0 B12R2.100 CC1=Nc2cscc2NC1=O Amb28369344 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.100 CC1Nc2ccoc2NC1=O Amb18681636 [0,0,0,0,0,0|1,1,1]=3 2 B12R2.100 CC1Nc2cscc2NC1=O Amb18681560 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.100 CC1Oc2sccc2NC1=O Amb27783355 [0,0,0,0,0,0|2,0,1]=3 4 B12R2.100 C[C@@H]1Nc2occc2NC1=O Amb18201430 [0,0,0,0,0,0|1,1,1]=3 5 B12R2.100 Cc1cc2ccsc2cc1Cl Amb28050804 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.100 Cc1cc2ccsc2nc1C Amb27963176 [0,0,0,0,0,0|3,0,1]=4 7 B12R2.100 Cc1cc2sccc2cc1N Amb18670834 [0,0,0,0,0,0|4,0,0]=4 8 B12R2.100 Cc1cc2sccc2nc1N Amb27603804 [0,0,0,0,0,0|3,0,1]=4 9 B12R2.100 Cc1nc2sccc2nc1Br Amb18755337 [0,0,0,0,0,0|2,0,2]=4 10 B12R2.100 Clc1cc2ccsc2cc1Br Amb28182558 [0,0,0,0,0,0|4,0,0]=4 11 B12R2.100 Fc1cc2ccsc2cc1Br Amb25049414 [0,0,0,0,0,0|4,0,0]=4 12 B12R2.100 Fc1cc2ccsc2cc1F Amb27393350 [0,0,0,0,0,0|4,0,0]=4 13 B12R2.100 Nc1cc2ccsc2cc1Br Amb27627138 [0,0,0,0,0,0|4,0,0]=4 14 B12R2.100 Nc1cc2ccsc2cc1Cl Amb18664304 [0,0,0,0,0,0|4,0,0]=4 15 B12R2.100 Nc1cc2ccsc2cc1F Amb18136644 [0,0,0,0,0,0|4,0,0]=4 16 B12R2.100 O=C1Nc2ccsc2NC1=O Amb24184104 [0,0,0,0,0,0|0,0,0]=0 17 B12R2.100 O=C1Nc2cnoc2C=C1O Amb27427257 [0,0,0,0,0,0|2,1,1]=4 18 B12R2.100 O=C1Nc2cocc2NC1=O Amb20664974 [0,0,0,0,0,0|2,0,0]=2 19 B12R2.100 O=C1Nc2cscc2NC1=O Amb27614352 [0,0,0,0,0,0|2,0,0]=2 20 B12R2.100 O=C1Nc2nnnn2NC1=O Amb27867365 [0,0,0,0,0,0|4,0,0]=4 21 B12R2.100 O=C1Nc2nonc2NC1=O Amb33544318 [0,0,0,0,0,0|3,0,0]=3 22 B11R2.36 Brc1ccc2ccsc2c1 Amb10975970 [1,0,0,0,0,0|3,0,0]=4 23 B11R2.36 Brc1ccc2sccc2c1 Amb2447430 [1,0,0,0,0,0|3,0,0]=4 24 B11R2.36 Brc1ccc2sccc2n1 Amb18769649 [1,0,0,0,0,0|2,0,1]=4 25 B11R2.36 Brc1cnc2sccc2c1 Amb18769679 [1,0,0,0,0,0|2,0,1]=4 26 B11R2.36 Cc1ccc2ccsc2c1 Amb10603775 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.36 Cc1ccc2sccc2c1 Amb2689331 [1,0,0,0,0,0|3,0,0]=4 28 B11R2.36 Cc1cnc2ccsc2c1 Amb28342766 [1,0,0,0,0,0|2,0,1]=4 29 B11R2.36 ClC1=NCc2ccsc2N1 Amb26444221 [1,0,0,0,0,0|3,0,0]=4 30 B11R2.36 Clc1ccc2ccsc2c1 Amb24091106 [1,0,0,0,0,0|3,0,0]=4 31 B11R2.36 Clc1ccc2ccsc2n1 Amb21962458 [1,0,0,0,0,0|2,0,1]=4 32 B11R2.36 Clc1ccc2sccc2c1 Amb8629060 [1,0,0,0,0,0|3,0,0]=4 33 B11R2.36 Clc1ccc2sccc2n1 Amb21962456 [1,0,0,0,0,0|2,0,1]=4 34 B11R2.36 Clc1cnc2ccsc2c1 Amb27642568 [1,0,0,0,0,0|2,0,1]=4 35 B11R2.36 Clc1cnc2sccc2c1 Amb26527712 [1,0,0,0,0,0|2,0,1]=4 36 B11R2.36 Fc1ccc2sccc2c1 Amb19958720 [1,0,0,0,0,0|3,0,0]=4 37 B11R2.36 Ic1ccc2sccc2c1 Amb24062930 [1,0,0,0,0,0|3,0,0]=4 38 B11R2.36 Nc1ccc2ccsc2c1 Amb30633689 [1,0,0,0,0,0|3,0,0]=4 39 B11R2.36 Nc1ccc2ccsc2c1 Amb8439505 [1,0,0,0,0,0|3,0,0]=4 40 B11R2.36 Nc1ccc2sccc2c1 Amb33526381 [1,0,0,0,0,0|3,0,0]=4 41 B11R2.36 Nc1ccc2sccc2c1 Amb482302 [1,0,0,0,0,0|3,0,0]=4 42 B11R2.36 Nc1cnc2ccsc2c1 Amb19374072 [1,0,0,0,0,0|2,0,1]=4 43 B11R2.36 Nc1cnc2ccsc2c1 Amb31217501 [1,0,0,0,0,0|2,0,1]=4 44 B11R2.36 Nc1cnc2sccc2c1 Amb19957875 [1,0,0,0,0,0|2,0,1]=4 45 B11R2.36 O=C1C=Cc2ccsc2N1 Amb24417184 [1,0,0,0,0,0|1,0,0]=2 46 B11R2.36 O=C1C=Cc2nccn2N1 Amb22388527 [1,0,0,0,0,0|3,0,0]=4 47 B11R2.36 O=C1C=Cc2sccc2N1 Amb28206306 [1,0,0,0,0,0|1,0,0]=2 48 B11R2.36 O=C1C=Cn2nccc2N1 Amb21927423 [1,0,0,0,0,0|3,0,0]=4 49 B11R2.36 O=C1CCc2ccsc2C1 Amb24707052 [1,0,0,0,0,0|2,0,1]=4 50 B11R2.36 O=C1CCc2sccc2C1 Amb28288918 [1,0,0,0,0,0|2,0,1]=4 51 B11R2.36 O=C1CNc2cocc2N1 Amb18685670 [1,0,0,0,0,0|2,0,1]=4 52 B11R2.36 O=C1CSc2sccc2N1 Amb24417058 [1,0,0,0,0,0|1,0,1]=3 53 B11R2.36 O=c1ccc2ccsc2o1 Amb5720014 [1,0,0,0,0,0|2,0,0]=3 54 B11R2.36 O=c1ccc2sccc2o1 Amb5719894 [1,0,0,0,0,0|2,0,0]=3 55 B11R2.36 Oc1ccc2ccsc2c1 Amb18644429 [1,0,0,0,0,0|2,0,1]=4 56 B11R2.36 Oc1ccc2sccc2c1 Amb18644430 [1,0,0,0,0,0|2,0,1]=4 57 B11R2.36 Oc1cnc2ccsc2c1 Amb19959222 [1,0,0,0,0,0|1,0,2]=4 58 B11R2.36 Oc1cnc2sccc2c1 Amb18644463 [1,0,0,0,0,0|1,0,2]=4 59 B11R2.36 Sc1cnc2ccsc2c1 Amb19374475 [1,0,0,0,0,0|1,1,1]=4 60 B13R2.352 CC1(C)Nc2ccsc2NC1=O Amb18673715 [0,1,0,0,0,0|1,0,1]=3 61 B13R2.352 CC1(C)Nc2sccc2NC1=O Amb18681540 [0,1,0,0,0,0|1,0,1]=3 62 B13R2.599 CCC1Nc2ccsc2NC1=O Amb18671109 [0,1,0,0,0,0|1,0,1]=3 63 B13R2.599 Cc1cc2sccc2cc1C=O Amb18675515 [0,1,0,0,0,0|3,0,0]=4 64 B13R2.599 N#CC1=Cc2sccc2NC1=O Amb18647966 [0,1,0,0,0,0|2,0,0]=3 65 B13R2.599 NCC1Oc2sccc2NC1=O Amb18822904 [0,1,0,0,0,0|2,0,1]=4 66 B13R2.599 O=CC1=CC2=NC=CC2=NC1=O Amb27752357 [0,1,0,0,0,0|2,0,1]=4 67 B13R2.599 O=Cc1cc2ccsc2cc1Br Amb22751330 [0,1,0,0,0,0|3,0,0]=4 68 B13R2.599 