0 B11R2.15 NCC1=CC2=C(S1)C=CO2 Z4439014643 [0,0,0,0,0,0|2,0,2]=4 1 B11R2.15 O=CC1=CC2=C(N1)C=CS2 Z3243061496 [0,0,0,0,0,0|2,1,0]=3 2 B11R2.15 O=CC1=CC2=C(S1)C=CO2 Z2732463073 [0,0,0,0,0,0|3,0,0]=3 3 B11R2.15 O=CC1=CC2=C(S1)C=CS2 Z1255361000 [0,0,0,0,0,0|3,1,0]=4 4 B11R2.15 O=CC1=CN2C=CN=C2S1 Z1255451728 [0,0,0,0,0,0|4,0,0]=4 5 B10R2.2 CC1=CC2=C(N1)SC=C2 Z1486022690 [1,0,0,0,0,0|2,0,1]=4 6 B12R2.30 CN1C(=CC2=C1SC=C2)C=O Z1416183263 [0,1,0,0,0,0|3,0,0]=4 7 B12R2.252 NC(=O)C1=CC2=C(N1)C=CS2 Z1255450918 [0,1,0,0,0,0|1,1,1]=4 8 B12R2.252 NC(=O)C1=CC2=C(N1)N=CS2 Z2313100386 [0,1,0,0,0,0|0,1,1]=3 9 B12R2.252 O=C(O)C1=CC2=C(N1)C=CO2 Z1198172211 [0,1,0,0,0,0|2,0,0]=3 10 B12R2.252 O=C(O)C1=CC2=C(N1)C=CS2 Z1162419603 [0,1,0,0,0,0|2,1,0]=4 11 B12R2.252 O=C(O)C1=CC2=C(N1)N=CS2 Z1198322180 [0,1,0,0,0,0|1,1,0]=3 12 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 Z235000792 [0,1,0,0,0,0|3,0,0]=4 13 B12R2.252 O=C(O)C1=CC2=C(S1)C=CO2 Z1227757230 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.364 CC1=CC2=C(S1)C=C(N2)C=O Z2732489903 [0,1,0,0,0,0|2,1,0]=4 15 B12R2.364 O=CC1=CC2=C(N1)C=C(S2)Cl Z3446635381 [0,1,0,0,0,0|2,1,0]=4 16 B12R2.2040 O=CC1=CC2=C(N1)C(=CS2)Br Z3175386079 [0,1,0,0,0,0|2,1,0]=4 17 B10R1.27 C/C(=C\C1=CC=CO1)/C=O Z3061414163 [0,0,1,0,0,0|3,0,0]=4 18 B12R2.32 NCC1=CC2=C(N1)N=CC=C2 Z2310722918 [0,0,0,0,0,1|1,0,2]=4 19 B12R2.32 O=CC1=CC2=C(N1)C=CC=C2 Z1203160203 [0,0,0,0,0,1|3,0,0]=4 20 B12R2.32 O=CC1=CC2=C(N1)C=CC=N2 Z1198177421 [0,0,0,0,0,1|3,0,0]=4 21 B12R2.32 O=CC1=CC2=C(N1)C=CN=C2 Z3305262316 [0,0,0,0,0,1|3,0,0]=4 22 B12R2.32 O=CC1=CC2=C(N1)N=CC=C2 Z1198177420 [0,0,0,0,0,1|2,0,0]=3 23 B12R2.32 O=CC1=CC2=C(O1)N=CC=C2 Z1255505540 [0,0,0,0,0,1|3,0,0]=4 24 B12R2.32 O=CC1=CC2=C(S1)C=NC=C2 Z1198309374 [0,0,0,0,0,1|3,0,0]=4 25 B12R2.32 O=CC1=CC2=C(S1)N=CC=C2 Z1160905957 [0,0,0,0,0,1|3,0,0]=4 26 B12R2.44 COC1=CC2=C(C=C1)OC=N2 Z1198314976 [0,0,0,0,0,1|3,0,0]=4 27 B12R2.44 N#CC1=CC2=C(C=C1)OC=N2 Z1033256930 [0,0,0,0,0,1|1,0,2]=4 28 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 Z1255419863 [0,0,0,0,0,1|2,1,0]=4 29 B12R2.44 O=CC1=CC2=C(C=C1)NC=N2 Z1021421726 [0,0,0,0,0,1|3,0,0]=4 30 B12R2.44 O=CC1=CC2=C(C=C1)OC=C2 Z1201622196 [0,0,0,0,0,1|3,0,0]=4 31 B12R2.44 O=CC1=CC2=C(C=C1)SC=N2 Z1255396184 [0,0,0,0,0,1|2,1,0]=4 32 B12R2.44 O=CC1=NC2=C(C=C1)OC=C2 Z1416197932 [0,0,0,0,0,1|2,0,1]=4 33 B9R1.12 O=C/C=C/C1=CC=CO1 Z3219926044 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.43 O=CC1=CC=C(N1)CC(=O)O Z1216832584 [0,1,1,0,0,0|2,0,0]=4 35 B13R2.435 O=C(O)C1=CC2=C(N1)C=NC=C2 