0 B11R2.191 O=CC1=CN=C2N1C=CS2 Z1255396944 [0,0,0,0,0,0|2,0,1]=3 1 B11R2.191 OCC1=CN=C2N1C=CS2 Z1255388625 [0,0,0,0,0,0|2,0,1]=3 2 B11R2.191 OCC1=NN=C2N1CCC2 Z1255393689 [0,0,0,0,0,0|0,0,4]=4 3 B10R2.32 CC1=NC=C2N1C=CS2 Z1216850828 [1,0,0,0,0,0|2,0,1]=4 4 B10R2.32 NC1=NC=C2N1C=CS2 Z1416158930 [1,0,0,0,0,0|3,0,0]=4 5 B10R2.32 SC1=NC=C2N1C=CS2 Z4301849532 [1,0,0,0,0,0|2,1,0]=4 6 B10R2.32 SC1=NN=C2N1N=CN2 Z1203749336 [1,0,0,0,0,0|2,1,0]=4 7 B12R2.72 CC1=C(N2C=CSC2=N1)C=O Z56792052 [0,1,0,0,0,0|2,0,1]=4 8 B12R2.72 CC1=C(N2C=CSC2=N1)CO Z445987540 [0,1,0,0,0,0|2,0,1]=4 9 B12R2.72 O=CC1=C(N=C2N1C=CS2)Cl Z56792049 [0,1,0,0,0,0|2,0,1]=4 10 B12R2.72 OCC1=C(N=C2N1C=CS2)Cl Z56855637 [0,1,0,0,0,0|2,0,1]=4 11 B12R2.375 O=CC1=CN=C2N1C=C(S2)Br Z2511812239 [0,1,0,0,0,0|2,0,1]=4 12 B12R2.1362 CC(=O)C1=CN=C2N1C=CS2 Z1416161970 [0,1,0,0,0,0|2,0,1]=4 13 B12R2.1362 O=C(O)C1=CSC2=CN=CN12 Z1171979415 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.1362 O=C(O)C1=CSC2=NC=CN12 Z1416159433 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.1 ClCC1=CN=C2N1C=CC=C2 Z57033916 [0,0,0,0,0,1|2,0,1]=4 16 B12R2.1 N#CC1=CN=C2N1C=CC=C2 Z1198158121 [0,0,0,0,0,1|2,0,1]=4 17 B12R2.1 N#CC1=CN=C2N1C=CN=C2 Z1255440128 [0,0,0,0,0,1|2,0,1]=4 18 B12R2.1 NCC1=CN=C2N1C=CC=C2 Z3234882063 [0,0,0,0,0,1|2,0,1]=4 19 B12R2.1 NCC1=NC=C2N1C=CC=C2 Z2310702523 [0,0,0,0,0,1|2,0,1]=4 20 B12R2.1 NCC1=NN=C2N1C=CC=C2 Z57985996 [0,0,0,0,0,1|1,0,1]=3 21 B12R2.1 NCC1=NN=C2N1N=CC=C2 Z4658853299 [0,0,0,0,0,1|1,0,1]=3 22 B12R2.1 O=CC1=C2C=CC=CC2=NS1 Z1504687602 [0,0,0,0,0,1|2,0,1]=4 23 B12R2.1 O=CC1=C2C=CC=CN2N=N1 Z1416158255 [0,0,0,0,0,1|2,0,1]=4 24 B12R2.1 O=CC1=CN=C2N1C=CC=C2 Z727564760 [0,0,0,0,0,1|1,0,1]=3 25 B12R2.1 O=CC1=CN=C2N1C=CC=N2 Z1079126304 [0,0,0,0,0,1|1,0,1]=3 26 B12R2.1 O=CC1=CN=C2N1C=CN=C2 Z1198182560 [0,0,0,0,0,1|1,0,1]=3 27 B12R2.1 O=CC1=NC=C2N1C=CC=C2 Z1162448252 [0,0,0,0,0,1|1,0,1]=3 28 B12R2.1 O=CC1=NNC2=C1C=CC=C2 Z1065726010 [0,0,0,0,0,1|1,0,2]=4 29 B12R2.1 OCC1=CN=C2N1C=CC=C2 Z1198235297 [0,0,0,0,0,1|1,0,1]=3 