0 B12R1.101 CC1=CC(=CC(=C1)CC(=O)O)C Z274447882 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.101 NC1=CC(=CC(=C1)Br)CC(=O)O Z2732612288 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.101 O=C(O)CC1=CC(=CC(=C1)Cl)Cl Z1269159102 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.101 O=C(O)CC1=CC(=CC(=C1)F)Br Z1269139128 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.101 O=C(O)CC1=CC(=CC(=C1)I)I Z1269132492 [0,0,0,0,0,0|4,0,0]=4 5 B12R1.101 O=C(O)CC1=CC(=CC(=C1)O)Br Z1269195529 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.101 O=C(O)CC1=CC(=O)NC(=O)N1 Z57046946 [0,0,0,0,0,0|0,0,0]=0 7 B12R1.101 O=C(O)CC1CC(=O)NC(=O)C1 Z1201623211 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.157 NC1=CC(=CC=C1)CC(=O)O Z992267406 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.157 NC1=NC=CC(=C1)CC(=O)O Z1197888454 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.157 O=C(O)CC1=CC(=CC=C1)Br Z285131530 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.157 O=C(O)CC1=CC(=CC=C1)Cl Z285184608 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.157 O=C(O)CC1=CC(=CC=C1)F Z104486030 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.157 O=C(O)CC1=CC(=CC=C1)I Z1269113140 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.157 O=C(O)CC1=CC(=CC=C1)O Z816000338 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.157 O=C(O)CC1=CC(=NC=C1)O Z5003228420 [1,0,0,0,0,0|1,0,2]=4 16 B13R1.2874 COC(=O)CC1=CC(=O)NC(=N1)S Z104341280 [0,1,0,0,0,0|0,1,1]=3 17 B13R1.2874 NNC(=O)CC1=CC(=O)NC(=N1)S Z104378016 [0,1,0,0,0,0|1,1,1]=4 18 B13R2.5397 CC1=CC2=C(S1)NC(=O)NC2=O Z1255440908 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.5397 O=C1NC(=O)C2=C(N1)C=C(S2)Cl Z4410565990 [0,0,0,1,0,0|1,1,1]=4 20 B13R2.5397 O=C1NC(=O)C2=C(N1)NC(=O)N2 Z104473370 [0,0,0,1,0,0|2,0,0]=3 21 B11R1.74 CC1=CC(=CC(=O)N1)C(=O)O Z1198178343 [0,0,0,0,1,0|2,0,0]=3 22 B11R1.74 CC1=CC(=O)NC(=C1)C(=O)O Z2213893336 [0,0,0,0,1,0|2,0,0]=3 23 B11R1.74 CC1=NC(=CC(=O)N1)C(=O)O Z2830621415 [0,0,0,0,1,0|1,0,1]=3 24 B11R1.74 CC1=NC(=O)NC(=C1)C(=O)O Z426199850 [0,0,0,0,1,0|1,0,1]=3 25 B11R1.74 NC(=O)C1=CC(=O)NC(=O)N1 Z33546649 [0,0,0,0,1,0|1,0,0]=2 26 B11R1.74 O=C1C=C(C=C(N1)Br)C(=O)O Z2216720826 [0,0,0,0,1,0|2,0,0]=3 27 B11R1.74 O=C1C=C(C=C(N1)C(=O)O)O Z2028214371 [0,0,0,0,1,0|1,0,1]=3 28 B11R1.74 