0 B12R2.252 CC(=O)C1=CC2=C(S1)C=CS2 Z1416174195 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.252 NC(=O)C1=CC2=C(N1)C=CS2 Z1255450918 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.252 NC(=O)C1=CC2=C(N1)N=CS2 Z2313100386 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.252 O=C(O)C1=CC2=C(N1)C=CO2 Z1198172211 [0,0,0,0,0,0|1,1,0]=2 4 B12R2.252 O=C(O)C1=CC2=C(N1)C=CS2 Z1162419603 [0,0,0,0,0,0|1,0,0]=1 5 B12R2.252 O=C(O)C1=CC2=C(N1)CCC2 Z1262527735 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.252 O=C(O)C1=CC2=C(N1)N=CS2 Z1198322180 [0,0,0,0,0,0|0,0,0]=0 7 B12R2.252 O=C(O)C1=CC2=C(N1)SC=C2 Z235000792 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.252 O=C(O)C1=CC2=C(S1)C=CN2 Z235352827 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.252 O=C(O)C1=CC2=C(S1)C=CO2 Z1227757230 [0,0,0,0,0,0|2,1,0]=3 10 B12R2.252 O=C(O)C1=CC2=C(S1)C=CS2 Z666140572 [0,0,0,0,0,0|2,0,0]=2 11 B12R2.252 O=C(O)C1=CC2=C(S1)CCC2 Z56822380 [0,0,0,0,0,0|3,0,1]=4 12 B12R2.252 O=C(O)C1=CC2=C(S1)NN=C2 Z1416165977 [0,0,0,0,0,0|3,0,1]=4 13 B12R2.252 O=C(O)C1=CC2=C(S1)SC=C2 Z1198150636 [0,0,0,0,0,0|3,0,0]=3 14 B12R2.252 O=C(O)C1=CN2C=CN=C2S1 Z3888386168 [0,0,0,0,0,0|3,0,0]=3 15 B12R2.252 O=C(O)C1CC2=C(S1)SN=N2 Z5177585233 [0,0,0,0,0,0|3,0,1]=4 16 B11R2.15 O=CC1=CC2=C(N1)C=CS2 Z3243061496 [1,0,0,0,0,0|1,0,0]=2 17 B11R2.15 O=CC1=CC2=C(S1)C=CO2 Z2732463073 [1,0,0,0,0,0|2,1,0]=4 18 B11R2.15 O=CC1=CC2=C(S1)C=CS2 Z1255361000 [1,0,0,0,0,0|2,0,0]=3 19 B11R2.15 O=CC1=CN2C=CN=C2S1 Z1255451728 [1,0,0,0,0,0|3,0,0]=4 20 B11R2.15 OCC1=CC2=C(S1)C=CS2 Z1198175580 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.400 CC1=CC2=C(O1)C=C(N2)C(=O)O Z1198173265 [0,1,0,0,0,0|1,1,0]=3 22 B13R2.400 CC1=CC2=C(S1)C=C(N2)C(=O)O Z1198177106 [0,1,0,0,0,0|1,0,0]=2 23 B13R2.400 CC1=CN2C=C(SC2=N1)C(=O)O Z1460906818 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.400 CC1=NC2=C(S1)C=C(N2)C(=O)O Z1258976882 [0,1,0,0,0,0|0,0,0]=1 25 B13R2.400 CC1=NN2C=C(N=C2S1)C(=O)O Z1198219559 [0,1,0,0,0,0|3,0,0]=4 26 B13R2.400 O=C(O)C1=CC2=C(N1)C=C(S2)Br Z1269226703 [0,1,0,0,0,0|1,0,0]=2 27 B13R2.400 O=C(O)C1=CC2=C(N1)C=C(S2)Cl Z1269127511 [0,1,0,0,0,0|1,0,0]=2 28 B13R2.400 O=C(O)C1=CC2=C(N1)C=C(S2)F Z1258976837 [0,1,0,0,0,0|1,0,0]=2 29 B13R2.400 O=C(O)C1=CC2=C(N1)SC(=C2)Cl Z1508918230 [0,1,0,0,0,0|2,0,0]=3 30 B13R2.400 O=C(O)C1=CC2=C(S1)C=C(O2)Br Z4444280418 [0,1,0,0,0,0|2,1,0]=4 31 B13R2.400 O=C(O)C1=CC2=C(S1)C=C(S2)Br Z596750996 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.400 O=C(O)C1=CC2=C(S1)C=C(S2)Cl Z1508959946 [0,1,0,0,0,0|2,0,0]=3 33 B13R2.400 O=C(O)C1=CC2=C(S1)SC(=C2)Br Z3179200262 [0,1,0,0,0,0|3,0,0]=4 34 B13R2.531 COC(=O)C1=CC2=C(N1)C=CO2 Z1201623837 [0,1,0,0,0,0|1,1,0]=3 35 B13R2.531 COC(=O)C1=CC2=C(N1)N=CS2 Z1509341014 [0,1,0,0,0,0|0,0,0]=1 36 B13R2.531 COC(=O)C1=CC2=C(N1)SC=C2 