30 B12R2.44 O=CC1=CN2N=CC=C2N=C1 Z982129328 [0,0,0,0,0,1|2,0,1]=4 31 B9R1.14 C=CN1C=CN=C1C=O Z1255489858 [1,0,1,0,0,0|1,0,1]=4 32 B9R1.14 C=CN1C=CN=C1CO Z425960776 [1,0,1,0,0,0|1,0,1]=4 33 B9R1.33 C=CCN1C=NN=C1S Z56926668 [1,0,1,0,0,0|0,1,1]=4 34 B13R2.1 CNCC1=NN=C2N1C=CC=C2 Z234898257 [0,1,0,0,0,1|1,0,1]=4 35 B13R2.1 NCCC1=NN=C2N1C=CC=C2 Z90660992 [0,1,0,0,0,1|1,0,1]=4 36 B13R2.9 CC1=CC=CN2C1=NC=C2C=O Z1198268070 [0,1,0,0,0,1|1,0,1]=4 37 B13R2.9 CCC1=NN=C2N1C=CN=C2Cl Z1198176751 [0,1,0,0,0,1|1,0,1]=4 38 B13R2.9 NCC1=NN=C2N1C=CC=C2Cl Z2587932902 [0,1,0,0,0,1|1,0,1]=4 39 B13R2.9 NCC1=NN=C2N1C=CNC2=O Z2756837705 [0,1,0,0,0,1|1,0,1]=4 40 B13R2.72 CC(=O)C1=CN=C2N1C=CC=C2 Z1255425112 [0,1,0,0,0,1|1,0,1]=4 41 B13R2.72 CC(=O)C1=CN=C2N1C=CC=N2 Z1255498842 [0,1,0,0,0,1|1,0,1]=4 42 B13R2.72 CC(N)C1=NN=C2N1C=CC=N2 Z1695821940 [0,1,0,0,0,1|1,0,1]=4 43 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 Z1201621664 [0,1,0,0,0,1|2,0,0]=4 44 B13R2.72 O=C(O)C1=C2C=CC=CC2=NS1 Z1198233085 [0,1,0,0,0,1|2,0,0]=4 45 B13R2.72 O=C(O)C1=C2C=CC=CN2N=N1 Z1262526874 [0,1,0,0,0,1|2,0,0]=4 46 B13R2.72 O=C(O)C1=CC=C2N1N=CC=C2 Z1238571370 [0,1,0,0,0,1|2,0,0]=4 47 B13R2.72 O=C(O)C1=CN=C2N1C=CC=C2 Z1201621330 [0,1,0,0,0,1|1,0,0]=3 48 B13R2.72 O=C(O)C1=CN=C2N1C=CC=N2 Z1198268370 [0,1,0,0,0,1|1,0,0]=3 49 B13R2.72 O=C(O)C1=CN=C2N1N=CC=C2 Z1238571561 [0,1,0,0,0,1|1,0,0]=3 50 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 Z104497388 [0,1,0,0,0,1|1,0,1]=4 51 B13R2.72 O=C(O)C1=NNC2=C1C=CC=N2 Z1198305721 [0,1,0,0,0,1|1,0,1]=4 52 B13R2.72 O=C(O)C1=NOC2=C1C=CC=N2 Z1813172822 [0,1,0,0,0,1|2,0,0]=4 53 B13R2.72 O=C(O)C1=NSC2=C1C=CC=C2 Z1198157386 [0,1,0,0,0,1|2,0,0]=4 54 B13R2.135 CC1=C(N2C=CC=CC2=N1)C=O Z56792097 [0,1,0,0,0,1|1,0,1]=4 55 B13R2.135 O=CC1=C(N=C2N1C=CC=C2)Cl Z56792098 [0,1,0,0,0,1|1,0,1]=4 56 B13R2.135 OCC1=C(N=C2N1C=CC=C2)Cl Z119989066 [0,1,0,0,0,1|1,0,1]=4 57 B13R2.662 CC1=CC2=NC=C(N2C=C1)C=O Z1198268066 [0,1,0,0,0,1|1,0,1]=4 58 B13R2.662 CCC1=NN=C2N1C=NC(=C2)Cl Z381425944 [0,1,0,0,0,1|1,0,1]=4 59 B13R2.662 O=CC1=CN=C2N1C=CC(=C2)Br Z1269144894 [0,1,0,0,0,1|1,0,1]=4 60 B13R2.662 OCC1=NN=C2N1C=NC(=C2)Cl Z600620442 [0,1,0,0,0,1|0,0,1]=3 61 B13R2.2091 CC1=CC=CC2=NC=C(N12)C=O Z1198309998 [0,1,0,0,0,1|1,0,1]=4 62 B13R2.2136 CC1=CN2C(=CN=C2C=C1)C=O Z1198268063 [0,1,0,0,0,1|1,0,1]=4 63 B13R2.2136 CC1=CN2C(=NN=C2CN)C=C1 Z2239078039 [0,1,0,0,0,1|1,0,1]=4 64 B13R2.2136 CC1=NN2C(=NN=C2CN)C=C1 Z916970540 [0,1,0,0,0,1|1,0,1]=4 65 B13R2.2136 CCC1=NN=C2N1N=C(C=C2)Cl Z381425568 [0,1,0,0,0,1|1,0,1]=4 66 B13R2.2136 ClCC1=NN=C2N1N=C(C=C2)Cl Z1508682401 [0,1,0,0,0,1|1,0,1]=4 67 B13R2.2136 NCC1=NN=C2N1C=C(C=C2)Cl Z2592770094 [0,1,0,0,0,1|1,0,1]=4 68 B13R2.2136 O=CC1=CN=C2N1C=C(C=C2)Br Z1217215079 [0,1,0,0,0,1|1,0,1]=4 69 B13R2.2136 O=CC1=CN=C2N1C=C(C=C2)Cl Z1198261554 [0,1,0,0,0,1|1,0,1]=4 70 B13R2.2136 OCC1=CN=C2N1N=C(C=C2)Cl Z1255441334 [0,1,0,0,0,1|1,0,1]=4 71 B13R2.2136 OCC1=NN=C2N1N=C(C=C2)Cl Z600620440 [0,1,0,0,0,1|0,0,1]=3 72 B13R2.2931 O=CC1=NC(=C2N1C=CC=C2)Br Z2511802814 [0,1,0,0,0,1|1,0,1]=4 73 B13R2.430 O=C(O)C1=CN2C=CN=C2N=C1 Z1198278439 [0,1,0,0,0,1|2,0,0]=4 74 B13R2.5569 O=C(O)C1=C2C=CNC2=NC=N1 Z1255440248 [0,1,0,0,0,1|2,0,0]=4 75 B13R2.5569 O=C(O)C1=C2C=CSC2=NC=N1 Z2417415974 [0,1,0,0,0,1|2,0,0]=4 76 B13R2.5569 O=C(O)C1=C2SC=CC2=NC=N1 Z1255367577 [0,1,0,0,0,1|2,0,0]=4 77 B13R2.5569 O=C(O)C1=CC=NC2=CC=NN12 Z1416187628 [0,1,0,0,0,1|2,0,0]=4 78 B13R2.355 CC1=C(N2C=CSC2=N1)C(=O)O Z2683702574 [0,2,0,0,0,0|2,0,0]=4 79 B13R2.355 O=C(O)C1=C(N=C2N1C=CS2)Cl Z56822381 [0,2,0,0,0,0|2,0,0]=4 80 B13R2.3335 C=C1CN2C(=NN=C2C(=O)O)S1 Z3681810428 [0,2,0,0,0,0|1,0,1]=4 81 B11R2.36 BrC1=CN2C=NN=C2C=C1 Z1201624738 [0,0,1,1,0,0|2,0,0]=4 82 B11R2.36 NC1=CN2C=NN=C2C=C1 Z992419190 [0,0,1,1,0,0|2,0,0]=4 83 B11R2.36 OC1=CN2C=NN=C2C=C1 Z1813109429 [0,0,1,1,0,0|2,0,0]=4 84 B11R2.106 BrC1=CC=CN2C1=CN=C2 Z1255402010 [0,0,1,1,0,0|2,0,0]=4 85 B11R2.106 BrC1=CC=CN2C1=NN=C2 Z1255395495 [0,0,1,1,0,0|1,0,0]=3 86 B11R2.106 BrC1=NC=CN2C1=NN=C2 Z1224472623 [0,0,1,1,0,0|2,0,0]=4 