O=Cc1cc2ccsc2cc1Cl Amb18141436 [0,1,0,0,0,0|3,0,0]=4 69 B13R2.599 O=Cc1cc2ccsc2cc1F Amb18141467 [0,1,0,0,0,0|3,0,0]=4 70 B13R2.599 O=Cc1cc2ccsc2cc1O Amb18824897 [0,1,0,0,0,0|2,0,1]=4 71 B13R2.599 O=Cc1cc2sccc2nc1Br Amb18155947 [0,1,0,0,0,0|2,0,1]=4 72 B13R2.599 O=Cc1cc2sccc2nc1Cl Amb18652715 [0,1,0,0,0,0|2,0,1]=4 73 B13R2.4899 CC1=C(O)c2sccc2NC1=O Amb24470831 [0,1,0,0,0,0|2,0,0]=3 74 B13R2.4899 CC1C(=O)Nc2ccsc2C1=O Amb35735224 [0,1,0,0,0,0|2,0,1]=4 75 B13R2.4899 CN1C(=O)Nc2ccsc2C1=O Amb19854064 [0,1,0,0,0,0|3,0,0]=4 76 B13R2.4899 CN1C(=O)Nc2sccc2C1=O Amb26850920 [0,1,0,0,0,0|3,0,0]=4 77 B13R2.4899 N=C1c2ccsc2NC(=O)N1N Amb27616713 [0,1,0,0,0,0|3,0,0]=4 78 B13R2.11634 Cc1csc2nc(=O)c(=O)nc12 Amb24066328 [0,1,0,0,0,0|0,0,2]=3 79 B13R2.13083 CC1Oc2sc(N)cc2NC1=O Amb18822929 [0,1,0,0,0,0|2,0,1]=4 80 B13R2.13083 Cc1cc2c(o1)C=C(O)C(=O)N2 Amb28366674 [0,1,0,0,0,0|1,1,1]=4 81 B13R2.13083 Cc1cc2c(s1)C=C(O)C(=O)N2 Amb28208444 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.35 C=C(C)C(=O)Nc1nccs1 Amb27176622 [0,0,1,0,0,0|3,0,0]=4 83 B11R1.35 C=C(Cl)C(=O)Nc1ccsc1 Amb27217432 [0,0,1,0,0,0|2,0,0]=3 84 B11R1.35 C=C(Cl)C(=O)Nc1cnsc1 Amb29860154 [0,0,1,0,0,0|3,0,0]=4 85 B11R1.35 CC(=O)C(=O)Cc1ccco1 Amb25177671 [0,0,1,0,0,0|2,1,0]=4 86 B11R1.35 CC(=O)C(=O)Cc1cccs1 Amb24456858 [0,0,1,0,0,0|2,0,0]=3 87 B11R1.35 CC(=O)C(=O)Nc1ccsc1 Amb27484249 [0,0,1,0,0,0|1,0,0]=2 88 B11R1.35 CC(=O)C(=O)Nc1nccs1 Amb28454115 [0,0,1,0,0,0|2,0,0]=3 89 B11R1.35 CC(=O)\C(C)=C\c1ccsc1 Amb24434611 [0,0,1,0,0,0|3,0,0]=4 90 B11R1.35 CC(Cc1cccs1)C(N)=O Amb27760469 [0,0,1,0,0,0|2,0,1]=4 91 B11R1.35 CC(N)C(=O)Cc1cccs1 Amb18825907 [0,0,1,0,0,0|2,0,1]=4 92 B11R1.35 CC(N)C(=O)Cc1ccsc1 Amb25367085 [0,0,1,0,0,0|2,0,1]=4 93 B11R1.35 CC(N)C(=O)Nc1cnsc1 Amb35691391 [0,0,1,0,0,0|2,0,1]=4 94 B11R1.35 CC(Nc1cccs1)C(=O)O Amb27646118 [0,0,1,0,0,0|2,0,1]=4 95 B11R1.35 CC(O)C(=O)Nc1ccsc1 Amb28127194 [0,0,1,0,0,0|1,0,2]=4 96 B11R1.35 CN(Cc1cccs1)C(N)=O Amb9251648 [0,0,1,0,0,0|3,0,0]=4 97 B11R1.35 CN(Cc1ccsc1)C(N)=O Amb9251651 [0,0,1,0,0,0|3,0,0]=4 98 B11R1.35 C[C@@H](N)C(=O)Cc1cccs1 Amb33131707 [0,0,1,0,0,0|2,0,1]=4 99 B11R1.35 C[C@@H](N)C(=O)Cc1ccsc1 Amb33131703 [0,0,1,0,0,0|2,0,1]=4 100 B11R1.35 C[C@@H](N)C(=O)Nc1cnsc1 Amb29860102 [0,0,1,0,0,0|2,0,1]=4 101 B11R1.35 C[C@@H](N)C(=O)Nc1nccs1 Amb18180322 [0,0,1,0,0,0|2,0,1]=4 102 B11R1.35 C[C@H](N)C(=O)Cc1cccs1 Amb33131813 [0,0,1,0,0,0|2,0,1]=4 103 B11R1.35 C[C@H](N)C(=O)Cc1ccsc1 Amb33131809 [0,0,1,0,0,0|2,0,1]=4 104 B11R1.35 C[C@H](N)C(=O)Nc1ccsc1 Amb28185217 [0,0,1,0,0,0|1,0,1]=3 105 B11R1.35 C[C@H](N)C(=O)Nc1cnsc1 Amb35691390 [0,0,1,0,0,0|2,0,1]=4 106 B11R1.35 C[C@H](Nc1cccs1)C(=O)O Amb10603707 [0,0,1,0,0,0|2,0,1]=4 107 B11R1.35 C[C@H](Nc1ccsc1)C(=O)O Amb17912732 [0,0,1,0,0,0|2,0,1]=4 108 B11R1.35 C\C(=C/c1ccco1)C(N)=O Amb27231811 [0,0,1,0,0,0|2,1,0]=4 109 B11R1.35 C\C(=C/c1cccs1)C(=O)O Amb5743925 [0,0,1,0,0,0|3,0,0]=4 110 B11R1.35 C\C(=C\c1cccs1)C(=O)Cl Amb27952877 [0,0,1,0,0,0|3,0,0]=4 111 B11R1.35 C\C(=C\c1ccsc1)C(=O)O Amb28069074 [0,0,1,0,0,0|3,0,0]=4 112 B11R1.35 NC(=O)C(=O)Nc1ccon1 Amb27487081 [0,0,1,0,0,0|1,1,0]=3 113 B11R1.35 NC(=O)C(=O)Nc1nccs1 Amb1790910 [0,0,1,0,0,0|1,0,0]=2 114 B11R1.35 NC(=O)C(N)Cc1cccs1 Amb24487730 [0,0,1,0,0,0|2,0,1]=4 115 B11R1.35 NC(=O)C(N)Cc1ccsc1 Amb25092321 [0,0,1,0,0,0|2,0,1]=4 116 B11R1.35 NC(=O)N(O)Cc1ccsc1 Amb28048812 [0,0,1,0,0,0|2,0,1]=4 117 B11R1.35 O=C(O)C(=O)Cc1ccco1 Amb1137668 [0,0,1,0,0,0|2,1,0]=4 118 B11R1.35 O=C(O)C(=O)Cc1cccs1 Amb1135982 [0,0,1,0,0,0|2,0,0]=3 119 B11R1.35 O=C(O)C(=O)Cc1ccns1 Amb30013621 [0,0,1,0,0,0|3,0,0]=4 120 B11R1.35 O=C(O)C(=O)Cc1ccoc1 Amb26072039 [0,0,1,0,0,0|2,1,0]=4 121 B11R1.35 O=C(O)C(=O)Cc1ccsc1 Amb1133942 [0,0,1,0,0,0|2,0,0]=3 122 B11R1.35 O=C(O)C(=O)Cc1cncs1 Amb27945694 [0,0,1,0,0,0|3,0,0]=4 123 B11R1.35 O=C(O)C(=O)Cc1cscn1 Amb25879054 [0,0,1,0,0,0|3,0,0]=4 124 B11R1.35 O=C(O)C(=O)Cc1nccs1 Amb27401968 [0,0,1,0,0,0|3,0,0]=4 125 B11R1.35 O=C(O)C(=O)Nc1cccs1 Amb27450757 [0,0,1,0,0,0|1,0,0]=2 126 B11R1.35 O=C(O)C(=O)Nc1ccsc1 Amb27664522 [0,0,1,0,0,0|1,0,0]=2 127 B11R1.35 O=C(O)C(=O)Nc1cnsc1 Amb30015415 [0,0,1,0,0,0|2,0,0]=3 128 B11R1.35 O=C(O)C(=O)Nc1csnn1 Amb30015124 [0,0,1,0,0,0|3,0,0]=4 129 B11R1.35 O=C(O)C(=O)Nc1nccs1 Amb9284838 [0,0,1,0,0,0|2,0,0]=3 130 B11R1.35 O=C(O)C(=O)Nc1nncs1 Amb9303780 [0,0,1,0,0,0|3,0,0]=4 131 B11R1.35 O=C(O)C(=S)Cc1ccsc1 Amb27407692 [0,0,1,0,0,0|2,1,0]=4 132 B11R1.35 O=C(O)\C(F)=C\c1cccs1 Amb27470240 [0,0,1,0,0,0|3,0,0]=4 