0 B12R1.130 CC(=O)CSCc1occc1C Amb32987863 [0,0,0,0,0,0|3,1,0]=4 1 B12R1.130 CC(=O)NCCc1scnc1C Amb27974316 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.130 CC(=O)NCCn1cnnc1C Amb27981484 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.130 CC(=O)NOCc1sccc1Cl Amb28188058 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.130 CC(=O)N\N=C\c1sccc1C Amb3373298 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.130 CC(=O)N\N=C\c1scnc1C Amb27802153 [0,0,0,0,0,0|2,0,1]=3 6 B12R1.130 CC(=O)OCCc1scnc1C Amb6356286 [0,0,0,0,0,0|0,0,0]=0 7 B12R1.130 CC(C)=CCCc1ccnn1C Amb35582912 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.130 CC(C)=CCCc1ccsc1C Amb35582925 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.130 CC(C)=CCCc1ncnn1C Amb35582916 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.130 CC(C)=CCCc1sccc1Br Amb35582930 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.130 CC(C)=CCCc1sccc1C Amb35582926 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.130 CC(C)=CCCc1sccc1Cl Amb35582927 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.130 CC(C)=CCCc1scnc1C Amb35623550 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.130 CC(C)=CCCn1ccnc1C Amb35744289 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.130 Cc1ccoc1CCCC(=O)O Amb33343124 [0,0,0,0,0,0|3,1,0]=4 16 B12R1.130 Cc1ccsc1CCCC(=O)O Amb19019575 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.130 Cc1ccsc1CCN=C(N)N Amb24473485 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.130 Cc1ccsc1CNCC(=O)O Amb9202474 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.130 Cc1nccn1CCCC(=O)O Amb13949101 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.130 Cc1nccn1CCCC(=O)O Amb2721882 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.130 Cc1nccn1CCNC(=O)Cl Amb35625890 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.130 Cc1nccn1CCNC(N)=O Amb28076586 [0,0,0,0,0,0|4,0,0]=4 23 B12R1.130 Cc1nccn1CCOC(=O)Cl Amb33297119 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.130 Cc1ncnn1CCCC(=O)O Amb18254481 [0,0,0,0,0,0|4,0,0]=4 25 B12R1.130 Cc1ncoc1CCCC(=O)O Amb18826176 [0,0,0,0,0,0|2,1,0]=3 26 B12R1.130 Cc1ncsc1CCCC(=O)O Amb19075245 [0,0,0,0,0,0|2,0,0]=2 27 B12R1.130 Cc1ncsc1CCNC(=N)N Amb27785655 [0,0,0,0,0,0|3,0,0]=3 28 B12R1.130 Cc1ncsc1CCNC(=O)Cl Amb35633403 [0,0,0,0,0,0|2,0,0]=2 29 B12R1.130 Cc1ncsc1CCOC(=O)Cl Amb33297005 [0,0,0,0,0,0|1,0,0]=1 30 B12R1.130 Cc1ncsc1CCO[N+](=O)[O-] Amb32670735 [0,0,0,0,0,0|2,0,0]=2 31 B12R1.130 Cc1ncsc1CNCC(C)C Amb19007272 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.130 Cc1ncsc1CNCC(C)O Amb33363101 [0,0,0,0,0,0|2,0,2]=4 33 B12R1.130 Cc1ncsc1COCC(=O)O Amb31157069 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.130 Cc1occc1CCCC(=O)O Amb33274353 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.130 Cn1ccnc1CCOC(=O)Cl Amb33297368 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.130 Cn1nccc1CCCC(=O)O Amb32954679 [0,0,0,0,0,0|4,0,0]=4 37 B12R1.130 Cn1nccc1CCNC(=O)Cl Amb35633505 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.130 Cn1nccc1CCOC(=O)Cl Amb33297377 [0,0,0,0,0,0|3,0,0]=3 39 B12R1.130 Cn1ncnc1CCNC(N)=O Amb27399274 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.130 Cn1nncc1CCOC(=O)Cl Amb33297246 [0,0,0,0,0,0|4,0,0]=4 41 B12R1.130 O=C(Cl)OCCc1sccc1Br Amb33297147 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.130 O=C(O)CCCc1sccc1Br Amb33451634 [0,0,0,0,0,0|4,0,0]=4 43 B12R1.130 O=C(O)CCCc1sccc1Cl Amb33390591 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.172 CC(=O)CCCc1ccco1 Amb17232099 [1,0,0,0,0,0|2,1,0]=4 45 B11R1.172 CC(=O)CCCc1cccs1 Amb17232678 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.172 CC(=O)CCCc1ccoc1 Amb28080133 [1,0,0,0,0,0|3,0,0]=4 47 B11R1.172 CC(=O)CCCc1ccsc1 Amb27492050 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.172 CC(=O)CCCc1nccs1 Amb27492117 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.172 CC(=O)CCCn1cncn1 Amb9659591 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.172 CC(=O)NCCc1ccco1 Amb8336373 [1,0,0,0,0,0|2,1,0]=4 51 B11R1.172 CC(=O)NCCc1ccoc1 Amb22643451 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.172 CC(=O)NCCn1cncn1 Amb28065613 [1,0,0,0,0,0|3,0,0]=4 53 B11R1.172 CC(=O)OCCc1ccco1 Amb27272289 [1,0,0,0,0,0|1,1,0]=3 54 B11R1.172 CC(=O)OCCc1cccs1 Amb24756179 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.172 CC(=O)OCCc1cscn1 Amb27989529 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.172 CC(=O)OCSc1cccs1 Amb27270358 [1,0,0,0,0,0|2,0,0]=3 57 B11R1.172 CC(=O)OCSc1nccs1 Amb27270360 [1,0,0,0,0,0|3,0,0]=4 58 B11R1.172 CC(=O)OCSc1nncs1 Amb27270361 [1,0,0,0,0,0|2,0,0]=3 59 