Z379605922 [0,1,0,0,0,0|2,0,0]=3 37 B13R2.531 COC(=O)C1=CC2=C(S1)C=CN2 Z335829208 [0,1,0,0,0,0|3,0,0]=4 38 B13R2.2334 CC1=C(SC2=C1SC=C2)C(=O)O Z381404102 [0,1,0,0,0,0|2,0,0]=3 39 B13R2.2334 CC1=C(SC2=NC=CN12)C(=O)O Z1255400113 [0,1,0,0,0,0|3,0,0]=4 40 B13R2.2334 CN1C(=CC2=C1C=CO2)C(=O)O Z1201624163 [0,1,0,0,0,0|1,1,0]=3 41 B13R2.2334 CN1C(=CC2=C1C=CS2)C(=O)O Z1201622984 [0,1,0,0,0,0|1,0,0]=2 42 B13R2.2334 O=C(O)C1=C(C2=C(S1)SC=C2)Cl Z90122135 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.3678 CC1=CSC2=C1NC(=C2)C(=O)O Z1258976897 [0,1,0,0,0,0|1,0,0]=2 44 B13R2.3678 CN1C=CC2=C1C=C(N2)C(=O)O Z1255401555 [0,1,0,0,0,0|2,0,0]=3 45 B13R2.3678 CN1C=CC2=C1C=C(S2)C(=O)O Z1416161385 [0,1,0,0,0,0|3,0,0]=4 46 B13R2.3678 CN1C=NC2=C1C=C(N2)C(=O)O Z1258976896 [0,1,0,0,0,0|1,0,0]=2 47 B13R2.3678 O=C(O)C1=CC2=C(N1)C(=CO2)Br Z1269239471 [0,1,0,0,0,0|1,1,0]=3 48 B13R2.3678 O=C(O)C1=CC2=C(N1)C(=CS2)Br Z1269132447 [0,1,0,0,0,0|1,0,0]=2 49 B13R2.3678 O=C(O)C1=CC2=C(N1)C(=CS2)Cl Z1416179551 [0,1,0,0,0,0|1,0,0]=2 50 B13R2.3678 O=C(O)C1=CC2=C(S1)C(=CS2)Br Z1322794657 [0,1,0,0,0,0|2,0,0]=3 51 B13R2.3678 O=C(O)C1=CN2C(=CN=C2S1)Br Z1492514269 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.35 C/C(=C\C1=CC=CO1)/C(=O)O Z2492774531 [0,0,1,0,0,0|2,1,0]=4 53 B11R1.35 C/C(=C\C1=CC=CS1)/C(=O)O Z1198150490 [0,0,1,0,0,0|2,0,0]=3 54 B11R1.35 C/C(=C\C1=CNC=N1)/C(=O)O Z3059076840 [0,0,1,0,0,0|2,0,1]=4 55 B11R1.35 NC(CC1=CN=CS1)C(=O)O Z2753010848 [0,0,1,0,0,0|0,0,2]=3 56 B11R1.35 NC(CC1=CSC=N1)C(=O)O Z3355847058 [0,0,1,0,0,0|2,0,1]=4 57 B11R1.35 O=C(O)/C(=C\C1=CN=CN1)/F Z3211706104 [0,0,1,0,0,0|2,0,0]=3 58 B11R1.35 O=C(O)C(=O)CC1=CC=CS1 Z271004562 [0,0,1,0,0,0|2,0,1]=4 59 B11R1.48 CC1=C(NC(=C1)C(=O)O)C#N Z2732459248 [0,0,1,0,0,0|3,0,0]=4 60 B11R1.48 CSC1=C(OC(=C1)C(=O)O)C Z1192103311 [0,0,1,0,0,0|2,0,1]=4 61 B11R1.90 CC1=C(SC=C1)/C=C/C(=O)O Z2942851704 [0,0,1,0,0,0|2,0,0]=3 62 B11R1.90 CC1=C(SC=N1)/C=C/C(=O)O Z2607864646 [0,0,1,0,0,0|1,0,0]=2 63 B11R1.90 CC1=C(SC=N1)CCC(=O)O Z1198166208 [0,0,1,0,0,0|1,0,2]=4 64 B11R1.90 CN1N=CC=C1/C=C/C(=O)O Z2942852065 [0,0,1,0,0,0|3,0,0]=4 65 B11R1.124 CCCC1=CC=C(N1)C(=O)O Z1504677549 [0,0,1,0,0,0|2,0,1]=4 66 B13R2.430 CC(=O)C1=CC2=C(C=C1)N=CS2 Z1255416847 [0,0,0,0,0,1|2,0,0]=3 67 B13R2.430 CC(=O)C1=CC2=C(C=C1)NC=N2 Z382822478 [0,0,0,0,0,1|3,0,0]=4 68 B13R2.430 CC(=O)C1=CC2=C(C=CS2)N=C1 Z1238541316 [0,0,0,0,0,1|2,0,1]=4 69 B13R2.430 NC(=O)C1=CC2=C(C=C1)N=CO2 Z1082678580 [0,0,0,0,0,1|2,1,0]=4 70 B13R2.430 NC(=O)C1=CC2=C(C=C1)N=CS2 Z33546392 [0,0,0,0,0,1|2,0,0]=3 71 B13R2.430 NC(=O)C1=CC2=C(C=C1)NC=N2 Z33546770 [0,0,0,0,0,1|3,0,0]=4 72 B13R2.430 NC(=O)C1=CC2=C(C=C1)SC=N2 Z1255366065 [0,0,0,0,0,1|2,0,0]=3 73 B13R2.430 NC(=O)C1=CC2=C(C=CS2)N=C1 Z1258977851 [0,0,0,0,0,1|2,0,1]=4 74 B13R2.430 NC(=O)C1=CC2=C(N=C1)SC=C2 Z1258977852 [0,0,0,0,0,1|3,0,0]=4 75 B13R2.430 