133 B11R1.35 O=C([O-])C(=O)Cc1cccs1 Amb33512939 [0,0,1,0,0,0|2,0,0]=3 134 B11R1.228 C#CC(=O)Nc1ccsc1Cl Amb28129107 [0,0,1,0,0,0|2,0,1]=4 135 B11R1.228 C=CC(=O)Cc1ccsc1Cl Amb35617018 [0,0,1,0,0,0|3,0,0]=4 136 B11R1.228 CCC(=O)Nc1ccsc1Cl Amb28293940 [0,0,1,0,0,0|2,0,1]=4 137 B11R1.228 CNC(=O)Nc1ccsc1Cl Amb27956409 [0,0,1,0,0,0|3,0,0]=4 138 B11R1.228 COC(=O)Nc1ccsc1Cl Amb28291929 [0,0,1,0,0,0|3,0,0]=4 139 B11R1.228 C\C(C=O)=C\c1ccsc1C Amb28347813 [0,0,1,0,0,0|3,0,0]=4 140 B11R1.228 C\C(C=O)=C\c1ccsc1Cl Amb27472447 [0,0,1,0,0,0|3,0,0]=4 141 B11R1.228 C\C(C=O)=C\c1sccc1C Amb27647200 [0,0,1,0,0,0|3,0,0]=4 142 B11R1.228 NNC(=O)Nc1ccsc1Cl Amb27424547 [0,0,1,0,0,0|3,0,0]=4 143 B11R1.228 O=C(CS)Nc1ccsc1Cl Amb27424533 [0,0,1,0,0,0|1,1,1]=4 144 B11R2.8 C=C1Cc2sccc2C1=O Amb18561540 [0,0,0,0,1,0|2,0,0]=3 145 B11R2.8 CC1=Nc2sccc2C1=O Amb5721189 [0,0,0,0,1,0|1,0,1]=3 146 B11R2.8 CC1Cc2sccc2C1=O Amb18063800 [0,0,0,0,1,0|2,0,1]=4 147 B11R2.8 CN1C(=O)Nc2ccsc21 Amb21856941 [0,0,0,0,1,0|2,0,0]=3 148 B11R2.8 CN1C(=O)Nc2sccc21 Amb22497943 [0,0,0,0,1,0|2,0,0]=3 149 B11R2.8 NC1=C2SSC=C2NC1=O Amb28071007 [0,0,0,0,1,0|2,0,0]=3 150 B11R2.8 NC1Cc2sccc2C1=O Amb18831125 [0,0,0,0,1,0|2,0,1]=4 151 B11R2.8 Nc1c(Br)sc2ccsc12 Amb18677896 [0,0,0,0,1,0|3,0,0]=4 152 B11R2.8 O=C1Cn2cccc2C1=O Amb27409623 [0,0,0,0,1,0|3,0,0]=4 153 B11R2.8 O=C1Nc2ccsc2C1O Amb27408328 [0,0,0,0,1,0|0,0,2]=3 154 B11R2.8 O=C1c2ccsc2CC1Br Amb8485551 [0,0,0,0,1,0|2,0,1]=4 155 B11R2.8 O=C1c2sccc2C[C@H]1O Amb27453565 [0,0,0,0,1,0|1,0,2]=4 156 B13R2.207 O=C1CC(=O)NC2=C(NON2)N1 Amb9833221 [0,0,0,0,0,1|3,0,0]=4 157 B13R2.207 O=C1CC(=O)Nc2nonc2N1 Amb20413941 [0,0,0,0,0,1|3,0,0]=4 158 B13R2.207 O=C1CC(=O)Nc2sccc2N1 Amb27203403 [0,0,0,0,0,1|0,0,0]=1 159 B13R2.232 NC1CCc2sccc2NC1=O Amb24483707 [0,0,0,0,0,1|2,0,1]=4 160 B13R2.232 NC1CCc2sccc2NC1=O Amb33069041 [0,0,0,0,0,1|2,0,1]=4 161 B13R2.232 O=C1Nc2ccsc2CCC1Br Amb27251116 [0,0,0,0,0,1|2,0,1]=4 162 B13R2.369 C=C1Nc2ccccc2OC1=O Amb25996357 [0,0,0,0,0,1|3,0,0]=4 163 B13R2.369 CC1=Cc2ccccc2NC1=O Amb19115338 [0,0,0,0,0,1|3,0,0]=4 164 B13R2.369 CC1=Cc2cccnc2NC1=O Amb22497900 [0,0,0,0,0,1|3,0,0]=4 165 B13R2.369 CC1=Cc2cnccc2NC1=O Amb27876494 [0,0,0,0,0,1|3,0,0]=4 166 B13R2.369 CC1=Nc2ccccc2NC1=O Amb18368610 [0,0,0,0,0,1|2,0,1]=4 167 B13R2.369 CC1=Nc2cccnc2NC1=O Amb19373141 [0,0,0,0,0,1|2,0,1]=4 168 B13R2.369 CC1=Nc2ccncc2NC1=O Amb23597005 [0,0,0,0,0,1|2,0,1]=4 169 B13R2.369 CC1=Nc2cncnc2NC1=O Amb25129049 [0,0,0,0,0,1|2,0,1]=4 170 B13R2.369 CC1=Nc2ncccc2NC1=O Amb26342261 [0,0,0,0,0,1|2,0,1]=4 171 B13R2.369 CC1Nc2ccccc2NC1=O Amb2418151 [0,0,0,0,0,1|2,0,1]=4 172 B13R2.369 CC1Nc2cccnc2NC1=O Amb24589618 [0,0,0,0,0,1|2,0,1]=4 173 B13R2.369 CC1Nc2ccncc2NC1=O Amb17095830 [0,0,0,0,0,1|2,0,1]=4 174 B13R2.369 CC1Nc2ccncc2NC1=O Amb30584912 [0,0,0,0,0,1|2,0,1]=4 175 B13R2.369 CC1Nc2cncnc2NC1=O Amb27645407 [0,0,0,0,0,1|2,0,1]=4 176 B13R2.369 CC1Nc2ncccc2NC1=O Amb19334168 [0,0,0,0,0,1|2,0,1]=4 177 B13R2.369 CC1Nc2nnccc2NC1=O Amb18828946 [0,0,0,0,0,1|2,0,1]=4 178 B13R2.369 C[C@@H]1Nc2ccncc2NC1=O Amb18829380 [0,0,0,0,0,1|2,0,1]=4 179 B13R2.369 C[C@H]1Nc2ccccc2NC1=O Amb24653859 [0,0,0,0,0,1|2,0,1]=4 180 B13R2.369 N=C1Nc2ccccc2NC1=O Amb19804517 [0,0,0,0,0,1|2,0,0]=3 181 B13R2.369 N=C1Nc2ccccc2OC1=O Amb20053203 [0,0,0,0,0,1|3,0,0]=4 182 B13R2.369 NC1=Cc2cnccc2NC1=O Amb32418303 [0,0,0,0,0,1|3,0,0]=4 183 B13R2.369 NC1=Nc2cccnc2NC1=O Amb25106877 [0,0,0,0,0,1|2,0,1]=4 184 B13R2.369 NC1=Nc2cnccc2NC1=O Amb26371895 [0,0,0,0,0,1|2,0,1]=4 185 B13R2.369 NC1=Nc2cncnc2NC1=O Amb18645780 [0,0,0,0,0,1|2,0,1]=4 186 B13R2.369 O=C1Cc2ccccc2OC1=O Amb22755081 [0,0,0,0,0,1|3,0,0]=4 187 B13R2.369 O=C1NC2=CCCCC2NC1=O Amb27217639 [0,0,0,0,0,1|1,0,2]=4 188 B13R2.369 O=C1Nc2ccccc2C=C1Br Amb20247010 [0,0,0,0,0,1|3,0,0]=4 189 B13R2.369 O=C1Nc2ccccc2C=C1Cl Amb21857147 [0,0,0,0,0,1|3,0,0]=4 190 B13R2.369 O=C1Nc2ccccc2C=C1F Amb22547229 [0,0,0,0,0,1|3,0,0]=4 191 B13R2.369 O=C1Nc2ccccc2C=C1O Amb20619410 [0,0,0,0,0,1|2,0,1]=4 192 B13R2.369 O=C1Nc2ccccc2NC1=O Amb18545062 [0,0,0,0,0,1|1,0,0]=2 193 B13R2.369 O=C1Nc2ccccc2NC1=S Amb19654259 [0,0,0,0,0,1|1,1,0]=3 194 B13R2.369 O=C1Nc2ccccc2OC1=O Amb19650977 [0,0,0,0,0,1|2,0,0]=3 195 B13R2.369 O=C1Nc2ccccc2SC1=O Amb27949655 [0,0,0,0,0,1|2,0,0]=3 196 B13R2.369 O=C1Nc2cccnc2C=C1Br Amb20671324 [0,0,0,0,0,1|3,0,0]=4 197 B13R2.369 O=C1Nc2cccnc2NC1=O Amb19813203 [0,0,0,0,0,1|1,0,0]=2 198 B13R2.369 O=C1Nc2ccncc2C=C1Br Amb26647449 [0,0,0,0,0,1|3,0,0]=4 