B11R1.172 CC(C)=CCCc1cccs1 Amb30023890 [1,0,0,0,0,0|3,0,0]=4 60 B11R1.172 CC(C)=CCCc1cncs1 Amb35623551 [1,0,0,0,0,0|2,0,0]=3 61 B11R1.172 NC(=O)CCCc1cccs1 Amb8858354 [1,0,0,0,0,0|3,0,0]=4 62 B11R1.172 NC(=O)NCCc1cccs1 Amb1089616 [1,0,0,0,0,0|3,0,0]=4 63 B11R1.172 O=C(Cl)NCCc1cccs1 Amb35625498 [1,0,0,0,0,0|3,0,0]=4 64 B11R1.172 O=C(Cl)OCCc1cccs1 Amb27269565 [1,0,0,0,0,0|2,0,0]=3 65 B11R1.172 O=C(Cl)OCCc1ccoc1 Amb33297070 [1,0,0,0,0,0|3,0,0]=4 66 B11R1.172 O=C(Cl)OCCc1ccsc1 Amb27989801 [1,0,0,0,0,0|3,0,0]=4 67 B11R1.172 O=C(Cl)OCCn1ccnc1 Amb33297144 [1,0,0,0,0,0|3,0,0]=4 68 B11R1.172 O=C(Cl)OCCn1cncn1 Amb33297273 [1,0,0,0,0,0|3,0,0]=4 69 B11R1.172 O=C(O)CCCc1cccs1 Amb1152340 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.172 O=C(O)CCCc1cnco1 Amb18200538 [1,0,0,0,0,0|2,1,0]=4 71 B11R1.172 O=C(O)CCCc1cncs1 Amb18198607 [1,0,0,0,0,0|2,0,0]=3 72 B11R1.172 O=C(O)COCc1cncs1 Amb27986318 [1,0,0,0,0,0|3,0,0]=4 73 B11R1.172 O=C([O-])CCCc1cccs1 Amb33513078 [1,0,0,0,0,0|3,0,0]=4 74 B11R1.180 C=CCNCc1scnc1C Amb27266602 [1,0,0,0,0,0|2,0,1]=4 75 B11R1.180 C=CCSCc1scnc1C Amb28386989 [1,0,0,0,0,0|2,0,1]=4 76 B11R1.180 CCCNCc1scnc1C Amb9214734 [1,0,0,0,0,0|2,0,1]=4 77 B11R1.180 CCCSCc1scnc1C Amb27270526 [1,0,0,0,0,0|2,0,1]=4 78 B11R1.180 CCNCCc1sccc1C Amb27670956 [1,0,0,0,0,0|2,0,1]=4 79 B11R1.180 CCOCCc1scnc1C Amb8629070 [1,0,0,0,0,0|0,0,1]=2 80 B11R1.180 CCONCc1snnc1C Amb27491286 [1,0,0,0,0,0|2,0,1]=4 81 B11R1.180 CCSCCc1scnc1C Amb27988885 [1,0,0,0,0,0|0,1,1]=3 82 B11R1.180 COCCCc1sccc1C Amb27266496 [1,0,0,0,0,0|3,0,0]=4 83 B11R1.180 Cc1ccoc1CCCC=O Amb33343118 [1,0,0,0,0,0|2,1,0]=4 84 B11R1.180 Cc1ccsc1CCCC=O Amb18126559 [1,0,0,0,0,0|2,0,0]=3 85 B11R1.180 Cc1ccsc1CCN=C=O Amb33203329 [1,0,0,0,0,0|2,0,1]=4 86 B11R1.180 Cc1nccn1CCNC=O Amb28422177 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.180 Cc1ncsc1CCCC=O Amb33272495 [1,0,0,0,0,0|1,0,0]=2 88 B11R1.180 Cc1ncsc1CCCCBr Amb26069627 [1,0,0,0,0,0|2,0,1]=4 89 B11R1.180 Cc1ncsc1CCCCCl Amb25386245 [1,0,0,0,0,0|2,0,1]=4 90 B11R1.180 Cc1ncsc1CCCCN Amb18312664 [1,0,0,0,0,0|2,0,1]=4 91 B11R1.180 Cc1ncsc1CCN=C=O Amb25269181 [1,0,0,0,0,0|1,0,1]=3 92 B11R1.180 Cc1ncsc1CCN=[N+]=[N-] Amb18185568 [1,0,0,0,0,0|3,0,0]=4 93 B11R1.180 Cc1ncsc1CCOC=O Amb22234293 [1,0,0,0,0,0|0,0,0]=1 94 B11R1.180 Cc1occc1CCCC=O Amb33274348 