0 B12R2.252 S1C(=CC2=C1SC=C2)C(=O)O ACS018787 [0,0,0,0,0,0|2,1,0]=3 1 B12R2.252 S1C=2C(C=C1C(=O)O)=CSC2 ACS018788 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.430 C(C)(=O)C1=CC=C2C=CNC2=C1 ACS011763 [0,0,0,0,0,1|3,0,0]=4 3 B13R2.430 N1C=CC2=CC=C(C=C12)C(=O)O ACS016571 [0,0,0,0,0,1|2,0,0]=3 4 B13R2.430 N=1C=CN2C1C=C(C=C2)C(=O)O ACS020182 [0,0,0,0,0,1|3,0,0]=4 5 B13R2.430 O1C=CC2=C1C=C(C=C2)B(O)O ACS018110 [0,0,0,0,0,1|2,0,1]=4 6 B13R2.430 O1C=CC2=C1C=C(C=C2)C(=O)O ACS017488 [0,0,0,0,0,1|1,0,0]=2 7 B13R2.430 O1C=CC2=C1C=CC(=C2)B(O)O ACS018109 [0,0,0,0,0,1|2,0,1]=4 8 B13R2.430 O1C=CC2=C1C=CC(=C2)C(=O)O ACS017487 [0,0,0,0,0,1|1,0,0]=2 9 B13R2.430 O1CCC2=C1C=C(C=C2)C(=O)O ACS019510 [0,0,0,0,0,1|1,0,2]=4 10 B13R2.430 S1C2=C(C=C1)C=C(C=C2)C(=O)O ACS017464 [0,0,0,0,0,1|1,1,0]=3 11 B13R2.430 S1C2=C(C=C1)C=CC(=C2)C(=O)O ACS017465 [0,0,0,0,0,1|1,1,0]=3 12 B13R2.430 [N+](=O)([O-])C=1C=CC2=C(C=CO2)C1 ACS020505 [0,0,0,0,0,1|2,0,1]=4 13 B13R2.435 N1=C2C(=NC=C1)SC(=C2)C(=O)O ACS017737 [0,0,0,0,0,1|2,0,0]=3 14 B13R2.435 N1C(CC2=CC=CC=C12)C(=O)O ACS010434 [0,0,0,0,0,1|1,0,2]=4 15 B13R2.435 N=1C(=CN2C1C=NC=C2)C(=O)O ACS019230 [0,0,0,0,0,1|2,0,1]=4 16 B13R2.435 N=1C(=CN2C1N=CC=C2)C(=O)O ACS020845 [0,0,0,0,0,1|2,0,1]=4 17 B13R2.435 O1C(=NC2=C1C=CC=C2)C(=O)O ACS019479 [0,0,0,0,0,1|2,0,1]=4 18 B13R2.435 S1C(=CC2=NC=CC=C21)C(=O)O ACS018423 [0,0,0,0,0,1|2,0,0]=3 19 B13R2.435 S1C(=CC=2C1=CN=CC2)C(=O)O ACS017727 [0,0,0,0,0,1|2,0,0]=3 20 B13R2.435 S1C(=CC=2C1=NC=CC2)C(=O)O ACS017496 [0,0,0,0,0,1|2,0,0]=3 21 B13R2.435 S1C(=CC=2C=NC=CC21)C(=O)O ACS017501 [0,0,0,0,0,1|2,0,0]=3 22 B10R1.66 O1C(=CC=C1)C=CC(=O)O ACS015361 [1,0,1,0,0,0|0,0,0]=2 23 B10R1.66 O1C(=CC=C1)CCC(=O)O ACS015358 [1,0,1,0,0,0|0,0,2]=4 24 B10R1.31 C(=O)C1=CC=C(S1)C(=O)O ACS015355 [1,0,1,0,0,0|1,0,1]=4 25 B14R2.601 CC=1OC2=C(N1)C=C(C=C2)C(=O)O ACS019239 [0,1,0,0,0,1|2,0,0]=4 26 B14R2.601 CC=1OC2=C(N1)C=CC(=C2)C(=O)O ACS019237 [0,1,0,0,0,1|2,0,0]=4 27 B14R2.624 FC1=C(C=C2C(=N1)NC=C2)C(=O)O ACF021936 [0,1,0,0,0,1|2,0,0]=4 28 B14R2.624 FC=1C=C2C=CNC2=CC1C(=O)O ACF022129 [0,1,0,0,0,1|2,0,0]=4 29 B14R2.5998 FC1=C2C(=NC=C1C(=O)O)NC=C2 ACF021929 [0,1,0,0,0,1|2,0,0]=4 30 B14R2.5998 FC=1C(=CC=C2C=CNC12)C(=O)O ACF021814 [0,1,0,0,0,1|2,0,0]=4 31 B14R2.8824 FC1=C2C=CNC2=CC(=C1)C(=O)O