199 B13R2.369 O=C1Nc2ccncc2C=C1Cl Amb27587506 [0,0,0,0,0,1|3,0,0]=4 200 B13R2.369 O=C1Nc2ccncc2C=C1O Amb25034645 [0,0,0,0,0,1|2,0,1]=4 201 B13R2.369 O=C1Nc2ccncc2NC1=O Amb18043122 [0,0,0,0,0,1|1,0,0]=2 202 B13R2.369 O=C1Nc2cncnc2NC1=O Amb24309295 [0,0,0,0,0,1|1,0,0]=2 203 B13R2.369 O=C1Oc2ccccc2NC1=S Amb27947432 [0,0,0,0,0,1|2,1,0]=4 204 B13R2.369 O=c1nc2cccnc2nc1=O Amb1040622 [0,0,0,0,0,1|1,0,2]=4 205 B13R2.369 S=C1Nc2ccccc2NC1=S Amb22527759 [0,0,0,0,0,1|1,2,0]=4 206 B10R1.27 C#CC(=O)Nc1ccsc1 Amb28315951 [1,0,1,0,0,0|1,0,1]=4 207 B10R1.27 C=CC(=O)Nc1cnsc1 Amb29860140 [1,0,1,0,0,0|2,0,0]=4 208 B10R1.27 C=CC(=O)Nc1cscn1 Amb24709378 [1,0,1,0,0,0|2,0,0]=4 209 B10R1.27 CNC(=O)Nc1ccsc1 Amb27260023 [1,0,1,0,0,0|2,0,0]=4 210 B10R1.27 COC(=O)Nc1ccsc1 Amb2612883 [1,0,1,0,0,0|2,0,0]=4 211 B10R1.27 C\C(C=O)=C/c1cccs1 Amb17334333 [1,0,1,0,0,0|2,0,0]=4 212 B10R1.27 C\C(C=O)=C/c1ccsc1 Amb18644530 [1,0,1,0,0,0|2,0,0]=4 213 B10R1.27 C\C(C=O)=C\c1ccsc1 Amb27402244 [1,0,1,0,0,0|2,0,0]=4 214 B10R1.27 N=C(NN)Nc1cccs1 Amb26064506 [1,0,1,0,0,0|2,0,0]=4 215 B10R1.27 NCC(=O)Cc1cccs1 Amb18908487 [1,0,1,0,0,0|1,0,1]=4 216 B10R1.27 NCC(=O)Cc1ccsc1 Amb18251481 [1,0,1,0,0,0|1,0,1]=4 217 B10R1.27 NCC(=O)Nc1cccs1 Amb24480928 [1,0,1,0,0,0|0,0,1]=3 218 B10R1.27 NCC(=O)Nc1cnsc1 Amb35691388 [1,0,1,0,0,0|1,0,1]=4 219 B10R1.27 NCC(=O)Nc1nccs1 Amb10609835 [1,0,1,0,0,0|1,0,1]=4 220 B10R1.27 NCC(=O)Nc1nccs1 Amb17622124 [1,0,1,0,0,0|1,0,1]=4 221 B10R1.27 NCC(=O)Nc1nccs1 Amb6262736 [1,0,1,0,0,0|1,0,1]=4 222 B10R1.27 NNC(=O)Cc1cccs1 Amb1153785 [1,0,1,0,0,0|2,0,0]=4 223 B10R1.27 NNC(=O)Cc1ccsc1 Amb2725959 [1,0,1,0,0,0|2,0,0]=4 224 B10R1.27 NNC(=O)Nc1cscn1 Amb27462485 [1,0,1,0,0,0|2,0,0]=4 225 B10R1.27 NNC(=O)Nc1nccs1 Amb27239901 [1,0,1,0,0,0|2,0,0]=4 226 B10R1.27 O=C(CCl)Nc1cccs1 Amb27863041 [1,0,1,0,0,0|1,0,1]=4 227 B10R1.27 O=C(CCl)Nc1ccsc1 Amb27875975 [1,0,1,0,0,0|1,0,1]=4 228 B10R1.27 O=C(CO)Nc1ccsc1 Amb28189188 [1,0,1,0,0,0|0,0,2]=4 229 B10R1.27 O=CC(=O)Cc1ccco1 Amb27180510 [1,0,1,0,0,0|1,1,0]=4 230 B10R1.27 O=C\C(Cl)=C/c1cccs1 Amb27227152 [1,0,1,0,0,0|2,0,0]=4 231 B10R1.27 O=C\C(F)=C\c1cccs1 Amb27770449 [1,0,1,0,0,0|2,0,0]=4 232 B10R1.66 CC(=O)\C=C\c1cccs1 Amb33512960 [1,0,1,0,0,0|2,0,0]=4 233 B10R1.66 CC(=O)\C=C\c1ccsc1 Amb22370887 [1,0,1,0,0,0|2,0,0]=4 234 B10R1.66 NC(=O)C#Cc1cccs1 Amb26378787 [1,0,1,0,0,0|1,0,1]=4 235 B10R1.66 NC(=O)CSc1cccs1 Amb4330204 [1,0,1,0,0,0|1,0,1]=4 236 B10R1.66 NC(=O)NCc1cccs1 Amb1106145 [1,0,1,0,0,0|2,0,0]=4 237 B10R1.66 NC(=O)NNc1nccs1 Amb25137442 [1,0,1,0,0,0|2,0,0]=4 238 B10R1.66 NC(=O)\C=C/c1ccoc1 Amb27493171 [1,0,1,0,0,0|1,1,0]=4 239 B10R1.66 NC(=O)\C=C\c1ccco1 Amb6387328 [1,0,1,0,0,0|1,1,0]=4 240 B10R1.66 NC(=O)\C=C\c1cccs1 Amb3429140 [1,0,1,0,0,0|1,0,0]=3 241 B10R1.66 NC(=O)\C=C\c1ccns1 Amb24558336 [1,0,1,0,0,0|2,0,0]=4 242 B10R1.66 NC(=O)\C=C\c1cscn1 Amb28370560 [1,0,1,0,0,0|2,0,0]=4 243 B10R1.66 O=C(Cl)\C=C\c1cccs1 Amb7173093 [1,0,1,0,0,0|2,0,0]=4 244 B10R1.66 O=C(Cl)\C=C\c1ccsc1 Amb8385105 [1,0,1,0,0,0|2,0,0]=4 245 B10R1.66 O=C(O)CNc1cccs1 Amb26516474 [1,0,1,0,0,0|1,0,1]=4 246 B10R1.66 O=C(O)CNc1ccsc1 Amb25322129 [1,0,1,0,0,0|1,0,1]=4 247 B10R1.66 O=C(O)\C=C/c1cccs1 Amb27658635 [1,0,1,0,0,0|2,0,0]=4 248 B10R1.66 O=C(O)\C=C/c1ccsc1 Amb10071559 [1,0,1,0,0,0|2,0,0]=4 249 B10R1.66 O=C(O)\C=C\c1cccs1 Amb24076486 [1,0,1,0,0,0|2,0,0]=4 250 B10R1.66 O=C(O)\C=C\c1cccs1 Amb33716246 [1,0,1,0,0,0|2,0,0]=4 251 B10R1.66 O=C(O)\C=C\c1ccsc1 Amb1154295 [1,0,1,0,0,0|2,0,0]=4 252 B10R1.66 O=C([O-])\C=C\c1ccsc1 Amb33512980 [1,0,1,0,0,0|2,0,0]=4 253 B10R1.5 N#Cc1ccsc1NC=O Amb27949195 [1,0,1,0,0,0|1,0,1]=4 254 B10R1.5 O=Cc1ccsc1\C=C\O Amb27963852 [1,0,1,0,0,0|1,0,1]=4 255 B10R1.176 C=CC1=CNC(=O)C(C)=C1 Amb23446846 [1,0,1,0,0,0|2,0,0]=4 256 B10R1.29 Cc1ccsc1\C=C\C=O Amb33136416 [1,0,1,0,0,0|2,0,0]=4 257 B10R1.29 O=C\C=C\c1sccc1Br Amb33242845 [1,0,1,0,0,0|2,0,0]=4 258 B10R1.29 O=C\C=C\c1sccc1Cl Amb27847772 [1,0,1,0,0,0|2,0,0]=4 259 B10R1.64 CC(=O)Nc1sccc1Br Amb9175394 [1,0,1,0,0,0|1,0,1]=4 260 B10R1.64 CC(=O)Nc1sccc1Cl Amb23400211 [1,0,1,0,0,0|1,0,1]=4 261 B10R1.64 CC(=O)Nc1sccc1I Amb23400212 [1,0,1,0,0,0|1,0,1]=4 262 B10R1.64 CC(=O)Oc1sccc1N Amb10071362 [1,0,1,0,0,0|1,0,1]=4 263 B10R1.64 NC(=O)Nc1ccsc1Cl Amb28049303 [1,0,1,0,0,0|2,0,0]=4 264 B10R1.64 Nc1ccsc1CC(=O)O Amb22499925 [1,0,1,0,0,0|1,0,1]=4 265 B10R1.64 Nc1sccc1CC(=O)O Amb18830628 [1,0,1,0,0,0|1,0,1]=4 266 B10R1.64 O=C(Cl)Nc1ccsc1Cl Amb35633343 [1,0,1,0,0,0|2,0,0]=4 