O=C1C=C(C=C(N1)O)C(=O)O Z56855768 [0,0,0,0,1,0|1,0,1]=3 29 B11R1.74 O=C1C=C(C=C(O1)C(=O)O)O Z1262546364 [0,0,0,0,1,0|2,0,1]=4 30 B11R1.74 O=C1C=C(NC(=O)N1)C(=O)O Z2848108703 [0,0,0,0,1,0|0,0,0]=1 31 B11R1.74 O=C1CC(CC(=O)N1)C(=O)O Z337709370 [0,0,0,0,1,0|1,0,2]=4 32 B11R1.74 O=C1C[C@H](NC(=O)N1)C(=O)O Z1198153153 [0,0,0,0,1,0|0,0,2]=3 33 B11R1.74 O=C1N=C(NC(=O)N1)C(=O)[O-] Z3066893590 [0,0,0,0,1,0|1,0,1]=3 34 B11R1.645 CC1=CC(=C(S1)C)CC(=O)O Z978942534 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.645 NC(=O)NC1NC(=O)NC1=O Z104486690 [0,0,0,0,1,0|2,0,1]=4 36 B11R1.645 O=C(O)CC1=C(SC(=C1)Br)Br Z3304638006 [0,0,0,0,1,0|3,0,0]=4 37 B11R1.645 O=C(O)CC1NC(=O)NC1=O Z57662377 [0,0,0,0,1,0|0,0,1]=2 38 B11R1.645 O=C(O)CC1SC(=O)NC1=O Z57178766 [0,0,0,0,1,0|1,0,1]=3 39 B11R1.645 O=C(O)CN1CC(=O)NC1=O Z1143271959 [0,0,0,0,1,0|1,0,1]=3 40 B13R1.3420 NC1=CC(=O)NC(=N1)SCC(=O)O Z56946187 [0,0,0,0,0,1|3,0,0]=4 41 B10R1.8 CCC1=CC(=O)NC(=O)N1 Z1255402371 [2,0,0,0,0,0|0,0,1]=3 42 B10R1.8 NC1=NC(=CC(=O)N1)CO Z1201625770 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.8 NCC1=CC(=O)NC(=O)N1 Z2375508286 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.18 O=C(O)CC1=CC=NC=C1 Z271099418 [2,0,0,0,0,0|1,0,1]=4 45 B12R1.224 O=C(O)CC1=C(C(=O)NC=C1)Br Z1889916989 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.438 O=CC1=CC=CC(=C1)CC(=O)O Z1262512246 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.11 CCC1=CC(=CC(=O)N1)C(=O)O Z1198320047 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.11 COC1=NC(=CC(=O)N1)C(=O)O Z1708089997 [0,1,0,0,1,0|0,0,2]=4 49 B12R1.511 NC1=C(NC(=O)NC1=O)C(=O)O Z104474086 [0,1,0,0,1,0|0,0,0]=2 50 B12R1.182 O=CNC1=NC(=CS1)CC(=O)O Z760037046 [0,0,1,1,0,0|0,1,1]=4 51 B12R1.1000 CC(=O)C1C(=O)NC(=O)NC1=O Z56820805 [0,0,1,1,0,0|2,0,0]=4 52 B12R1.861 O=C(O)CCC1NC(=O)NC1=O Z56347438 [0,0,1,1,0,0|0,0,2]=4 53 B12R2.246 O=C1C=C2CCCN2C(=O)N1 Z1262694529 [1,0,0,1,0,0|1,0,1]=4 54 B12R2.246 O=C1NC(=O)C2=C(N1)C=CN2 Z1198175553 [1,0,0,1,0,0|1,0,1]=4 55 B12R2.246 O=C1NC(=O)C2=C(N1)C=CS2 Z287017748 [1,0,0,1,0,0|0,1,1]=4 56 B12R2.246 O=C1NC(=O)C2=C(N1)CCC2 Z56871938 [1,0,0,1,0,0|1,0,1]=4 57 B12R2.246 O=C1NC(=O)C2=C(N1)NC=N2 Z57825360 [1,0,0,1,0,0|2,0,0]=4 58 B12R2.246 O=C1NC(=O)C2=C(N1)SC=N2 Z3241252485 [1,0,0,1,0,0|2,0,0]=4 59 B12R2.2294 O=C1C=C(NC(=O)N1)C2CC2 Z1262692478 [1,0,0,1,0,0|1,0,1]=4 60 B14R2.27750 CN1C(=O)NC2=C1C(=O)NC(=O)N2 Z1198148402 [0,1,0,1,0,0|2,0,0]=4 61 B10R1.54 CC1=CC=C(O1)CC(=O)O Z978942572 [1,0,0,0,1,0|2,0,0]=4 62 B10R1.54 CC1=CC=C(S1)CC(=O)O Z362118824 [1,0,0,0,1,0|2,0,0]=4 63 B10R1.54 CC1=CNC(=N1)CC(=O)O Z5208005916 [1,0,0,0,1,0|2,0,0]=4 64 B10R1.54 CC1=CSC(=C1)CC(=O)O Z1255506269 [1,0,0,0,1,0|2,0,0]=4 65 B10R1.54 CC1=NC(=CN1)CC(=O)O Z3492410978 [1,0,0,0,1,0|1,0,1]=4 66 B10R1.54 CC1=NNC(=C1)CC(=O)O Z856210714 [1,0,0,0,1,0|1,0,1]=4 67 B10R1.54 NC1=NNC(=C1)CC(=O)O Z1198267216 [1,0,0,0,1,0|1,0,1]=4 68 B10R1.54 O=C(O)CC1=CC=C(S1)Cl Z285575844 [1,0,0,0,1,0|2,0,0]=4 69 B10R1.54 O=C(O)CC1=NNC(=O)C1 Z381006232 [1,0,0,0,1,0|0,0,2]=4 70 B10R1.64 CC1=C(N=CN1)CC(=O)O Z1945696029 [1,0,0,0,1,0|1,0,1]=4 71 B10R1.64 O=C(O)CC1=C(SC=C1)Br Z1416196048 [1,0,0,0,1,0|2,0,0]=4 72 B10R1.64 O=C(O)CC1=CNNC1=O Z1198173451 [1,0,0,0,1,0|1,0,0]=3 73 B10R1.64 O=C(O)CN1C=NNC1=O Z1532717322 [1,0,0,0,1,0|2,0,0]=4 74 B10R1.113 CC(=O)C1=CC(=O)NC=C1 Z1216849381 [1,0,0,0,1,0|2,0,0]=4 75 B10R1.113 O=C1C=C(C=CN1)C(=O)O Z1416200909 [1,0,0,0,1,0|1,0,0]=3 76 B10R1.113 O=C1C=C(C=NN1)C(=O)O Z1198177386 [1,0,0,0,1,0|2,0,0]=4 77 B10R1.113 O=C1C=C(N=CN1)C(=O)O Z2689031648 [1,0,0,0,1,0|0,0,1]=3 78 B10R1.113 O=C1C=CC=C(N1)C(=O)O Z359371306 [1,0,0,0,1,0|1,0,0]=3 79 B10R1.113 O=C1C=CC=C(O1)C(=O)O Z1198151696 [1,0,0,0,1,0|2,0,0]=4 80 B10R1.113 O=C1C=NC=C(N1)C(=O)O Z1821397992 [1,0,0,0,1,0|2,0,0]=4 81 B10R1.58 CC1=C(NC(=C1)C(=O)O)C Z1198334173 [0,0,0,0,2,0|2,0,0]=4 82 B10R1.58 CN1C=C(NC1=O)C(=O)O Z1205495049 [0,0,0,0,2,0|2,0,0]=4 83 B10R1.58 CN1NC(=CC1=O)C(=O)O Z2236735605 [0,0,0,0,2,0|2,0,0]=4 84 B10R1.58 O=C(O)C1=CC(=C(N1)Br)Br Z227972132 [0,0,0,0,2,0|2,0,0]=4 85 B10R1.58 O=C(O)C1=CC(=C(N1)Cl)Br Z419918952 [0,0,0,0,2,0|2,0,0]=4 86 B10R1.58 O=C(O)C1=CC(=C(N1)Cl)Cl Z220588546 [0,0,0,0,2,0|2,0,0]=4 87 B10R1.59 CC1=CC(=C(N1)C)C(=O)O Z239549280 [0,0,0,0,2,0|2,0,0]=4 88 B12R1.233 NC1=NC=C(C(=O)N1)CC(=O)O Z5087129668 [0,0,0,0,1,1|1,0,0]=3 89 B12R1.233 O=C(O)CC1=CNC(=NC1=O)S Z2732606553 [0,0,0,0,1,1|0,1,1]=4 90 B12R1.233 O=C(O)CC1CCC(=O)NC1=O Z2732510166 [0,0,0,0,1,1|0,0,2]=4 91 B12R1.233 O=C(O)CN1C=CC(=O)NC1=O Z104502076 [0,0,0,0,1,1|1,0,0]=3 92 B12R1.233 O=C(O)CN1CCC(=O)NC1=O Z1165304111 [0,0,0,0,1,1|1,0,1]=4 93 B12R1.233 O=C(O)CN1N=CC(=O)NC1=O Z1262521384 [0,0,0,0,1,1|1,0,0]=3