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.180 Cn1nccc1CCCC=O Amb24761835 [1,0,0,0,0,0|3,0,0]=4 96 B11R1.180 Cn1ncnc1CCCC=O Amb27987876 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.180 O=CCCCc1sccc1Br Amb26076145 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.180 O=CCCCc1sccc1Cl Amb27001750 [1,0,0,0,0,0|3,0,0]=4 99 B13R1.103 CCc1ccsc1CCCC(=O)O Amb32729040 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.168 CC(=O)NCC(=O)c1scnc1C Amb27772634 [0,1,0,0,0,0|1,0,1]=3 101 B13R1.168 Cc1ncoc1C(O)CCC(=O)O Amb18822588 [0,1,0,0,0,0|2,1,0]=4 102 B13R1.168 Cc1ncsc1C(N)CCC(=O)O Amb32876345 [0,1,0,0,0,0|2,0,0]=3 103 B13R1.169 Cc1ccsc1CCC(C)C(=O)O Amb33202902 [0,1,0,0,0,0|3,0,0]=4 104 B13R1.169 Cc1ncsc1CCC(C)C(=O)O Amb18332326 [0,1,0,0,0,0|2,0,0]=3 105 B13R1.169 Cc1ncsc1CCC(N)C(=O)O Amb33036731 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.169 Cc1ncsc1CCC(N)C(N)=O Amb33065817 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.169 Cc1ncsc1CC[C@@H](N)C(=O)O Amb33065631 [0,1,0,0,0,0|2,0,0]=3 108 B13R1.169 Cc1ncsc1CC[C@H](N)C(=O)O Amb32862467 [0,1,0,0,0,0|2,0,0]=3 109 B13R1.195 Cc1ncsc1CCOS(C)(=O)=O Amb28044771 [0,1,0,0,0,0|1,0,0]=2 110 B13R1.599 C#CC(=O)NCCc1sccc1C Amb28382436 [0,1,0,0,0,0|2,0,1]=4 111 B13R1.599 C#CC(=O)NCCc1scnc1C Amb35709157 [0,1,0,0,0,0|1,0,1]=3 112 B13R1.599 CCC(=O)N\N=C\c1scnc1C Amb28256677 [0,1,0,0,0,0|2,0,1]=4 113 B13R1.599 CNC(=O)NCCc1ncnn1C Amb28398784 [0,1,0,0,0,0|3,0,0]=4 114 B13R1.599 CNC(=O)NCCc1sccc1C Amb28282450 [0,1,0,0,0,0|2,0,0]=3 115 B13R1.599 CNC(=O)NCCc1scnc1C Amb27491158 [0,1,0,0,0,0|1,0,0]=2 116 B13R1.599 COC(=O)N\N=C\c1scnc1C Amb27586328 [0,1,0,0,0,0|2,0,1]=4 117 B13R1.599 Cc1ncsc1CCNC(=S)NN Amb27491120 [0,1,0,0,0,0|2,1,0]=4 118 B13R1.599 Cc1ncsc1\C=N\NC(=O)CO Amb27458640 [0,1,0,0,0,0|2,0,1]=4 119 B13R1.3485 CC(=O)NOCc1sc(C)nc1C Amb27981374 [0,1,0,0,0,0|2,0,0]=3 120 B13R1.3485 CC(=O)OCCc1sc(Cl)nc1C Amb24053881 [0,1,0,0,0,0|0,0,0]=1 121 B13R1.3485 CC(=O)OCCc1sc(F)nc1C Amb24053879 [0,1,0,0,0,0|0,0,0]=1 122 B13R1.3485 CC(=O)OCCc1sc(N)nc1C Amb18130709 [0,1,0,0,0,0|0,0,0]=1 123 B13R1.3485 Cc1nc(C)c(CCCC(=O)O)o1 Amb18192138 [0,1,0,0,0,0|2,1,0]=4 124 B13R1.3485 Cc1nc(C)c(CCCC(=O)O)s1 Amb18187689 [0,1,0,0,0,0|2,0,0]=3 125 B13R1.3485 Cc1nc(C)c(CCNC(N)=O)s1 Amb27260130 [0,1,0,0,0,0|2,0,0]=3 126 B13R1.3485 Cc1nc(C)c(CONC(N)=O)s1 Amb27982779 [0,1,0,0,0,0|3,0,0]=4 127 B13R1.3485 Cc1nc(N)sc1CCCC(=O)O Amb32430156 [0,1,0,0,0,0|2,0,0]=3 128 B13R2.144 Cc1ccoc1C2CNC(=O)C2 Amb25308814 [0,0,0,1,0,0|2,1,0]=4 129 B13R2.144 Cc1ccoc1C2COC(=O)N2 Amb33342800 [0,0,0,1,0,0|2,1,0]=4 130 B13R2.144 Cc1ccsc1C2CC(=O)CO2 Amb35721885 [0,0,0,1,0,0|3,0,0]=4 131 B13R2.144 Cc1ccsc1C2CC(=O)NN2 Amb35701070 [0,0,0,1,0,0|3,0,0]=4 132 B13R2.144 Cc1ccsc1C2CNC(=O)C2 Amb27159961 [0,0,0,1,0,0|2,0,0]=3 133 B13R2.144 Cc1ccsc1C2CNC(=O)O2 Amb33202615 [0,0,0,1,0,0|3,0,0]=4 134 B13R2.144 Cc1ccsc1C2COC(=O)N2 Amb27454666 [0,0,0,1,0,0|2,0,0]=3 135 B13R2.144 Cc1ccsc1[C@@H]2COC(=O)N2 Amb27166653 [0,0,0,1,0,0|2,0,0]=3 136 B13R2.144 Cc1ccsc1[C@H]2CNC(=O)N2 Amb27879809 [0,0,0,1,0,0|3,0,0]=4 137 B13R2.144 Cc1ncsc1C2=CC(=O)CC2 Amb30027109 [0,0,0,1,0,0|1,0,2]=4 138 B13R2.144 Cc1ncsc1C2CCC(=O)C2 Amb30027110 [0,0,0,1,0,0|1,0,0]=2 139 B13R2.144 Cc1ncsc1C2CCC(Br)C2 Amb35632704 [0,0,0,1,0,0|2,0,1]=4 140 B13R2.144 Cc1ncsc1C2CCC(Cl)C2 Amb35632702 [0,0,0,1,0,0|2,0,1]=4 141 B13R2.144 Cc1ncsc1C2CCC(N)C2 Amb29878276 [0,0,0,1,0,0|2,0,1]=4 142 B13R2.144 Cc1ncsc1C2CCC(O)C2 Amb35590268 [0,0,0,1,0,0|1,0,2]=4 143 B13R2.144 Cc1ncsc1C2CNC(=O)C2 Amb24350582 [0,0,0,1,0,0|1,0,0]=2 144 B13R2.144 Cc1ncsc1C2CNC(=O)O2 Amb33271218 [0,0,0,1,0,0|2,0,0]=3 145 B13R2.144 Cc1ncsc1C2COC(=O)N2 Amb33272490 [0,0,0,1,0,0|1,0,0]=2 146 B13R2.144 Cc1nnsc1C2CC(=O)CO2 Amb35719313 [0,0,0,1,0,0|3,0,0]=4 147 B13R2.144 Cc1nnsc1C2CC(=O)NN2 Amb30010418 [0,0,0,1,0,0|3,0,0]=4 148 B13R2.144 Cc1nnsc1C2COC(=O)N2 Amb27443907 [0,0,0,1,0,0|2,0,0]=3 149 B13R2.144 Cc1occc1C2CNC(=O)C2 Amb28346741 [0,0,0,1,0,0|3,0,0]=4 150 B13R2.144 Cc1occc1C2COC(=O)N2 Amb33456785 [0,0,0,1,0,0|3,0,0]=4 151 B13R2.144 Cc1sccc1C2COC(=O)N2 Amb27642260 [0,0,0,1,0,0|3,0,0]=4 152 B13R2.144 Cn1nccc1C2CCC(=O)C2 Amb25265462 [0,0,0,1,0,0|3,0,0]=4 153 B13R2.144 Cn1nccc1C2CNC(=O)C2 Amb27639652 [0,0,0,1,0,0|3,0,0]=4 154 B13R2.144 Cn1nccc1C2COC(=O)N2 Amb33456810 [0,0,0,1,0,0|3,0,0]=4 155 B13R2.144 Cn1ncnc1C2CCC(=O)C2 Amb27171770 [0,0,0,1,0,0|3,0,0]=4 156 B13R2.144 O=C1CC(c2sccc2Br)CN1 Amb33481367 [0,0,0,1,0,0|3,0,0]=4 157 B13R2.144 O=C1CC(c2sccc2Cl)CN1 Amb33406896 [0,0,0,1,0,0|3,0,0]=4 158 B13R2.144 O=C1NC(c2sccc2Br)CO1 Amb26570285 [0,0,0,1,0,0|3,0,0]=4 159 B13R2.144 O=C1NC(c2sccc2Cl)CO1 Amb27970515 [0,0,0,1,0,0|3,0,0]=4 160 B13R2.144 