267 B10R1.118 C=C1NC(=O)C(=C)NC1=O Amb25678592 [1,0,1,0,0,0|1,1,0]=4 268 B10R2.7 C1=CNC2=CCSC2=C1 Amb28318140 [2,0,0,0,0,0|1,0,1]=4 269 B10R2.7 c1ccc2sccc2c1 Amb2782006 [2,0,0,0,0,0|2,0,0]=4 270 B10R2.7 c1cnc2ccsc2c1 Amb10070404 [2,0,0,0,0,0|1,0,1]=4 271 B10R2.7 c1cnc2sccc2c1 Amb10070403 [2,0,0,0,0,0|1,0,1]=4 272 B10R2.7 c1cnc2sccc2n1 Amb19957744 [2,0,0,0,0,0|0,0,2]=4 273 B12R1.104 CC(=O)C(=O)Nc1ncc(C)s1 Amb27981419 [0,1,1,0,0,0|2,0,0]=4 274 B12R1.104 Cc1cc(NC(=O)C(N)=O)no1 Amb810967 [0,1,1,0,0,0|1,1,0]=4 275 B12R1.104 Cc1cc(NC(=O)C(N)=O)sn1 Amb28317412 [0,1,1,0,0,0|1,0,0]=3 276 B12R1.104 Cc1ccc(CC(=O)C(=O)O)s1 Amb9303749 [0,1,1,0,0,0|2,0,0]=4 277 B12R1.104 Cc1ccc(NC(=S)C(N)=O)s1 Amb28120027 [0,1,1,0,0,0|0,1,0]=3 278 B12R1.104 Cc1csc(CC(=O)C(=O)O)c1 Amb33427979 [0,1,1,0,0,0|2,0,0]=4 279 B12R1.104 Cc1csc(NC(=O)C(=O)O)n1 Amb9304026 [0,1,1,0,0,0|2,0,0]=4 280 B12R1.104 O=C(O)C(=O)Cc1cc(Br)cs1 Amb9270959 [0,1,1,0,0,0|2,0,0]=4 281 B12R1.104 O=C(O)C(=O)Cc1cc(Cl)cs1 Amb26873125 [0,1,1,0,0,0|2,0,0]=4 282 B12R1.104 O=C(O)C(=O)Cc1ccc(Br)s1 Amb6250478 [0,1,1,0,0,0|2,0,0]=4 283 B12R1.104 O=C(O)C(=O)Cc1ccc(Cl)s1 Amb9303745 [0,1,1,0,0,0|2,0,0]=4 284 B12R1.104 O=C(O)C(=O)Cc1csc(Br)c1 Amb26853498 [0,1,1,0,0,0|2,0,0]=4 285 B12R1.104 O=C(O)C(=O)Cc1csc(Cl)c1 Amb26540594 [0,1,1,0,0,0|2,0,0]=4 286 B12R1.104 O=C(O)C(=O)Nc1csc(Cl)c1 Amb28317598 [0,1,1,0,0,0|1,0,0]=3 287 B12R1.104 O=C(O)C(=O)Nc1ncc(Br)s1 Amb27196285 [0,1,1,0,0,0|2,0,0]=4 288 B12R1.108 CC(CN)C(=O)Nc1ccsc1 Amb28289215 [0,1,1,0,0,0|1,0,1]=4 289 B12R1.108 CCC(N)C(=O)Nc1ccsc1 Amb28281316 [0,1,1,0,0,0|1,0,1]=4 290 B12R1.108 CC[C@@H](N)C(=O)Nc1ccsc1 Amb27480400 [0,1,1,0,0,0|1,0,1]=4 291 B12R1.108 CC[C@H](N)C(=O)Nc1ccsc1 Amb27971778 [0,1,1,0,0,0|1,0,1]=4 292 B12R1.108 CNC(=O)C(=O)Nc1ccon1 Amb5483163 [0,1,1,0,0,0|1,1,0]=4 293 B12R1.108 CNC(=O)C(=O)Nc1nccs1 Amb1797238 [0,1,1,0,0,0|1,0,0]=3 294 B12R1.108 CNC(=O)C(=O)Nc1nncs1 Amb27950041 [0,1,1,0,0,0|2,0,0]=4 295 B12R1.108 COC(=O)C(=O)Nc1ccsc1 Amb27416715 [0,1,1,0,0,0|1,0,0]=3 296 B12R1.108 COC(=O)C(=O)Nc1cnsc1 Amb30016524 [0,1,1,0,0,0|2,0,0]=4 297 B12R1.108 COC(=O)C(=O)Nc1nccs1 Amb28367816 [0,1,1,0,0,0|2,0,0]=4 298 B12R1.108 C\C=C(\C)C(=O)Nc1ccsc1 Amb28064825 [0,1,1,0,0,0|2,0,0]=4 299 B12R1.108 NNC(=O)C(=O)Nc1nccs1 Amb6337028 [0,1,1,0,0,0|1,0,0]=3 300 B12R1.108 N\C(=N/O)C(=O)Nc1nccs1 Amb19664281 [0,1,1,0,0,0|1,0,1]=4 301 B12R1.120 CC(=O)C(=O)N(C)c1nccs1 Amb28453952 [0,1,1,0,0,0|2,0,0]=4 302 B12R1.120 O=C(O)C(=O)C(=O)c1cccs1 Amb31096970 [0,1,1,0,0,0|2,0,0]=4 303 B12R1.145 CC(Nc1ccsc1Cl)C(N)=O Amb28399726 [0,1,1,0,0,0|1,0,1]=4 304 B12R1.145 C[C@H](N)C(=O)Nc1ccsc1Cl Amb28383934 [0,1,1,0,0,0|1,0,1]=4 305 B12R1.145 Cc1ccsc1CC(=O)C(=O)O Amb1132072 [0,1,1,0,0,0|2,0,0]=4 306 B12R1.145 Cc1cscc1CC(=O)C(=O)O Amb33148719 [0,1,1,0,0,0|2,0,0]=4 307 B12R1.145 Cc1cscc1NC(=O)C(C)N Amb27778063 [0,1,1,0,0,0|1,0,1]=4 308 B12R1.145 O=C(O)C(=O)Cc1sccc1Br Amb25110409 [0,1,1,0,0,0|2,0,0]=4 309 B12R1.145 O=C(O)C(=O)Cc1sccc1Cl Amb24626447 [0,1,1,0,0,0|2,0,0]=4 310 B12R1.266 CC(C)(N)C(=O)Nc1cccs1 Amb25159983 [0,1,1,0,0,0|1,0,1]=4 311 B12R1.298 N#C\C(=C/c1cccs1)C(N)=O Amb2411641 [0,1,1,0,0,0|2,0,0]=4 312 B12R1.298 N#C\C(=C/c1ccsc1)C(N)=O Amb32789662 [0,1,1,0,0,0|2,0,0]=4 313 B12R1.298 N#C\C(=C\c1cccs1)C(N)=O Amb5795303 [0,1,1,0,0,0|2,0,0]=4 314 B12R1.289 CC(=O)Nc1ccsc1\C=C\Br Amb33135423 [0,1,1,0,0,0|2,0,0]=4 315 B12R1.289 CC(=O)Sc1ccsc1NC=O Amb27955994 [0,1,1,0,0,0|1,0,0]=3 316 B12R1.289 CC(=O)Sc1sccc1NC=O Amb28243908 [0,1,1,0,0,0|1,0,0]=3 317 B12R1.82 C=CC(=O)Nc1sccc1C#N Amb9480672 [0,1,1,0,0,0|1,0,1]=4 318 B12R1.318 C\C=C\C(=O)Nc1ccsc1Cl Amb27761299 [0,1,1,0,0,0|2,0,0]=4 319 B12R2.44 O=Cc1ccc2ccsc2c1 Amb18126339 [1,1,0,0,0,0|2,0,0]=4 320 B12R2.44 O=Cc1ccc2ccsc2n1 Amb18199793 [1,1,0,0,0,0|1,0,1]=4 321 B12R2.44 O=Cc1ccc2sccc2c1 Amb1995220 [1,1,0,0,0,0|2,0,0]=4 322 B12R2.44 O=Cc1ccc2sccc2n1 Amb18829270 [1,1,0,0,0,0|1,0,1]=4 323 B12R2.44 O=Cc1cnc2ccsc2c1 Amb18645861 [1,1,0,0,0,0|1,0,1]=4 324 B12R2.246 CC1=CC(=O)Nc2ccsc21 Amb29857469 [1,1,0,0,0,0|1,0,0]=3 325 B12R2.246 CC1=CC(=O)Nc2occc21 Amb28365531 [1,1,0,0,0,0|1,1,0]=4 326 B12R2.246 CC1=CC(=O)c2sccc2N1 Amb26962281 [1,1,0,0,0,0|2,0,0]=4 327 B12R2.246 NC1CC(=O)Nc2sccc21 Amb25922747 [1,1,0,0,0,0|1,0,1]=4 328 B12R2.246 O=C1C=C(Cl)c2ccsc2N1 Amb22500816 [1,1,0,0,0,0|1,0,0]=3 329 B12R2.246 O=C1C=C(Cl)c2sccc2N1 Amb23560707 [1,1,0,0,0,0|1,0,0]=3 330 B12R2.246 O=C1C=C(O)c2ccsc2N1 Amb21857124 [1,1,0,0,0,0|1,0,0]=3 