [2,0,0,0,0,0|1,0,1]=4 21 B11R1.28 C1=CC=C(C=C1)CCCCN P160136 [2,0,0,0,0,0|1,0,1]=4 22 B11R1.28 C1=CC=C(C=C1)CCCCN P160137 [2,0,0,0,0,0|1,0,1]=4 23 B11R1.28 C1=CC=C(C=C1)CCCCN P493282 [2,0,0,0,0,0|1,0,1]=4 24 B11R1.28 C1=CC=C(C=C1)CCNC=O I168819 [2,0,0,0,0,0|0,1,0]=3 25 B11R1.28 C1=CC=C(C=C1)CCOC=O F302132 [2,0,0,0,0,0|1,1,0]=4 26 B11R1.28 C1=CC=C(C=C1)CNCCN B124211 [2,0,0,0,0,0|1,0,1]=4 27 B15R1.9084 C1=CC=C(C=C1)CCN=C(N)N=C(N)N P102146 [0,2,0,0,0,0|1,0,1]=4 28 B15R1.9084 CC(=NC(=NCCC1=CC=CC=C1)N)N R304308 [0,2,0,0,0,0|1,0,1]=4 29 B15R1.9084 NC(=N)NC(=N)NCCC1=CC=CC=C1 P408094 [0,2,0,0,0,0|1,0,1]=4 30 B13R2.3 C1CNC(CN1)C2=CC=CC=C2 P468169 [1,0,0,1,0,0|1,0,1]=4 31 B13R2.1613 C1CC2=CC=CC=C2C(=NO)C1 A169662 [1,0,0,1,0,0|2,0,0]=4 32 B13R2.10 C1C(CNC1=O)C2=CC=CC=C2 P190023 [1,0,0,1,0,0|1,1,0]=4 33 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 P107587 [1,0,0,1,0,0|1,1,0]=4 34 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 P111345 [1,0,0,1,0,0|1,1,0]=4 35 B13R2.10 C1C(NC(=S)O1)C2=CC=CC=C2 R131929 [1,0,0,1,0,0|1,0,1]=4 36 B13R2.10 C1C(NC(=S)S1)C2=CC=CC=C2 S161095 [1,0,0,1,0,0|1,0,1]=4 37 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 A121612 [1,0,0,1,0,0|1,1,0]=4 38 B13R2.163 C1CC2=CC=CC=C2NC(=O)C1 D589134 [1,0,0,1,0,0|1,1,0]=4 39 B15R2.2196 C1CSC(=N1)NCCC2=CC=CC=C2 C416710 [0,1,0,1,0,0|1,0,0]=3 40 B11R1.91 C1=CC=C(C=C1)CCC(=O)Cl P101406 [1,0,0,0,1,0|1,1,0]=4 41 B11R1.91 C1=CC=C(C=C1)CCC(=O)N P160460 [1,0,0,0,1,0|0,1,0]=3 42 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109276 [1,0,0,0,1,0|1,1,0]=4 43 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P109277 [1,0,0,0,1,0|1,1,0]=4 44 B11R1.91 C1=CC=C(C=C1)CCC(=O)O P424323 [1,0,0,0,1,0|1,1,0]=4 45 B11R1.91 C1=CC=C(C=C1)CN=C(N)N B588431 [1,0,0,0,1,0|1,0,1]=4 46 B11R1.91 C1=CC=C(C=C1)CNC(=O)N B136656 [1,0,0,0,1,0|0,1,0]=3 47 B11R1.91 C1=CC=C(C=C1)CNC(=S)N B152324 [1,0,0,0,1,0|0,0,1]=3 48 B11R1.91 C1=CC=C(C=C1)COC(=O)N B152709 [1,0,0,0,1,0|1,1,0]=4 49 B11R1.91 C1=CC=C(C=C1)CSC(=N)N B105227 [1,0,0,0,1,0|2,0,0]=4 50 B11R1.91 C1=CC=C(C=C1)NCC(=O)N A357212 [1,0,0,0,1,0|1,1,0]=4 51 B11R1.91 C1=CC=C(C=C1)NNC(=O)N P160542 [1,0,0,0,1,0|1,1,0]=4 52 B11R1.91 C1=CC=C(C=C1)NNC(=S)N P160248 [1,0,0,0,1,0|1,0,1]=4 53 B11R1.91 C1=CC=C(C=C1)OCC(=N)N B301361 [1,0,0,0,1,0|2,0,0]=4 54 B11R1.91 C1=CC=C(C=C1)OCC(=O)N P300417 [1,0,0,0,1,0|1,1,0]=4 55 B11R1.91 CC(=O)CCC1=CC=CC=C1 P106914 [1,0,0,0,1,0|1,1,0]=4 56 B11R1.91 CC(=O)NCC1=CC=CC=C1 N159297 [1,0,0,0,1,0|1,1,0]=4 57 B11R1.91 CC(CCC1=CC=CC=C1)N M168739 [1,0,0,0,1,0|1,0,1]=4 58 B11R1.40 C1=CC=C(C=C1)CC(=O)NN P160484 [0,0,0,0,2,0|0,1,1]=4 59 B11R1.40 C1=CC=C(C=C1)NC(=O)NN P160543 [0,0,0,0,2,0|0,1,1]=4