O=C(O)C1=CC2=C(C=C1)C=NS2 Z1258976720 [0,0,0,0,0,1|3,0,0]=4 76 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=NN2 Z1718361949 [0,0,0,0,0,1|3,0,0]=4 77 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 Z1118536235 [0,0,0,0,0,1|2,0,1]=4 78 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=N2 Z56922116 [0,0,0,0,0,1|2,0,0]=3 79 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 Z1201620762 [0,0,0,0,0,1|2,1,0]=4 80 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 Z1198266513 [0,0,0,0,0,1|1,1,0]=3 81 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 Z1198165376 [0,0,0,0,0,1|2,0,0]=3 82 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=N2 Z1203159514 [0,0,0,0,0,1|1,0,0]=2 83 B13R2.430 O=C(O)C1=CC2=C(C=C1)SN=C2 Z1255464724 [0,0,0,0,0,1|3,0,0]=4 84 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 Z385481296 [0,0,0,0,0,1|2,0,1]=4 85 B13R2.430 O=C(O)C1=CC2=C(C=CN2)N=C1 Z1198224520 [0,0,0,0,0,1|2,0,1]=4 86 B13R2.430 O=C(O)C1=CC2=C(C=CO2)N=C1 Z1201627083 [0,0,0,0,0,1|1,1,1]=4 87 B13R2.430 O=C(O)C1=CC2=C(C=CS2)C=C1 Z1198183978 [0,0,0,0,0,1|2,0,0]=3 88 B13R2.430 O=C(O)C1=CC2=C(N=C1)NN=N2 Z1255386462 [0,0,0,0,0,1|3,0,0]=4 89 B13R2.430 O=C(O)C1=CC2=C(N=C1)OC=C2 Z1198237740 [0,0,0,0,0,1|2,0,1]=4 90 B13R2.430 O=C(O)C1=CC2=C(N=C1)SC=C2 Z1258977853 [0,0,0,0,0,1|2,0,0]=3 91 B13R2.430 O=C(O)C1=CC2=C(N=C1)SC=N2 Z1255398395 [0,0,0,0,0,1|1,0,0]=2 92 B13R2.430 O=C(O)C1=CC2=C(N=CO2)N=C1 Z3243061666 [0,0,0,0,0,1|0,1,1]=3 93 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 Z1255424907 [0,0,0,0,0,1|3,0,0]=4 94 B13R2.430 O=C(O)C1=CC2=CC=NN2C=N1 Z2911787450 [0,0,0,0,0,1|2,0,1]=4 95 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 Z1198266504 [0,0,0,0,0,1|3,0,0]=4 96 B13R2.430 O=C(O)C1=CC2=NC=NN2C=C1 Z1255358974 [0,0,0,0,0,1|3,0,0]=4 97 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 Z1255372852 [0,0,0,0,0,1|3,0,0]=4 98 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 Z825455558 [0,0,0,0,0,1|3,0,0]=4 99 B13R2.430 O=C(O)C1=CN2C=CN=C2N=C1 Z1198278439 [0,0,0,0,0,1|2,0,1]=4 100 B13R2.430 O=C(O)C1=CN2N=CC=C2C=C1 Z1255436171 [0,0,0,0,0,1|3,0,0]=4 101 B13R2.430 O=C(O)C1=CN2N=CN=C2C=C1 Z1255400371 [0,0,0,0,0,1|3,0,0]=4 102 B13R2.430 O=C(O)C1=CNC2=NC=CC2=C1 Z2238508556 [0,0,0,0,0,1|1,0,0]=2 103 B13R2.430 O=C(O)C1=CNC2=NC=NC2=C1 Z1539988083 [0,0,0,0,0,1|1,0,0]=2 104 B13R2.430 O=C(O)C1=NC2=C(C=C1)NC=C2 Z1198266778 [0,0,0,0,0,1|2,0,1]=4 105 B13R2.430 O=C(O)C1=NC2=C(C=C1)NC=N2 Z2737790480 [0,0,0,0,0,1|1,0,1]=3 106 B13R2.430 O=C(O)C1=NC2=C(C=C1)NN=N2 Z1255357438 [0,0,0,0,0,1|2,0,1]=4 107 B13R2.430 O=C(O)C1=NC2=C(C=C1)OC=C2 Z1255440192 [0,0,0,0,0,1|1,1,1]=4 108 B13R2.430 O=C(O)C1=NC2=C(C=C1)OC=N2 Z1551949931 [0,0,0,0,0,1|0,1,1]=3 109 B13R2.430 O=C(O)C1=NC2=C(C=CN2)C=C1 Z1198176780 [0,0,0,0,0,1|1,0,2]=4 110 B13R2.430 O=C(O)C1=NC2=C(N=C1)NC=C2 