ACF022113 [0,1,0,0,0,1|2,0,0]=4 32 B14R2.450 CC1=C(OC2=C1C=CC=C2)C(=O)O ACS015492 [0,1,0,0,0,1|2,0,0]=4 33 B14R2.450 FC1=C(NC2=NC=CC=C21)C(=O)O ACF021931 [0,1,0,0,0,1|1,0,0]=3 34 B14R2.4529 BrC1=CC2=C(C=C(O2)C(=O)O)C=C1 ACS017483 [0,1,0,0,0,1|2,0,0]=4 35 B14R2.4529 BrC1=CC2=C(NC(=N2)C(=O)O)C=C1 ACS015431 [0,1,0,0,0,1|2,0,0]=4 36 B14R2.4529 BrC1=CC=C2C=C(NC2=C1)C(=O)O ACS010203 [0,1,0,0,0,1|1,0,0]=3 37 B14R2.4529 BrC=1C=C2C(=NC1)SC(=C2)C(=O)O ACS017723 [0,1,0,0,0,1|2,0,0]=4 38 B14R2.4529 BrC=1C=C2C=C(NC2=CC1)C(=O)O ACS016936 [0,1,0,0,0,1|1,0,0]=3 39 B14R2.4529 BrC=1C=CC2=C(C=C(O2)C(=O)O)C1 ACS017482 [0,1,0,0,0,1|2,0,0]=4 40 B14R2.4529 BrC=1C=CC2=C(C=C(S2)C(=O)O)C1 ACS015432 [0,1,0,0,0,1|2,0,0]=4 41 B14R2.4529 BrC=1C=CC2=C(SC(=C2)C(=O)O)C1 ACS017278 [0,1,0,0,0,1|2,0,0]=4 42 B14R2.4529 CC1=CC2=C(C=C(O2)C(=O)O)C=C1 ACS017710 [0,1,0,0,0,1|2,0,0]=4 43 B14R2.4529 CC1=CC2=C(C=C(S2)C(=O)O)C=C1 ACS015493 [0,1,0,0,0,1|2,0,0]=4 44 B14R2.4529 CC1=CC=C2C(=N1)SC(=C2)C(=O)O ACS017721 [0,1,0,0,0,1|2,0,0]=4 45 B14R2.4529 CC=1C=C2C=C(NC2=CC1)C(=O)O ACS016930 [0,1,0,0,0,1|1,0,0]=3 46 B14R2.4529 CC=1C=CC2=C(C=C(O2)C(=O)O)C1 ACS017708 [0,1,0,0,0,1|2,0,0]=4 47 B14R2.4529 ClC1=CC2=C(C=C(O2)C(=O)O)C=C1 ACS017709 [0,1,0,0,0,1|2,0,0]=4 48 B14R2.4529 ClC1=CC2=C(SC(=C2)C(=O)O)C=C1 ACS017454 [0,1,0,0,0,1|2,0,0]=4 49 B14R2.4529 ClC1=CC=C2C=C(NC2=C1)C(=O)O ACS010205 [0,1,0,0,0,1|1,0,0]=3 50 B14R2.4529 ClC=1C=CC2=C(C=C(O2)C(=O)O)C1 ACS017493 [0,1,0,0,0,1|2,0,0]=4 51 B14R2.4529 ClC=1C=CC2=C(SC(=C2)C(=O)O)C1 ACS020443 [0,1,0,0,0,1|2,0,0]=4 52 B14R2.4529 FC1=CC2=C(C=C(O2)C(=O)O)C=C1 ACF017711 [0,1,0,0,0,1|2,0,0]=4 53 B14R2.4529 FC1=CC=C2C=C(NC2=C1)C(=O)O ACF010209 [0,1,0,0,0,1|1,0,0]=3 54 B14R2.4529 FC=1C=C2C(=NC1)NC(=C2)C(=O)O ACF021067 [0,1,0,0,0,1|1,0,0]=3 55 B14R2.4529 FC=1C=C2C=C(NC2=CC1)C(=O)O ACF010208 [0,1,0,0,0,1|1,0,0]=3 56 B14R2.4529 FC=1C=CC2=C(C=C(O2)C(=O)O)C1 ACF017494 [0,1,0,0,0,1|2,0,0]=4 57 B14R2.4529 FC=1C=CC2=C(C=C(S2)C(=O)O)C1 ACF015471 [0,1,0,0,0,1|2,0,0]=4 58 B14R2.4529 FC=1C=CC2=C(NC(=N2)C(=O)O)C1 ACF022063 [0,1,0,0,0,1|2,0,0]=4 59 B14R2.7969 BrC1=C2C(=CN=C1)SC(=C2)C(=O)O ACS017498 [0,1,0,0,0,1|2,0,0]=4 60 B14R2.7969 BrC1=CC=CC2=C1C=C(O2)C(=O)O ACS017713 [0,1,0,0,0,1|2,0,0]=4 61 B14R2.7969 BrC1=CC=CC2=C1SC(=C2)C(=O)O