0 B13R2.328 CN1CC(=O)C2=C(C=CC=C2)C1 F12572 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.328 CN1CC(=O)C2=C(C=CC=C2)C1 F12579 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.328 NC1=NC(=O)C2=C(C=CC=C2)S1 D73546 [0,0,0,0,0,0|3,1,0]=4 3 B13R2.328 O=C1C=C(Cl)C2=C(C=CC=C2)O1 D76212 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.328 O=C1C=C(I)OC2=C1C=CC=C2 C91932 [0,0,0,0,0,0|3,0,0]=3 5 B13R2.328 O=C1N=C(Cl)SC2=C1C=CC=C2 D72895 [0,0,0,0,0,0|3,1,0]=4 6 B13R2.328 O=C1NC(=O)C2=C(C=CC=C2)S1 D73547 [0,0,0,0,0,0|2,1,1]=4 7 B13R2.328 O=C1NC(=S)SC2=C1C=CC=C2 D73549 [0,0,0,0,0,0|2,2,0]=4 8 B13R2.328 O=C1NC(Cl)=CC2=C1C=CC=C2 32072 [0,0,0,0,0,0|4,0,0]=4 9 B12R2.1081 O=C1CNCC2=C1C=CC=C2 F12400 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.1081 O=C1OC=NC2=C1C=CC=C2 D72797 [1,0,0,0,0,0|2,0,0]=3 11 B14R2.8235 CC1=CC(=O)C2=C(C=CC(Cl)=C2)O1 F19840 [0,1,0,0,0,0|3,0,0]=4 12 B14R2.8235 O=C1CC2=C(C=C(Br)C=C2)C(=O)O1 A51200 [0,1,0,0,0,0|2,0,1]=4 13 B14R2.28480 O=C1NC2=C(C(=O)O1)C(O)=CC=C2 F51218 [0,1,0,0,0,0|2,0,1]=4 14 B14R2.29365 C[C@H]1CC2=C(C=CC(Br)=C2)C(=O)O1 56658 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.29365 O=C1NC(=O)C2=C(C=C(Cl)C=C2)O1 W17112 [0,1,0,0,0,0|2,0,1]=4 16 B14R2.29365 O=C1NC2=C(C=CC(O)=C2)C(=O)O1 69869 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.283 N#CCC1=C(C(=O)O)C=CC=C1 BL003377 [0,0,1,0,0,0|3,0,0]=4 18 B12R1.308 C=COC(=O)C1=C(Cl)C=CC=C1 T70344 [0,0,1,0,0,0|3,0,0]=4 19 B12R1.308 CCOC(=O)C1=NC=CC=C1O AC5369 [0,0,1,0,0,0|3,0,0]=4 20 B12R2.18 BrC1=C(Br)C2=C(C=CC=C2)O1 95276 [0,0,0,0,1,0|3,0,0]=4 21 B12R2.18 N[C@H]1CC2=C(C=CC=C2)C1=O 66097 [0,0,0,0,1,0|3,0,0]=4 22 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O AC2209 [0,0,0,0,1,0|1,0,1]=3 23 B12R2.2028 O=C1C[C@H](O)C2=C1C=CC=C2 93243 [0,0,0,0,1,0|2,0,0]=3 24 B12R2.2028 O=C1N[C@@H](O)C2=C1C=CC=N2 C14231 [0,0,0,0,1,0|3,0,0]=4 25 B14R2.52 O=C1COC2=C(C=CC=C2)C(=O)N1 AT25864 [0,0,0,0,0,1|2,0,1]=4 26 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 O10854 [1,0,1,0,0,0|2,0,0]=4 27 B11R1.53 O=C(O)C1=NC=CC=C1CO D77137 [1,0,1,0,0,0|2,0,0]=4 28 B11R1.222 CC1=C(C(=O)CO)C=CC=C1 AC4310 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 W12757 [1,0,1,0,0,0|2,0,0]=4 30 B11R1.222 O=C(CO)C1=C(Br)C=CC=C1 AC7495 [1,0,1,0,0,0|2,0,0]=4 31 B11R1.222 O=C(CO)C1=C(F)C=CC=C1 AC5617 [1,0,1,0,0,0|2,0,0]=4 32 B11R1.222 O=C(CO)C1=C(I)C=CC=C1 AC7053 [1,0,1,0,0,0|2,0,0]=4 33 B13R1.572 C#CCOC1=C(C(=O)O)C=CC=C1 AT18967 [0,1,1,0,0,0|2,0,0]=4 34 B13R1.572 O=C(O)C1=C(OCCF)C=CC=C1 AT21996 [0,1,1,0,0,0|2,0,0]=4 35 B13R2.45 CC1=C(CO)OC2=C1C=CC=C2 AC6351 [0,1,0,0,1,0|2,0,0]=4 36 B13R2.2931 CO[IH2]1OC(=O)C2=C1C=CC=C2 S11240 [0,1,0,0,1,0|1,0,0]=3 37 B13R2.2931 N#C[IH2]1OC(=O)C2=C1C=CC=C2 C73315 [0,1,0,0,1,0|2,0,0]=4 38 B13R2.5187 O=C1O[C@@H](Br)C2=C1C=C(Br)C=C2 94688 [0,1,0,0,1,0|2,0,0]=4 39 B13R2.12159 CC1(C)OC(=O)C2=C1C=CC=C2 A10944 [0,1,0,0,1,0|2,0,0]=4 40 B15R2.886 CCOC1=NC2=C(C=CC=C2)C(=O)O1 D72798 [0,2,0,0,0,0|2,0,0]=4 41 B15R2.14951 O=C(O)C1=CC2=C(C=CC=C2)C(=O)O1 AC5673 [0,2,0,0,0,0|2,0,0]=4 42 B15R2.13615 CC1(C)OC(=O)C2=C(O1)C(O)=CC=C2 91815 [0,2,0,0,0,0|2,0,0]=4 43 B15R2.63911 CC1(C)OC(=O)C2=C(C=C(F)C=C2)O1 W16455 [0,2,0,0,0,0|2,0,0]=4 44 B15R2.63911 CC1(C)OC(=O)C2=C(C=C(O)C=C2)O1 AC8742 [0,2,0,0,0,0|2,0,0]=4 45 B13R2.5569 NC(=O)C1=C2OCOC2=CC=C1 AC6635 [0,0,1,1,0,0|2,0,0]=4 46 B13R2.5569 O=C(O)C1=C2OCOC2=NC=C1 D85483 [0,0,1,1,0,0|2,0,0]=4 47 B11R2.1 ON1N=CC2=C1C=CC=C2 E70293 [1,0,0,0,1,0|2,0,0]=4 48 B11R2.10 ClC1=CC2=C(C=CC=C2)O1 AC6512 [1,0,0,0,1,0|2,0,0]=4