Z2732482099 [0,0,0,0,0,1|2,0,1]=4 111 B13R2.430 O=C(O)C1=NC2=NC=CN2C=C1 Z3407718304 [0,0,0,0,0,1|2,0,1]=4 112 B13R2.430 O=C(O)C1=NC=C2C=CSC2=C1 Z810507714 [0,0,0,0,0,1|1,0,1]=3 113 B13R2.430 O=C(O)C1=NC=C2NC=NC2=C1 Z3331398571 [0,0,0,0,0,1|2,0,0]=3 114 B13R2.430 O=C(O)C1CC2=C(CN1)N=CN2 Z1276751384 [0,0,0,0,0,1|1,0,2]=4 115 B13R2.430 O=C(O)C1CCC2=C(C1)N=CS2 Z1262557004 [0,0,0,0,0,1|1,0,2]=4 116 B13R2.430 O=C(O)C1CCC2=C(C1)SC=N2 Z2732585820 [0,0,0,0,0,1|1,0,2]=4 117 B13R2.435 CC(=O)C1=CC2=C(N1)C=CC=C2 Z1198159037 [0,0,0,0,0,1|3,0,0]=4 118 B13R2.435 NC(=O)C1=CC2=C(N1)C=CC=C2 Z101185700 [0,0,0,0,0,1|3,0,0]=4 119 B13R2.435 O=C(O)C1=CC2=C(C1)C=CC=C2 Z1255423596 [0,0,0,0,0,1|3,0,0]=4 120 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=C2 Z56347139 [0,0,0,0,0,1|2,0,0]=3 121 B13R2.435 O=C(O)C1=CC2=C(N1)C=CC=N2 Z1198266663 [0,0,0,0,0,1|2,0,0]=3 122 B13R2.435 O=C(O)C1=CC2=C(N1)C=NC=C2 Z1198323516 [0,0,0,0,0,1|1,0,0]=2 123 B13R2.435 O=C(O)C1=CC2=C(N1)CCCC2 Z1166114418 [0,0,0,0,0,1|2,0,1]=4 124 B13R2.435 O=C(O)C1=CC2=C(N1)CCOC2 Z1416171989 [0,0,0,0,0,1|1,1,1]=4 125 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=C2 Z56839706 [0,0,0,0,0,1|3,0,0]=4 126 B13R2.435 O=C(O)C1=CC2=C(O1)C=CC=N2 Z2670715454 [0,0,0,0,0,1|3,0,0]=4 127 B13R2.435 O=C(O)C1=CC2=C(O1)C=CN=C2 Z1255443420 [0,0,0,0,0,1|3,0,0]=4 128 B13R2.435 O=C(O)C1=CC2=C(S1)C=CC=C2 Z89265777 [0,0,0,0,0,1|3,0,0]=4 129 B13R2.435 O=C(O)C1=CC2=C(S1)C=NC=C2 Z1255380800 [0,0,0,0,0,1|2,0,0]=3 130 B13R2.435 O=C(O)C1=CC2=C(S1)CCSC2 Z826531572 [0,0,0,0,0,1|2,0,1]=4 131 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 Z367448406 [0,0,0,0,0,1|2,0,1]=4 132 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 Z1262529348 [0,0,0,0,0,1|3,0,0]=4 133 B13R2.435 O=C(O)C1=NC2=C(N1)C=CC=C2 Z274592454 [0,0,0,0,0,1|3,0,0]=4 134 B13R2.435 O=C(O)C1=NN2N=CC=CC2=C1 Z1255445693 [0,0,0,0,0,1|2,0,1]=4 135 B10R1.66 O=C(O)/C=C/C1=CC=CN1 Z1198166880 [1,0,1,0,0,0|2,0,0]=4 136 B10R1.66 O=C(O)/C=C/C1=CC=CO1 Z2311574202 [1,0,1,0,0,0|1,1,0]=4 137 B10R1.66 O=C(O)/C=C/C1=CC=CS1 Z56855126 [1,0,1,0,0,0|1,0,0]=3 138 B10R1.66 O=C(O)/C=C/C1=CN=CS1 Z1198166918 [1,0,1,0,0,0|0,0,0]=2 139 B10R1.66 O=C(O)/C=C/C1=CNC=C1 Z1203733427 [1,0,1,0,0,0|1,0,1]=4 140 B10R1.66 O=C(O)/C=C/C1=CNC=N1 Z2942853595 [1,0,1,0,0,0|1,0,1]=4 141 B10R1.66 O=C(O)/C=C/C1=CNN=C1 Z2670716109 [1,0,1,0,0,0|2,0,0]=4 142 B10R1.66 O=C(O)/C=C/C1=COC=N1 Z2633786305 [1,0,1,0,0,0|1,1,0]=4 143 B10R1.66 O=C(O)/C=C/C1=CSC=C1 Z2417572197 [1,0,1,0,0,0|2,0,0]=4 144 B10R1.66 O=C(O)/C=C/C1=CSC=N1 Z381407308 [1,0,1,0,0,0|1,0,0]=3 145 B10R1.66 O=C(O)/C=C/C1=NC=CS1 Z381407314 [1,0,1,0,0,0|2,0,0]=4 146 B10R1.66 O=C(O)CCC1=CSC=N1 Z381407422 [1,0,1,0,0,0|1,0,1]=4 147 B10R1.31 CCC1=CC=C(N1)C(=O)O Z1416166268 [1,0,1,0,0,0|1,0,1]=4 148 B10R1.31 CCC1=CNC(=C1)C(=O)O Z3243445142 [1,0,1,0,0,0|1,0,1]=4 149 B10R1.31 