Z1198323516 [0,1,0,0,0,1|2,0,0]=4 36 B13R2.430 N=C(N)C1=CC2=C(C=C1)NC=N2 Z2310699378 [0,1,0,0,0,1|2,0,0]=4 37 B13R2.430 NC(=O)C1=CC2=C(C=C1)N=CO2 Z1082678580 [0,1,0,0,0,1|1,0,1]=4 38 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 Z1198266513 [0,1,0,0,0,1|2,0,0]=4 39 B13R2.430 O=C(O)C1=CC2=C(N=CO2)N=C1 Z3243061666 [0,1,0,0,0,1|1,0,1]=4 40 B13R2.430 O=C(O)C1=CNC2=NC=CC2=C1 Z2238508556 [0,1,0,0,0,1|2,0,0]=4 41 B13R2.430 O=C(O)C1=CNC2=NC=NC2=C1 Z1539988083 [0,1,0,0,0,1|2,0,0]=4 42 B13R2.430 O=C(O)C1=NC2=C(C=C1)OC=N2 Z1551949931 [0,1,0,0,0,1|1,0,1]=4 43 B13R2.2121 CC1=NC2=C(O1)C=C(C=C2)C=O Z1322794612 [0,1,0,0,0,1|2,0,0]=4 44 B13R2.2121 CC1=NC2=C(O1)C=CC(=C2)C=O Z1251362210 [0,1,0,0,0,1|2,0,0]=4 45 B13R2.2334 CN1C(=CC2=C1C=CO2)C(=O)O Z1201624163 [0,2,0,0,0,0|2,0,0]=4 46 B13R2.531 COC(=O)C1=CC2=C(N1)C=CO2 Z1201623837 [0,2,0,0,0,0|2,0,0]=4 47 B13R2.531 COC(=O)C1=CC2=C(N1)N=CS2 Z1509341014 [0,2,0,0,0,0|1,1,0]=4 48 B13R2.400 CC1=CC2=C(O1)C=C(N2)C(=O)O Z1198173265 [0,2,0,0,0,0|2,0,0]=4 49 B13R2.400 CC1=NC2=C(S1)C=C(N2)C(=O)O Z1258976882 [0,2,0,0,0,0|1,1,0]=4 50 B13R2.3678 CN1C=NC2=C1C=C(N2)C(=O)O Z1258976896 [0,2,0,0,0,0|2,0,0]=4 51 B13R2.3678 O=C(O)C1=CC2=C(N1)C(=CO2)Br Z1269239471 [0,2,0,0,0,0|2,0,0]=4 52 B11R2.36 BrC1=CC2=C(C=C1)N=CO2 Z1198161423 [0,0,1,1,0,0|2,0,0]=4 53 B11R2.36 NC1=CC2=C(C=C1)N=CO2 Z385373514 [0,0,1,1,0,0|1,0,0]=3 54 B11R2.36 NC1=CC2=C(C=CN2)N=C1 Z1198234651 [0,0,1,1,0,0|2,0,0]=4 55 B11R2.36 NC1=CC2=C(C=CO2)C=C1 Z1198313503 [0,0,1,1,0,0|2,0,0]=4 56 B11R2.36 NC1=CC2=C(C=CS2)N=C1 Z3068510136 [0,0,1,1,0,0|1,1,0]=4 57 B11R2.36 NC1=CC2=C(N=C1)N=NN2 Z5533927053 [0,0,1,1,0,0|2,0,0]=4 58 B11R2.36 NC1=CC2=C(N=C1)NC=C2 Z1198169609 [0,0,1,1,0,0|1,0,1]=4 59 B11R2.36 NC1=CC2=C(N=C1)NC=N2 Z1198182829 [0,0,1,1,0,0|1,0,1]=4 60 B11R2.36 NC1=CN2C=CN=C2N=C1 Z2681277208 [0,0,1,1,0,0|2,0,0]=4 61 B11R2.10 CC1=CC2=C(N1)C=NC=C2 Z1198174139 [1,0,0,0,0,1|1,0,1]=4 62 B11R2.10 CC1=CC2=C(N1)C=NC=N2 Z1255417566 [1,0,0,0,0,1|1,0,1]=4 63 B11R2.10 CC1=CC2=C(N1)N=CC=C2 Z1198180660 [1,0,0,0,0,1|1,0,1]=4 64 B10R1.31 O=CC1=CC=C(N1)C(=O)O Z1198223703 [1,1,1,0,0,0|1,0,0]=4 65 B10R2.7 C1=CC2=C(C=CO2)N=C1 Z2831987589 [1,0,1,1,0,0|1,0,0]=4 66 B12R2.1081 NC1=C2C=CC=NC2=NC=N1 Z1198236222 [0,0,1,1,0,1|1,0,0]=4 67 B8R1.7 N=C(N)C1=CC=CO1 Z823287458 [1,0,1,0,1,0|1,0,0]=4 68 B8R1.7 N=C(N)C1=CN=CS1 Z1889917212 [1,0,1,0,1,0|0,1,0]=4 69 B8R1.7 N=C(N)C1=COC=N1 Z4764577160 [1,0,1,0,1,0|1,0,0]=4 70 B8R1.7 NC(=O)C1=CN=CO1 Z1198164353 [1,0,1,0,1,0|1,0,0]=4 71 B8R1.2 O=CC1=CN=CC=C1 Z104472124 [0,0,1,0,2,0|1,0,0]=4