87 B11R2.106 ClC1=NC=CN2C1=NN=C2 Z1198176749 [0,0,1,1,0,0|2,0,0]=4 88 B11R2.106 NC1=CC=CN2C1=NC=C2 Z3235023303 [0,0,1,1,0,0|2,0,0]=4 89 B11R2.106 NC1=CC=CN2C1=NN=C2 Z4943330910 [0,0,1,1,0,0|1,0,0]=3 90 B11R2.106 OC1=C2ON=CC2=CC=C1 Z1198182558 [0,0,1,1,0,0|2,0,0]=4 91 B11R2.106 OC1=CC=CC2=CNN=C12 Z1262398563 [0,0,1,1,0,0|1,0,1]=4 92 B11R2.106 OC1=CC=CN2C1=NC=C2 Z1201623531 [0,0,1,1,0,0|1,0,0]=3 93 B11R2.2 C1=CN(C=C1)C2=CNN=C2 Z431547710 [0,0,1,1,0,0|2,0,0]=4 94 B11R2.1 NC1=NN=C2N1C=CC=C2 Z362020366 [0,0,1,1,0,0|2,0,0]=4 95 B11R2.1 NC1=NN=C2N1C=CN=C2 Z1198314968 [0,0,1,1,0,0|2,0,0]=4 96 B11R2.1 SC1=NN=C2N1C=CC=C2 Z56767793 [0,0,1,1,0,0|2,0,0]=4 97 B13R2.57 OCC1=NC2=C(C=CC=C2)N=N1 Z1938920999 [0,0,0,0,0,2|1,0,1]=4 98 B10R1.66 O=C(O)/C=C/C1=CC=CN1 Z1198166880 [1,1,1,0,0,0|1,0,0]=4 99 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)N=N1 Z1198311707 [0,1,0,0,0,2|1,0,0]=4 100 B14R2.781 O=C(O)C1=NN=C2C=CC=CC2=C1 Z246671302 [0,1,0,0,0,2|1,0,0]=4 101 B14R2.31359 O=C(O)C1=C2C=CC=CC2=NN=C1 Z1255485334 [0,1,0,0,0,2|1,0,0]=4 102 B14R2.2 O=C(O)CC1=CN=C2N1C=CC=N2 Z4579553371 [0,2,0,0,0,1|1,0,0]=4 103 B14R2.2 O=C(O)CC1=CN=C2N1N=CC=C2 Z4511427996 [0,2,0,0,0,1|1,0,0]=4 104 B14R2.8032 CC1=CC=CN2C1=NC=C2C(=O)O Z3691016324 [0,2,0,0,0,1|1,0,0]=4 105 B14R2.8032 O=C(O)C1=CN=C2N1C=CC=C2Br Z1269128095 [0,2,0,0,0,1|1,0,0]=4 106 B14R2.300 CC1=CC2=NC=C(N2C=C1)C(=O)O Z1198158126 [0,2,0,0,0,1|1,0,0]=4 107 B14R2.300 O=C(O)C1=CN=C2N1C=CC(=C2)Br Z1269179880 [0,2,0,0,0,1|1,0,0]=4 108 B14R2.642 CC1=C(N2N=CC=CC2=N1)C(=O)O Z1869801252 [0,2,0,0,0,1|1,0,0]=4 109 B14R2.642 O=C(O)C1=C(N=C2N1C=CC=C2)Cl Z56843575 [0,2,0,0,0,1|1,0,0]=4 110 B14R2.5816 CC1=CN2C(=CN=C2C=C1)C(=O)O Z1198268371 [0,2,0,0,0,1|1,0,0]=4 111 B10R2.7 C1=CN2C=NN=C2C=N1 Z1182328459 [1,0,1,1,0,0|1,0,0]=4 112 B8R1.2 C=CC1=NC=CC=C1 Z104495554 [0,0,1,0,2,0|1,0,0]=4 113 B8R1.2 O=CC1=NC=CC=C1 Z104472152 [0,0,1,0,2,0|0,0,1]=4 114 B8R1.2 O=CC1=NN=CC=C1 Z1198165301 [0,0,1,0,2,0|0,0,1]=4 115 B8R1.2 OCC1=NC=CC=C1 Z57921252 [0,0,1,0,2,0|0,0,1]=4