N#CC1=CC=C(N1)C(=O)O Z1205656493 [1,0,1,0,0,0|1,0,1]=4 150 B10R1.31 N#CC1=CNC(=C1)C(=O)O Z1198267221 [1,0,1,0,0,0|0,0,2]=4 151 B10R1.31 O=CC1=CC=C(N1)C(=O)O Z1198223703 [1,0,1,0,0,0|0,1,0]=3 152 B10R1.31 O=CC1=CC=C(O1)C(=O)O Z1201617369 [1,0,1,0,0,0|1,1,0]=4 153 B10R1.31 O=CC1=CC=C(S1)C(=O)O Z1201619678 [1,0,1,0,0,0|1,1,0]=4 154 B10R1.31 O=CC1=CNC(=C1)C(=O)O Z1190318813 [1,0,1,0,0,0|1,0,0]=3 155 B10R1.31 O=CC1=CSC(=C1)C(=O)O Z1262525684 [1,0,1,0,0,0|2,0,0]=4 156 B10R1.58 CC1=C(NC(=C1)C(=O)O)C Z1198334173 [1,0,1,0,0,0|1,0,1]=4 157 B10R1.58 O=C(O)C1=CC(=C(N1)Br)Br Z227972132 [1,0,1,0,0,0|2,0,0]=4 158 B10R1.58 O=C(O)C1=CC(=C(N1)Cl)Br Z419918952 [1,0,1,0,0,0|2,0,0]=4 159 B10R1.58 O=C(O)C1=CC(=C(N1)Cl)Cl Z220588546 [1,0,1,0,0,0|2,0,0]=4 160 B10R1.29 CC1=C(SC=N1)/C=C/CO Z2607875355 [1,0,1,0,0,0|1,0,1]=4 161 B12R2.30 CN1C(=CC2=C1SC=C2)C=O Z1416183263 [1,1,0,0,0,0|2,0,0]=4 162 B12R2.364 CC1=CC2=C(S1)C=C(N2)C=O Z2732489903 [1,1,0,0,0,0|1,0,0]=3 163 B12R2.364 O=CC1=CC2=C(N1)C=C(S2)Cl Z3446635381 [1,1,0,0,0,0|1,0,0]=3 164 B12R2.2040 O=CC1=CC2=C(N1)C(=CS2)Br Z3175386079 [1,1,0,0,0,0|1,0,0]=3 165 B14R2.601 CC(=O)C1=CC2=C(C=C1)N=C(S2)N Z1255372876 [0,1,0,0,0,1|2,0,0]=4 166 B14R2.601 CC1=CC2=C(S1)C=CC(=C2)C(=O)O Z1255363025 [0,1,0,0,0,1|2,0,0]=4 167 B14R2.601 CC1=NC2=C(N1)C=C(C=N2)C(=O)O Z1642389845 [0,1,0,0,0,1|1,0,1]=4 168 B14R2.601 CC1=NC2=C(N1)C=CC(=C2)C(=O)O Z1622825549 [0,1,0,0,0,1|2,0,0]=4 169 B14R2.601 CC1=NC2=C(O1)C=C(C=C2)C(=O)O Z1198175088 [0,1,0,0,0,1|1,1,0]=4 170 B14R2.601 CC1=NC2=C(O1)C=C(C=N2)C(=O)O Z1187934880 [0,1,0,0,0,1|0,1,1]=4 171 B14R2.601 CC1=NC2=C(O1)C=CC(=C2)C(=O)O Z1198224457 [0,1,0,0,0,1|1,1,0]=4 172 B14R2.601 CC1=NC2=C(S1)C=C(C=C2)C(=O)O Z1201624118 [0,1,0,0,0,1|1,0,0]=3 173 B14R2.601 NC1=NC2=C(N1)C=CC(=C2)C(=O)O Z1198163399 [0,1,0,0,0,1|2,0,0]=4 174 B14R2.601 NC1=NC2=C(O1)C=C(C=C2)C(=O)O Z1203897063 [0,1,0,0,0,1|1,1,0]=4 175 B14R2.601 NC1=NC2=C(S1)C=C(C=C2)C(=O)O Z56766111 [0,1,0,0,0,1|1,0,0]=3 176 B14R2.601 NC1=NC2=C(S1)C=C(C=N2)C(=O)O Z1993521576 [0,1,0,0,0,1|0,0,1]=3 177 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(O2)S Z1198187090 [0,1,0,0,0,1|1,1,0]=4 178 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(S2)O Z2582963116 [0,1,0,0,0,1|1,0,0]=3 179 B14R2.601 O=C(O)C1=CC2=C(C=C1)NC(=N2)S Z275237524 [0,1,0,0,0,1|2,0,0]=4 180 B14R2.601 O=C(O)C1=CC2=C(C=C1)OC(=N2)S Z57478902 [0,1,0,0,0,1|1,1,0]=4 181 B14R2.601 O=C1NC2=C(S1)C=CC(=C2)C(=O)O Z1262528069 [0,1,0,0,0,1|1,0,1]=4 182 B14R2.624 NC1=C(C=C2N=CNC2=C1)C(=O)O Z1255393274 [0,1,0,0,0,1|2,0,0]=4 183 B14R2.624 O=C(O)C1=C(C=C2N=CNC2=C1)F Z1551961126 [0,1,0,0,0,1|2,0,0]=4 184 B14R2.624 O=C(O)C1=C(N=C2C=CSC2=C1)Cl Z1322795806 [0,1,0,0,0,1|1,0,1]=4 185 B14R2.966 CNC(=O)C1=CC2=C(C=C1)N=CS2 Z32016296 [0,1,0,0,0,1|2,0,0]=4 186 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=N2 Z336080270 [0,1,0,0,0,1|2,0,0]=4 187 B14R2.966 COC(=O)C1=CC2=C(C=C1)SC=C2 Z1422315618 [0,1,0,0,0,1|2,0,0]=4 188 B14R2.966 COC(=O)C1=CC2=C(N=CN2)N=C1 Z1255440077 [0,1,0,0,0,1|1,0,1]=4 189 B14R2.966 COC(=O)C1=NC2=C(C=C1)SC=C2 Z1551938181 [0,1,0,0,0,1|1,0,1]=4 190 B14R2.3125 O=S(=O)(O)C1=CC2=C(C=C1)N=CS2 Z1269222703 [0,1,0,0,0,1|2,0,0]=4 191 B14R2.5719 CN1C=NC2=C1C=CC(=C2)C(=O)O Z356293884 [0,1,0,0,0,1|2,0,0]=4 192 B14R2.5719 CN1C=NC2=C1N=CC(=C2)C(=O)O Z1201625976 [0,1,0,0,0,1|2,0,0]=4 193 B14R2.5998 O=C(O)C1=C(C2=C(C=C1)NC=N2)F Z2587997827 [0,1,0,0,0,1|2,0,0]=4 194 B14R2.8824 CC1=C2N=CNC2=CC(=C1)C(=O)O Z3244890318 [0,1,0,0,0,1|2,0,0]=4 195 B14R2.8824 CC1=C2SC=CC2=CC(=C1)C(=O)O Z1551923083 [0,1,0,0,0,1|2,0,0]=4 196 B14R2.8824 O=C(O)C1=CC2=C(C=CS2)C(=C1)O Z1222423725 [0,1,0,0,0,1|2,0,0]=4 197 B14R2.8824 O=C(O)C1=CC2=C(NC=N2)C(=C1)Br Z4179642426 [0,1,0,0,0,1|2,0,0]=4 198 B14R2.8824 O=C(O)C1=CC2=C(SC=C2)C(=C1)O Z1262561663 [0,1,0,0,0,1|2,0,0]=4 199 B14R2.24358 CC1=CSC2=C1C=C(C=C2)C(=O)O Z1198158713 [0,1,0,0,0,1|2,0,0]=4 200 B14R2.24358 O=C(O)C1=CNC2=NNC(=O)C2=C1 Z1695906802 [0,1,0,0,0,1|2,0,0]=4 201 B14R2.450 CN1C(=CC2=C1C=CC=C2)C(=O)O Z57204959 [0,1,0,0,0,1|2,0,0]=4 202 B14R2.450 NC1=C(SC2=C1C=CC=N2)C(=O)O Z274771330 [0,1,0,0,0,1|2,0,0]=4 203 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)Br Z56796061 [0,1,0,0,0,1|2,0,0]=4 204 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)Cl Z366436672 [0,1,0,0,0,1|2,0,0]=4 205 B14R2.450 O=C(O)C1=C(C2=C(N1)C=CC=C2)I Z1269193943 [0,1,0,0,0,1|2,0,0]=4 206 B14R2.450 O=C(O)C1=C(C2=C(S1)N=CC=C2)Cl Z1269181488 [0,1,0,0,0,1|2,0,0]=4 207 B14R2.972 COC(=O)C1=CC2=C(N1)C=CC=C2 Z17755623 [0,1,0,0,0,1|2,0,0]=4 208 B14R2.972 COC(=O)C1=CC2=C(N1)C=CN=C2 Z1198342212 [0,1,0,0,0,1|2,0,0]=4 209 B14R2.972 COC(=O)C1=CC2=C(N1)N=CN=C2 Z1255389998 [0,1,0,0,0,1|1,0,0]=3 210 B14R2.972 COC(=O)C1=CC2=C(S1)C=NC=C2 Z1322795864 [0,1,0,0,0,1|2,0,0]=4 211 B14R2.4529 CC1=CC2=C(C=C1)C=C(N2)C(=O)O Z119989628 [0,1,0,0,0,1|2,0,0]=4 212 B14R2.4529 CC1=CC2=C(C=C1)NC(=C2)C(=O)O Z235352033 [0,1,0,0,0,1|2,0,0]=4 213 B14R2.4529 NC1=CC2=C(C=C1)NC(=C2)C(=O)O Z1198179704 [0,1,0,0,0,1|2,0,0]=4 214 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Br Z119989542 [0,1,0,0,0,1|2,0,0]=4 215 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)Cl Z119990438 [0,1,0,0,0,1|2,0,0]=4 216 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)F Z119989546 [0,1,0,0,0,1|2,0,0]=4 217 B14R2.4529 O=C(O)C1=CC2=C(N1)C=C(C=C2)I Z1269156950 [0,1,0,0,0,1|2,0,0]=4 218 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)Br Z285234024 [0,1,0,0,0,1|2,0,0]=4 219 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)Cl Z235363065 [0,1,0,0,0,1|2,0,0]=4 220 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)F Z235348085 [0,1,0,0,0,1|2,0,0]=4 221 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)I