331 B12R2.246 O=C1CC(=O)c2sccc2N1 Amb35727416 [1,1,0,0,0,0|1,0,1]=4 332 B12R2.246 O=C1NC(=O)c2ccsc2N1 Amb22411480 [1,1,0,0,0,0|2,0,0]=4 333 B12R2.246 O=C1NC(=O)c2sccc2N1 Amb18548684 [1,1,0,0,0,0|2,0,0]=4 334 B12R2.246 O=C1NC(=S)c2ccsc2N1 Amb28287690 [1,1,0,0,0,0|2,0,0]=4 335 B12R2.246 O=C1Nc2ccsc2C(=O)O1 Amb19267110 [1,1,0,0,0,0|2,0,0]=4 336 B12R2.246 O=C1Nc2sccc2C(=O)O1 Amb19514749 [1,1,0,0,0,0|2,0,0]=4 337 B12R2.612 Cn1ccc2c1C=CC(=O)N2 Amb27613140 [1,1,0,0,0,0|2,0,0]=4 338 B12R2.30 O=Cc1sc2sccc2c1Cl Amb33745992 [0,1,0,0,1,0|2,0,0]=4 339 B12R2.72 CCN1C(=O)Nc2sccc21 Amb27166548 [0,1,0,0,1,0|2,0,0]=4 340 B12R2.72 CNC1=C2SSC=C2NC1=O Amb27259479 [0,1,0,0,1,0|2,0,0]=4 341 B12R2.209 CC1(C)C(=O)Nc2ccsc21 Amb28365347 [0,1,0,0,1,0|1,0,1]=4 342 B12R2.591 Cc1csc2c1NC(=O)C2O Amb28322144 [0,1,0,0,1,0|0,0,2]=4 343 B12R2.2343 NC1C(=O)C(=O)c2sccc21 Amb28055838 [0,1,0,0,1,0|1,0,0]=3 344 B14R2.1128 O=CC1=C(O)Nc2ccccc2N1 Amb27265827 [0,1,0,0,0,1|1,0,1]=4 345 B14R2.1128 O=CC1=Cc2ccccc2NC1=O Amb18014582 [0,1,0,0,0,1|2,0,0]=4 346 B14R2.8188 CN1C(=O)C(=O)Nc2ccccc21 Amb19516760 [0,1,0,0,0,1|1,0,0]=3 347 B14R2.8188 CN1C(=O)C(=O)Nc2cccnc21 Amb21940098 [0,1,0,0,0,1|1,0,0]=3 348 B14R2.8188 CN1C(=O)C(=O)Nc2ccncc21 Amb27868476 [0,1,0,0,0,1|1,0,0]=3 349 B14R2.8188 CN1C(=O)C(=O)Nc2cncnc21 Amb27793471 [0,1,0,0,0,1|1,0,0]=3 350 B14R2.8188 CN1C(=O)C(=O)Nc2ncncc21 Amb24726973 [0,1,0,0,0,1|1,0,0]=3 351 B14R2.8188 NN1C(=O)C(=O)Nc2ccccc21 Amb25828466 [0,1,0,0,0,1|1,0,0]=3 352 B14R2.8188 O=C1Nc2ccccc2C(=O)C1=O Amb26519857 [0,1,0,0,0,1|2,0,0]=4 353 B14R2.8239 C=C1Nc2cc(C)ccc2NC1=O Amb25222560 [0,1,0,0,0,1|2,0,0]=4 354 B14R2.8239 C=C1Nc2ccc(C)cc2NC1=O Amb25996380 [0,1,0,0,0,1|2,0,0]=4 355 B14R2.8239 Cc1ccc2c(c1)NC(=O)C(=O)N2 Amb18043058 [0,1,0,0,0,1|1,0,0]=3 356 B14R2.8239 Cc1ccc2c(n1)NC(=O)C(=O)N2 Amb21937165 [0,1,0,0,0,1|1,0,0]=3 357 B14R2.8239 Cc1cnc2c(c1)NC(=O)C(=O)N2 Amb25125014 [0,1,0,0,0,1|1,0,0]=3 358 B14R2.8239 Nc1ccc2c(c1)NC(=O)C(=O)N2 Amb18038531 [0,1,0,0,0,1|1,0,0]=3 359 B14R2.8239 Nc1ccc2c(c1)NC(=O)C(=O)N2 Amb21955545 [0,1,0,0,0,1|1,0,0]=3 360 B14R2.8239 Nc1ncc2c(n1)NC(=O)C(=O)N2 Amb26880802 [0,1,0,0,0,1|1,0,0]=3 361 B14R2.8239 O=C1N=CC2=C(N1)NC(=O)C(=O)N2 Amb25224410 [0,1,0,0,0,1|1,0,0]=3 362 B14R2.8239 O=C1Nc2cc(Br)cnc2NC1=O Amb18043125 [0,1,0,0,0,1|1,0,0]=3 363 B14R2.8239 O=C1Nc2cc(Cl)cnc2NC1=O Amb25366002 [0,1,0,0,0,1|1,0,0]=3 364 B14R2.8239 O=C1Nc2ccc(Br)cc2NC1=O Amb18541037 [0,1,0,0,0,1|1,0,0]=3 365 B14R2.8239 O=C1Nc2ccc(Cl)cc2NC1=O Amb18043060 [0,1,0,0,0,1|1,0,0]=3 366 B14R2.8239 O=C1Nc2ccc(F)cc2NC1=O Amb18043059 [0,1,0,0,0,1|1,0,0]=3 367 B14R2.8239 O=C1Nc2ccc(I)cc2NC1=O Amb24488714 [0,1,0,0,0,1|1,0,0]=3 368 B14R2.8239 O=C1Nc2ccc(O)cc2NC1=O Amb18128049 [0,1,0,0,0,1|1,0,0]=3 369 B14R2.28472 Cc1ccnc2c1NC(=O)C(=O)N2 Amb28047800 [0,1,0,0,0,1|1,0,0]=3 370 B14R2.28472 Nc1cccc2c1NC(=O)C(=O)N2 Amb19813318 [0,1,0,0,0,1|1,0,0]=3 371 B14R2.28472 O=C1NC2=C(NC1=O)C(=O)NC=C2 Amb27152299 [0,1,0,0,0,1|1,0,0]=3 372 B14R2.28472 O=C1Nc2ccc[n+]([O-])c2NC1=O Amb27650448 [0,1,0,0,0,1|1,0,0]=3 373 B14R2.28472 O=C1Nc2cccc(O)c2NC1=O Amb22234954 [0,1,0,0,0,1|1,0,0]=3 374 B14R2.28472 O=C1Nc2cnc[n+]([O-])c2NC1=O Amb27799164 [0,1,0,0,0,1|1,0,0]=3 375 B14R2.28472 O=C1Nc2nccc(Cl)c2NC1=O Amb27625211 [0,1,0,0,0,1|1,0,0]=3 376 B14R2.28472 O=C1Nc2nccc(O)c2NC1=O Amb24751568 [0,1,0,0,0,1|1,0,0]=3 377 B14R2.82 O=Cc1cc2ccsc2cc1C=O Amb18129853 [0,2,0,0,0,0|2,0,0]=4 378 B14R2.624 O=C(O)C1=Cc2ccsc2NC1=O Amb18189567 [0,2,0,0,0,0|1,0,0]=3 379 B14R2.624 O=C(O)c1cc2ccsc2oc1=O Amb5720013 [0,2,0,0,0,0|2,0,0]=4 380 B14R2.3576 CCC1=C(O)c2sccc2NC1=O Amb35724061 [0,2,0,0,0,0|2,0,0]=4 381 B14R2.3576 N#CC1=C(N)c2ccsc2NC1=O Amb18129894 [0,2,0,0,0,0|2,0,0]=4 382 B14R2.5731 CC1=C(O)c2scc(C)c2NC1=O Amb30017078 [0,2,0,0,0,0|2,0,0]=4 383 B14R2.645 Cc1c(Br)sc2c1NC(=O)C(=O)N2 Amb27629382 [0,2,0,0,0,0|0,0,0]=2 384 B14R2.25731 O=C1NC2=C(NC1=O)C(=O)NC2=O Amb25974036 [0,2,0,0,0,0|2,0,0]=4 385 B14R2.38360 CCc1cc2c(s1)NC(=O)C(=O)N2 Amb26375006 [0,2,0,0,0,0|0,0,0]=2 386 B10R0.75 C\C=C\C=N\NC(=O)C(N)=O Amb27433991 [0,0,2,0,0,0|2,0,0]=4 387 B12R2.134 O=C1C=C(c2cccs2)C1=O Amb27432582 [0,0,1,1,0,0|2,0,0]=4 388 B12R2.252 NC(=O)c1cc2cscc2s1 Amb27459071 [0,0,1,1,0,0|1,1,0]=4 389 B12R2.252 NC(=O)c1cc2sccc2s1 Amb2766639 [0,0,1,1,0,0|1,1,0]=4 390 B12R2.18 O=C1N=C2C=CC=CN2C1=O Amb18528339 [0,0,1,1,0,0|1,0,1]=4 391 B12R2.18 O=C1NC2C=CC=CN2C1=O Amb27867362 [0,0,1,1,0,0|1,0,1]=4 392 B12R2.18 O=C1Nc2ccccc2C1=O