ACS017456 [0,1,0,0,0,1|2,0,0]=4 62 B14R2.7969 BrC1=CC=CC=2C=C(OC21)C(=O)O ACS017689 [0,1,0,0,0,1|2,0,0]=4 63 B14R2.7969 BrC1=CC=CC=2SC(=CC21)C(=O)O ACS017457 [0,1,0,0,0,1|2,0,0]=4 64 B14R2.7969 CC1=CC=CC2=C1SC(=C2)C(=O)O ACS017455 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.7969 CC1=CC=CC=2C=C(OC21)C(=O)O ACS017707 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.7969 CC1=CC=CC=2SC(=CC21)C(=O)O ACS017313 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.7969 ClC1=C2C(=CN=C1)SC(=C2)C(=O)O ACS017499 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.7969 ClC1=CC=CC2=C1C=C(O2)C(=O)O ACS017712 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.7969 ClC1=CC=CC2=C1C=C(S2)C(=O)O ACS015442 [0,1,0,0,0,1|2,0,0]=4 70 B14R2.7969 ClC1=CC=CC2=C1SC(=C2)C(=O)O ACS020096 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.7969 ClC1=NC=CC2=C1C=C(S2)C(=O)O ACS017734 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.7969 ClC=1N=CC=C2C1SC(=C2)C(=O)O ACS017729 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.7969 FC1=C2C=C(NC2=CC=C1)C(=O)O ACF022072 [0,1,0,0,0,1|1,0,0]=3 74 B14R2.7969 FC1=CC=CC2=C1C=C(O2)C(=O)O ACF017714 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.7969 FC1=CC=CC2=C1SC(=C2)C(=O)O ACF017458 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.7969 FC1=CC=CC=2C=C(OC21)C(=O)O ACF017687 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.7969 FC1=CC=CC=2SC(=CC21)C(=O)O ACF017459 [0,1,0,0,0,1|2,0,0]=4 78 B14R2.7969 FC=1C2=C(N=CN1)NC(=C2)C(=O)O ACF021087 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.226 BrC=1C=C(C=CC(=O)O)C=CC1 ACS017119 [0,0,1,0,0,1|2,0,0]=4 80 B12R1.226 ClC=1C=C(C=CC(=O)O)C=CC1 ACS013023 [0,0,1,0,0,1|2,0,0]=4 81 B12R1.226 FC=1C=C(C=CC(=O)O)C=CC1 ACF013032 [0,0,1,0,0,1|2,0,0]=4 82 B12R2.32 S1C(=CC=2C1=CN=CC2)C=O ACS018385 [1,0,0,0,0,1|2,0,0]=4 83 B12R2.44 O1C=CC2=C1C=C(C=C2)C=O ACS017468 [1,0,0,0,0,1|1,0,0]=3 84 B12R2.44 O1C=CC2=C1C=CC(=C2)C=O ACS010991 [1,0,0,0,0,1|1,0,0]=3 85 B12R2.44 S1C2=C(C=C1)C=CC(=C2)C=O ACS017652 [1,0,0,0,0,1|1,1,0]=4 86 B14R2.781 N1=C(C=CC2=CC=NC=C12)C(=O)O ACS019612 [0,0,0,0,0,2|1,0,1]=4 87 B14R2.781 N1=CC=CC2=CC(=CC=C12)C(=O)O ACS023726 [0,0,0,0,0,2|2,0,0]=4 88 B14R2.768 N1C(=NC2=C1C=CC=C2)CC(=O)O ACS024015 [0,0,0,0,0,2|2,0,0]=4