Z1269156688 [0,1,0,0,0,1|2,0,0]=4 222 B14R2.4529 O=C(O)C1=CC2=C(N1)C=CC(=C2)O Z2894427530 [0,1,0,0,0,1|2,0,0]=4 223 B14R2.4529 O=C(O)C1=CC2=C(N1)N=CC(=C2)Cl Z1198235615 [0,1,0,0,0,1|1,0,0]=3 224 B14R2.4529 O=C(O)C1=CC2=C(S1)N=C(C=C2)O Z2511836887 [0,1,0,0,0,1|2,0,0]=4 225 B14R2.4529 O=C(O)C1=CC2=C(S1)N=CC(=C2)Br Z1269209487 [0,1,0,0,0,1|2,0,0]=4 226 B14R2.7969 CC1=C2C=C(NC2=CC=C1)C(=O)O Z119989626 [0,1,0,0,0,1|2,0,0]=4 227 B14R2.7969 CC1=C2NC(=CC2=CC=C1)C(=O)O Z285234008 [0,1,0,0,0,1|2,0,0]=4 228 B14R2.7969 CC1=C2NC(=CC2=CC=N1)C(=O)[O-] Z4457875593 [0,1,0,0,0,1|1,0,1]=4 229 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)Br Z431558930 [0,1,0,0,0,1|2,0,0]=4 230 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)F Z285234022 [0,1,0,0,0,1|2,0,0]=4 231 B14R2.7969 O=C(O)C1=CC2=C(N1)C(=CC=C2)O Z1201622528 [0,1,0,0,0,1|2,0,0]=4 232 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2Cl Z119989536 [0,1,0,0,0,1|2,0,0]=4 233 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2F Z119989618 [0,1,0,0,0,1|2,0,0]=4 234 B14R2.7969 O=C(O)C1=CC2=C(N1)C=CC=C2I Z1269151806 [0,1,0,0,0,1|2,0,0]=4 235 B14R2.7969 O=C(O)C1=CC2=C(N1)N=CN=C2Br Z1269188104 [0,1,0,0,0,1|1,0,0]=3 236 B14R2.7969 O=C(O)C1=CC2=C(S1)C=NC=C2Cl Z1269153683 [0,1,0,0,0,1|2,0,0]=4 237 B14R2.7969 O=C(O)C1=NC2=C(N1)N=CN=C2Cl Z1198308577 [0,1,0,0,0,1|2,0,0]=4 238 B14R2.707 CC1=C(C2=C(O1)C=C(N2)C(=O)O)C Z1258981389 [0,2,0,0,0,0|1,1,0]=4 239 B14R2.707 CN1C(=O)SC2=C1SC(=C2)C(=O)O Z3243648126 [0,2,0,0,0,0|1,0,1]=4 240 B14R2.1194 NCC1=CC2=C(S1)C=C(S2)C(=O)O Z3824313554 [0,2,0,0,0,0|2,0,0]=4 241 B14R2.1194 O=CC1=CC2=C(O1)C=C(N2)C(=O)O Z1862025447 [0,2,0,0,0,0|1,1,0]=4 242 B14R2.1194 O=CC1=CC2=C(S1)C=C(N2)C(=O)O Z1262528271 [0,2,0,0,0,0|1,0,0]=3 243 B14R2.1194 O=CC1=CC2=C(S1)NC(=C2)C(=O)O Z1262521378 [0,2,0,0,0,0|2,0,0]=4 244 B14R2.10815 COC(=O)C1=CC2=C(N1)C=C(S2)C Z1198177107 [0,2,0,0,0,0|1,0,0]=3 245 B14R2.10815 COC(=O)C1=CC2=C(N1)SC(=C2)Cl Z223031994 [0,2,0,0,0,0|2,0,0]=4 246 B14R2.10815 COC(=O)C1=CC2=C(N1)SC(=N2)C Z220638576 [0,2,0,0,0,0|2,0,0]=4 247 B14R2.10815 COC(=O)C1=CC2=C(S1)N=C(S2)N Z4461698374 [0,2,0,0,0,0|1,0,0]=3 248 B14R2.839 CCOC(=O)C1=CC2=C(N1)N=CS2 Z1255441057 [0,2,0,0,0,0|0,0,0]=2 249 B14R2.10637 COC(=O)C1=CC2=C(N1)C(=CS2)Br Z1269175905 [0,2,0,0,0,0|1,0,0]=3 250 B14R2.10637 COC(=O)C1=CC2=C(N1)N=CN2C Z2732552177 [0,2,0,0,0,0|1,0,0]=3 251 B14R2.10637 COC(=O)C1=CC2=C(S1)C(=CS2)Br Z3337488613 [0,2,0,0,0,0|2,0,0]=4 252 B14R2.4281 NCC1=C(SC2=C1SC=C2)C(=O)O Z2901983933 [0,2,0,0,0,0|2,0,0]=4 253 B12R2.1362 O=C(O)C1=CSC2=NC=CN12 Z1416159433 [0,0,1,1,0,0|2,0,0]=4 254 B10R1.23 NC(C(=O)O)C1=CC=CS1 Z803154920 [0,0,1,0,1,0|1,0,1]=4 255 B10R1.23 NC(C(=O)O)C1=CSC=N1 Z3699161008 [0,0,1,0,1,0|1,0,1]=4 256 B12R1.43 C/C(=C\C1=CC=NC=C1)/C(=O)O Z2466682039 [0,0,1,0,0,1|2,0,0]=4 257 B12R1.43 C/C(=C\C1=CN=CC=C1)/C(=O)O