Amb2721711 [0,0,1,1,0,0|2,0,0]=4 393 B12R2.18 O=C1Nc2ncccc2C1=O Amb10976067 [0,0,1,1,0,0|2,0,0]=4 394 B10R1.23 C=C(C(=O)O)c1cccs1 Amb17322162 [0,0,1,0,1,0|2,0,0]=4 395 B10R1.23 C=C(C(=O)O)c1ccsc1 Amb33428918 [0,0,1,0,1,0|2,0,0]=4 396 B10R1.23 C=C(C)C(=O)c1cccs1 Amb18065371 [0,0,1,0,1,0|2,0,0]=4 397 B10R1.23 CC(=O)C(=O)c1ccco1 Amb27861166 [0,0,1,0,1,0|1,1,0]=4 398 B10R1.23 CC(=O)C(=O)c1cccs1 Amb17399955 [0,0,1,0,1,0|1,0,0]=3 399 B10R1.23 CC(=O)C(=O)c1ccsc1 Amb27872018 [0,0,1,0,1,0|1,0,0]=3 400 B10R1.23 CC(C(N)=O)c1cccs1 Amb27228397 [0,0,1,0,1,0|1,0,1]=4 401 B10R1.23 CC(C(N)=O)c1ccsc1 Amb27197870 [0,0,1,0,1,0|1,0,1]=4 402 B10R1.23 CC(N)C(=O)c1cccs1 Amb3482945 [0,0,1,0,1,0|1,0,1]=4 403 B10R1.23 CC(N)C(=O)c1ccsc1 Amb24384735 [0,0,1,0,1,0|1,0,1]=4 404 B10R1.23 C[C@@H](N)C(=O)c1cccs1 Amb33131686 [0,0,1,0,1,0|1,0,1]=4 405 B10R1.23 C[C@@H](N)C(=O)c1ccsc1 Amb33131685 [0,0,1,0,1,0|1,0,1]=4 406 B10R1.23 C[C@H](N)C(=O)c1cccs1 Amb33131779 [0,0,1,0,1,0|1,0,1]=4 407 B10R1.23 C[C@H](N)C(=O)c1ccsc1 Amb33131778 [0,0,1,0,1,0|1,0,1]=4 408 B10R1.23 NC(=O)C(=O)c1ccco1 Amb9786661 [0,0,1,0,1,0|0,1,0]=3 409 B10R1.23 NC(=O)C(=O)c1cccs1 Amb28396525 [0,0,1,0,1,0|0,0,0]=2 410 B10R1.23 NC(=O)C(N)c1cccs1 Amb17334394 [0,0,1,0,1,0|1,0,1]=4 411 B10R1.23 NC(=O)C(O)c1ccsc1 Amb18799781 [0,0,1,0,1,0|0,0,2]=4 412 B10R1.23 NC(=S)C(=O)c1ccco1 Amb27845425 [0,0,1,0,1,0|0,2,0]=4 413 B10R1.23 NC(=S)C(=O)c1cccs1 Amb28061990 [0,0,1,0,1,0|0,1,0]=3 414 B10R1.23 O=C(Cl)C(=O)c1ccco1 Amb28126625 [0,0,1,0,1,0|1,1,0]=4 415 B10R1.23 O=C(O)C(=O)c1ccco1 Amb9786662 [0,0,1,0,1,0|1,1,0]=4 416 B10R1.23 O=C(O)C(=O)c1cccs1 Amb3940404 [0,0,1,0,1,0|1,0,0]=3 417 B10R1.23 O=C(O)C(=O)c1ccoc1 Amb2611500 [0,0,1,0,1,0|1,1,0]=4 418 B10R1.23 O=C(O)C(=O)c1ccsc1 Amb18644784 [0,0,1,0,1,0|1,0,0]=3 419 B10R1.23 O=C(O)C(=O)c1cncs1 Amb18830659 [0,0,1,0,1,0|2,0,0]=4 420 B10R1.23 O=C(O)C(=O)c1cnsc1 Amb18644892 [0,0,1,0,1,0|2,0,0]=4 421 B10R1.23 O=C(O)C(=O)c1cscn1 Amb18644891 [0,0,1,0,1,0|2,0,0]=4 422 B10R1.23 O=C([O-])C(=O)c1cccs1 Amb16232244 [0,0,1,0,1,0|1,0,0]=3 423 B10R1.23 O=C([O-])C(=O)c1ccsc1 Amb2611492 [0,0,1,0,1,0|1,0,0]=3 424 B10R1.149 C=CC(=O)c1ccsc1Br Amb29891897 [0,0,1,0,1,0|2,0,0]=4 425 B10R1.149 C=CC(=O)c1sccc1Br Amb25169346 [0,0,1,0,1,0|2,0,0]=4 426 B10R1.149 C=CC(=O)c1sccc1C Amb25097253 [0,0,1,0,1,0|2,0,0]=4 427 B10R1.149 C=CC(=O)c1sccc1Cl Amb27829277 [0,0,1,0,1,0|2,0,0]=4 428 B10R1.149 CNC(=O)c1ccsc1N Amb8867374 [0,0,1,0,1,0|2,0,0]=4 429 B10R1.149 CNC(=O)c1sccc1N Amb15701298 [0,0,1,0,1,0|2,0,0]=4 430 B10R1.149 COC(=O)c1ccsc1N Amb6384036 [0,0,1,0,1,0|2,0,0]=4 431 B10R1.149 COC(=O)c1sccc1N Amb535153 [0,0,1,0,1,0|2,0,0]=4 432 B10R1.149 Cc1ncsc1C(=O)C=O Amb27816606 [0,0,1,0,1,0|2,0,0]=4 433 B10R1.149 NCC(=O)c1sccc1N Amb28132869 [0,0,1,0,1,0|1,0,1]=4 434 B10R1.149 NNC(=O)c1sccc1N Amb2737574 [0,0,1,0,1,0|2,0,0]=4 435 B10R2.2 Brc1cc2ccsc2s1 Amb18768359 [1,0,0,0,1,0|2,0,0]=4 436 B10R2.2 Clc1cc2sccc2s1 Amb27250716 [1,0,0,0,1,0|2,0,0]=4 437 B10R2.2 Nc1cc2ccsc2s1 Amb18830848 [1,0,0,0,1,0|2,0,0]=4 438 B10R2.2 O=C1Cc2ccsc2C1 Amb18203007 [1,0,0,0,1,0|1,0,1]=4 439 B10R2.2 O=C1Cc2sccc2S1 Amb27842152 [1,0,0,0,1,0|1,0,1]=4 440 B10R2.2 O=C1Nc2ccsc2N1 Amb22899034 [1,0,0,0,1,0|0,0,0]=2 441 B10R2.2 Oc1cc2sccc2s1 Amb24745644 [1,0,0,0,1,0|1,0,1]=4 442 B10R2.32 Brc1csc2ccsc12 Amb22500829 [1,0,0,0,1,0|2,0,0]=4 443 B10R2.32 Ic1csc2ccsc12 Amb28061639 [1,0,0,0,1,0|2,0,0]=4 444 B10R2.32 Nc1csc2ccsc12 Amb18143692 [1,0,0,0,1,0|2,0,0]=4 445 B10R2.32 Nc1csc2sccc12 Amb18830849 [1,0,0,0,1,0|2,0,0]=4 446 B10R2.32 O=C1CCc2ccsc21 Amb18203008 [1,0,0,0,1,0|1,0,1]=4 447 B10R2.32 O=C1CCc2sccc21 Amb2232897 [1,0,0,0,1,0|1,0,1]=4 448 B10R2.32 O=C1CNc2ccoc21 Amb18832975 [1,0,0,0,1,0|0,1,1]=4 449 B10R2.32 O=C1CNc2ccsc21 Amb18202968 [1,0,0,0,1,0|0,0,1]=3 450 B10R2.32 O=C1CNc2occc21 Amb18832976 [1,0,0,0,1,0|0,1,1]=4 451 B10R2.32 O=C1CNc2sccc21 Amb18202969 [1,0,0,0,1,0|0,0,1]=3 452 B10R2.32 O=C1NCc2ccsc21 Amb18202967 [1,0,0,0,1,0|2,0,0]=4 453 B10R2.32 O=C1NNc2sccc21 Amb28061946 [1,0,0,0,1,0|1,0,0]=3 454 B12R1.43 CC(=O)C(=O)Nc1ccccc1 Amb2383839 [0,0,1,0,0,1|2,0,0]=4 455 B12R1.43 CC(=O)C(=O)Nc1cccnc1 Amb28319843 [0,0,1,0,0,1|2,0,0]=4 456 B12R1.43 NC(=O)C(=O)Cc1ccccc1 Amb28119010 [0,0,1,0,0,1|2,0,0]=4 457 B12R1.43 NC(=O)C(=O)Nc1ccccc1 Amb1859924 [0,0,1,0,0,1|1,0,0]=3 458 B12R1.43 NC(=O)C(=O)Oc1ccccc1 Amb26619370 [0,0,1,0,0,1|2,0,0]=4 459 B12R1.43 NC(=O)C(=S)Nc1ccccc1 Amb6316935 [0,0,1,0,0,1|1,1,0]=4 460 B12R1.43 NC(=O)C(=S)Nc1ccccn1 Amb6870743 [0,0,1,0,0,1|1,1,0]=4 461 B12R1.43 O=C(O)C(=O)Nc1ccccc1 Amb838962 [0,0,1,0,0,1|2,0,0]=4 462 B12R1.43 O=C(O)C(=O)Nc1ccccn1 Amb9303802 [0,0,1,0,0,1|2,0,0]=4 463 B12R1.43 O=C(O)C(=O)Nc1cccnc1 Amb9303807 [0,0,1,0,0,1|2,0,0]=4 464 B12R1.43 O=C(O)C(=O)Nc1ccncc1 Amb9303811 [0,0,1,0,0,1|2,0,0]=4 465 B12R1.43 O=C(O)C(=O)Nc1ncccn1 Amb9303944 [0,0,1,0,0,1|2,0,0]=4 466 B12R1.260 CC(=O)CC(=O)Nc1ccsc1 Amb27223330 [0,0,1,0,0,1|1,0,0]=3 467 B12R1.260 CC(=O)CC(=O)Nc1cnsc1 Amb35707378 [0,0,1,0,0,1|2,0,0]=4 468 B12R1.260 CC(=O)CC(=O)Nc1nccs1 Amb6337448 [0,0,1,0,0,1|2,0,0]=4 469 B12R1.260 CC(=O)NC(=O)Cc1ccsc1 Amb26926558 [0,0,1,0,0,1|2,0,0]=4 470 B12R1.260 CC(=O)NC(=O)Nc1nccs1 Amb27856100 [0,0,1,0,0,1|2,0,0]=4 471 B12R1.260 CC(=O)NC(=S)Nc1ccsc1 Amb28241362 [0,0,1,0,0,1|1,1,0]=4 472 B12R1.260 N=C(N)NC(=N)Nc1ccsc1 Amb27801930 [0,0,1,0,0,1|2,0,0]=4 473 B12R1.260 NC(=O)CC(=O)Nc1ccon1 Amb28283562 [0,0,1,0,0,1|1,1,0]=4 474 B12R1.260 NC(=O)CC(=O)Nc1ccsc1 Amb27977315 [0,0,1,0,0,1|0,0,0]=2 475 B12R1.260 NC(=O)CC(=O)Nc1cnoc1 Amb27664798 [0,0,1,0,0,1|1,1,0]=4 476 B12R1.260 NC(=O)NC(=O)Cc1ccco1 Amb27668980 [0,0,1,0,0,1|1,1,0]=4 477 B12R1.260 NC(=S)CC(=O)Nc1ccsc1 Amb27971779 [0,0,1,0,0,1|0,1,0]=3 478 B12R1.260 NC(=S)CC(=O)Nc1cnsc1 Amb30016733 [0,0,1,0,0,1|1,1,0]=4 479 B12R1.260 NC(=S)CC(=O)Nc1nccs1 Amb1120314 [0,0,1,0,0,1|1,1,0]=4 480 B12R1.260 O=C(O)CC(=O)Nc1cnsc1 Amb35582448 [0,0,1,0,0,1|2,0,0]=4 481 B12R1.260 O=C(O)CC(=O)Nc1nccs1 Amb7969633 [0,0,1,0,0,1|2,0,0]=4 482 B12R1.264 C=C(Cl)C(=O)NCc1ccsc1 Amb28288554 [0,0,1,0,0,1|2,0,0]=4 483 B12R1.264 CC(=O)C(=O)NCc1ccco1 Amb17400230 [0,0,1,0,0,1|1,1,0]=4 484 B12R1.264 CC(CNc1ccsc1)C(N)=O Amb27830326 [0,0,1,0,0,1|1,0,1]=4 485 B12R1.264 CC(N)C(=O)NCc1ccsc1 Amb26373623 [0,0,1,0,0,1|1,0,1]=4 486 B12R1.264 C[C@@H](N)C(=O)NCc1cccs1 Amb18527763 [0,0,1,0,0,1|1,0,1]=4 487 B12R1.264 C[C@@H](N)C(=O)NCc1ccsc1 Amb25921759 [0,0,1,0,0,1|1,0,1]=4 488 B12R1.264 C[C@H](N)C(=O)NCc1ccsc1 Amb22268617 [0,0,1,0,0,1|1,0,1]=4 489 B12R1.264 NC(=O)C(N)CNc1ccsc1 Amb27788980 [0,0,1,0,0,1|1,0,1]=4 490 B12R1.264 O=C(O)C(=O)CCc1ccsc1 Amb33322019 [0,0,1,0,0,1|2,0,0]=4 491 B12R1.264 O=C(O)C(=O)NCc1ccco1 Amb9238897 [0,0,1,0,0,1|1,1,0]=4 492 B12R1.264 O=C(O)C(=O)NCc1ccns1 Amb35730856 [0,0,1,0,0,1|2,0,0]=4 493 B12R1.264 O=C(O)C(=O)NCc1ccoc1 Amb27229668 [0,0,1,0,0,1|1,1,0]=4 494 B12R1.264 O=C(O)C(=O)NCc1ccsc1 Amb28067357 [0,0,1,0,0,1|1,0,0]=3 495 B12R1.264 O=C(O)C(=O)NCc1cncs1 Amb25842941 [0,0,1,0,0,1|2,0,0]=4 496 B12R1.264 O=C(O)C(=O)NCc1cscn1 Amb24483507 [0,0,1,0,0,1|2,0,0]=4 497 B12R1.264 O=C(O)C(=O)\C=C\c1cccs1 Amb445455 [0,0,1,0,0,1|2,0,0]=4 498 B12R1.278 O=CNc1cccc(NC=O)c1 Amb27781104 [0,0,1,0,0,1|1,0,0]=3 499 B12R1.50 C=CC(=O)Nc1cccc(N)c1 Amb24740871 [0,0,1,0,0,1|2,0,0]=4 500 B12R1.50 C=CC(=O)Nc1cccc(N)n1 Amb28252453 [0,0,1,0,0,1|2,0,0]=4 501 B12R1.50 C=CC(=O)Nc1ccnc(N)c1 Amb35713240 [0,0,1,0,0,1|2,0,0]=4 502 B12R1.353 C=CC(=O)NCc1ccsc1Cl Amb27862757 [0,0,1,0,0,1|2,0,0]=4 503 B12R1.353 C=CC(=O)NCc1sccc1Br Amb27398073 [0,0,1,0,0,1|2,0,0]=4 504 B12R2.24 O=C1C=Cc2ccccc2N1 Amb18546039 [1,0,0,0,0,1|2,0,0]=4 505 B12R2.24 O=C1C=Cc2cccnc2N1 Amb22001403 [1,0,0,0,0,1|2,0,0]=4 506 B12R2.24 O=C1C=Cc2ccncc2N1 Amb22493786 [1,0,0,0,0,1|2,0,0]=4 507 B12R2.24 O=C1C=Cc2cnccc2N1 Amb21618693 [1,0,0,0,0,1|2,0,0]=4 508 B12R2.24 O=C1C=Cc2ncccc2N1 Amb21856966 [1,0,0,0,0,1|2,0,0]=4 509 B12R2.24 O=C1C=Cc2nccnc2N1 Amb19957771 [1,0,0,0,0,1|2,0,0]=4 510 B12R2.24 O=C1C=Cc2ncncc2N1 Amb21811941 [1,0,0,0,0,1|2,0,0]=4 511 B12R2.24 O=C1C=Nc2ccccc2N1 Amb18372452 [1,0,0,0,0,1|1,0,1]=4 512 B12R2.24 O=C1C=Nc2cccnc2N1 Amb20461570 [1,0,0,0,0,1|1,0,1]=4 513 B12R2.24 O=C1C=Nc2ccncc2N1 Amb18016830 [1,0,0,0,0,1|1,0,1]=4 514 B12R2.24 O=C1C=Nc2cncnc2N1 Amb25314156 [1,0,0,0,0,1|1,0,1]=4 515 B12R2.24 O=C1CNc2ccccc2N1 Amb6355388 [1,0,0,0,0,1|1,0,1]=4 516 B12R2.24 O=C1CNc2ccncc2N1 Amb18025377 [1,0,0,0,0,1|1,0,1]=4 517 B12R2.24 O=C1CNc2cnccc2N1 Amb18202157 [1,0,0,0,0,1|1,0,1]=4 518 B12R2.24 O=C1CNc2ncccc2N1 Amb17948510 [1,0,0,0,0,1|1,0,1]=4 519 B12R2.24 O=C1CNc2ncncc2N1 Amb24091942 [1,0,0,0,0,1|1,0,1]=4 520 B14R2.738 CC1=CC(=O)Nc2ccccc2N1 Amb17912774 [0,0,0,0,0,2|2,0,0]=4 521 B14R2.738 CC1=CC(=O)Nc2cccnc2N1 Amb28401418 [0,0,0,0,0,2|2,0,0]=4 522 B14R2.738 CC1=CC(=O)Nc2ccncc2N1 Amb28411441 [0,0,0,0,0,2|2,0,0]=4 523 B14R2.738 CC1=CC(=O)Nc2cncnc2N1 Amb28428620 [0,0,0,0,0,2|2,0,0]=4 524 B14R2.738 O=C1CC(=O)Nc2ccccc2N1 Amb1678046 [0,0,0,0,0,2|1,0,0]=3