Z2467131746 [0,0,1,0,0,1|2,0,0]=4 258 B12R1.43 O=C(O)/C(=C/C1=CN=CC=C1)/F Z2081677235 [0,0,1,0,0,1|2,0,0]=4 259 B12R1.264 O=C(O)C(=O)/C=C/C1=CC=CS1 Z104378004 [0,0,1,0,0,1|2,0,0]=4 260 B12R1.125 CC1=C(C=CC=N1)/C=C/C(=O)O Z2235790871 [0,0,1,0,0,1|2,0,0]=4 261 B12R1.125 CC1=C(C=CN=C1)/C=C/C(=O)O Z2235790666 [0,0,1,0,0,1|2,0,0]=4 262 B12R1.125 O=C(O)/C=C/C1=C(N=CC=C1)Br Z1269170340 [0,0,1,0,0,1|2,0,0]=4 263 B12R1.125 O=C(O)/C=C/C1=C(N=CC=C1)Cl Z1201624228 [0,0,1,0,0,1|2,0,0]=4 264 B12R1.226 NC1=CC(=CC=C1)/C=C/C(=O)O Z2942853438 [0,0,1,0,0,1|2,0,0]=4 265 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Br Z1269228386 [0,0,1,0,0,1|2,0,0]=4 266 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)Cl Z1255503510 [0,0,1,0,0,1|2,0,0]=4 267 B12R1.226 O=C(O)/C=C/C1=CC(=NC=C1)O Z2633787192 [0,0,1,0,0,1|2,0,0]=4 268 B12R2.32 O=CC1=CC2=C(N1)C=CC=C2 Z1203160203 [1,0,0,0,0,1|2,0,0]=4 269 B12R2.32 O=CC1=CC2=C(N1)C=CC=N2 Z1198177421 [1,0,0,0,0,1|2,0,0]=4 270 B12R2.32 O=CC1=CC2=C(N1)C=CN=C2 Z3305262316 [1,0,0,0,0,1|2,0,0]=4 271 B12R2.32 O=CC1=CC2=C(N1)N=CC=C2 Z1198177420 [1,0,0,0,0,1|1,0,0]=3 272 B12R2.32 O=CC1=CC2=C(O1)N=CC=C2 Z1255505540 [1,0,0,0,0,1|2,0,0]=4 273 B12R2.32 O=CC1=CC2=C(S1)C=NC=C2 Z1198309374 [1,0,0,0,0,1|2,0,0]=4 274 B12R2.32 O=CC1=CC2=C(S1)N=CC=C2 Z1160905957 [1,0,0,0,0,1|2,0,0]=4 275 B12R2.44 O=CC1=CC2=C(C=C1)N=CS2 Z1255419863 [1,0,0,0,0,1|1,0,0]=3 276 B12R2.44 O=CC1=CC2=C(C=C1)NC=N2 Z1021421726 [1,0,0,0,0,1|2,0,0]=4 277 B12R2.44 O=CC1=CC2=C(C=C1)SC=C2 Z1201623148 [1,0,0,0,0,1|2,0,0]=4 278 B12R2.44 O=CC1=CC2=C(C=C1)SC=N2 Z1255396184 [1,0,0,0,0,1|1,0,0]=3 279 B12R2.44 O=CC1=CC2=C(C=CS2)N=C1 Z1202209325 [1,0,0,0,0,1|1,0,1]=4 280 B14R2.781 O=C(O)C1=CC2=C(C=C1)C=NC=C2 Z1198261891 [0,0,0,0,0,2|2,0,0]=4 281 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CC=C2 Z382700998 [0,0,0,0,0,2|2,0,0]=4 282 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CC=N2 Z56957505 [0,0,0,0,0,2|2,0,0]=4 283 B14R2.781 O=C(O)C1=CC2=C(C=C1)N=CN=C2 Z1198330028 [0,0,0,0,0,2|2,0,0]=4 284 B14R2.781 O=C(O)C1=CC2=C(C=CC=N2)C=C1 Z1198148848 [0,0,0,0,0,2|2,0,0]=4 285 B14R2.781 O=C(O)C1=CC2=C(C=CN=C2)C=C1 Z1198279302 [0,0,0,0,0,2|2,0,0]=4 286 B14R2.781 O=C(O)C1=CC2=C(C=CN=C2)N=C1 Z1201623994 [0,0,0,0,0,2|2,0,0]=4 287 B14R2.781 O=C(O)C1=CC2=C(N=CC=C2)N=C1 Z1198168599 [0,0,0,0,0,2|1,0,1]=4 288 B14R2.781 O=C(O)C1=CC2=C(N=CC=N2)N=C1 Z1255395805 [0,0,0,0,0,2|1,0,1]=4 289 B14R2.781 O=C(O)C1=NC2=C(C=C1)N=CC=N2 Z1198168950 [0,0,0,0,0,2|1,0,1]=4 290 B14R2.781 O=C(O)C1=NC2=C(C=CC=N2)C=C1 Z1192378572 [0,0,0,0,0,2|1,0,1]=4 291 B14R2.781 O=C(O)C1=NC2=C(C=CN=C2)C=C1 Z1198330967 [0,0,0,0,0,2|1,0,1]=4 292 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)N=CS2 Z1258981483 [0,0,0,0,0,2|1,0,0]=3 293 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)NC=N2 Z3301400982 [0,0,0,0,0,2|2,0,0]=4