O=C1N[C@@H](c2sccc2Br)CO1 Amb27664275 [0,0,0,1,0,0|3,0,0]=4 161 B13R2.144 O=C1N[C@H](c2sccc2Cl)CO1 Amb28203506 [0,0,0,1,0,0|3,0,0]=4 162 B13R2.430 CC(=O)C1C=Cc2scnc2C1 Amb27409484 [0,0,0,1,0,0|1,0,2]=4 163 B13R2.430 CC(=O)N1CCc2sccc2C1 Amb8334044 [0,0,0,1,0,0|2,0,0]=3 164 B13R2.430 NC(=O)N1CCc2sccc2C1 Amb1128375 [0,0,0,1,0,0|3,0,0]=4 165 B13R2.430 O=C(Cl)N1CCc2sccc2C1 Amb26940629 [0,0,0,1,0,0|3,0,0]=4 166 B13R2.430 O=C(O)C1CCc2sccc2C1 Amb18823658 [0,0,0,1,0,0|3,0,0]=4 167 B13R2.430 O=C(O)C1CCc2snnc2C1 Amb8009543 [0,0,0,1,0,0|3,0,0]=4 168 B13R2.543 O=C(O)CC1Cc2ccsc2C1 Amb18823671 [0,0,0,1,0,0|3,0,0]=4 169 B13R2.3437 Cc1ccsc1C2CC2C(=O)O Amb9677115 [0,0,0,1,0,0|3,0,0]=4 170 B13R2.3437 Cc1ccsc1C2CC2C(N)=O Amb28198425 [0,0,0,1,0,0|3,0,0]=4 171 B13R2.3437 Cc1ccsc1[C@H]2C[C@H]2C(=O)O Amb34916212 [0,0,0,1,0,0|3,0,0]=4 172 B13R2.3437 Cc1ncsc1C2CC2C(=O)O Amb25127151 [0,0,0,1,0,0|2,0,0]=3 173 B13R2.3437 Cc1ncsc1[C@@H]2C[C@H]2C(=O)O Amb32876316 [0,0,0,1,0,0|2,0,0]=3 174 B13R2.3437 Cc1ncsc1[C@H]2C[C@@H]2C(=O)O Amb27858721 [0,0,0,1,0,0|2,0,0]=3 175 B11R1.90 CC(=O)CCc1cccn1C Amb26038750 [0,0,0,0,1,0|3,0,0]=4 176 B11R1.90 CC(=O)CCc1ccnn1C Amb18831194 [0,0,0,0,1,0|2,0,0]=3 177 B11R1.90 CC(=O)CCc1ccoc1C Amb26553050 [0,0,0,0,1,0|2,0,0]=3 178 B11R1.90 CC(=O)CCc1ccsc1C Amb27866001 [0,0,0,0,1,0|2,0,0]=3 179 B11R1.90 CC(=O)CCc1cnnn1C Amb24431181 [0,0,0,0,1,0|3,0,0]=4 180 B11R1.90 CC(=O)CCc1cnoc1C Amb33361882 [0,0,0,0,1,0|3,0,0]=4 181 B11R1.90 CC(=O)CCc1cscc1C Amb33146520 [0,0,0,0,1,0|3,0,0]=4 182 B11R1.90 CC(=O)CCc1nccn1C Amb25691923 [0,0,0,0,1,0|3,0,0]=4 183 B11R1.90 CC(=O)CCc1ncnn1C Amb28064451 [0,0,0,0,1,0|2,0,0]=3 184 B11R1.90 CC(=O)CCc1nnnn1C Amb35636520 [0,0,0,0,1,0|3,0,0]=4 185 B11R1.90 CC(=O)CCc1nonc1C Amb27751783 [0,0,0,0,1,0|2,0,0]=3 186 B11R1.90 CC(=O)CCc1occc1C Amb26853347 [0,0,0,0,1,0|1,1,0]=3 187 B11R1.90 CC(=O)CCc1sccc1Br Amb25329410 [0,0,0,0,1,0|2,0,0]=3 188 B11R1.90 CC(=O)CCc1sccc1C Amb26320137 [0,0,0,0,1,0|1,0,0]=2 189 B11R1.90 CC(=O)CCc1sccc1Cl Amb25692710 [0,0,0,0,1,0|2,0,0]=3 190 B11R1.90 CC(=O)CCc1scnc1C Amb26936638 [0,0,0,0,1,0|0,0,0]=1 191 B11R1.90 CC(=O)CCn1ccnc1C Amb7777314 [0,0,0,0,1,0|2,0,0]=3 192 B11R1.90 CC(=O)NCc1ccoc1C Amb25923186 [0,0,0,0,1,0|3,0,0]=4 193 B11R1.90 CC(=O)NCc1ncnn1C Amb27595334 [0,0,0,0,1,0|3,0,0]=4 194 B11R1.90 CC(=O)NCc1nonc1C Amb27802120 [0,0,0,0,1,0|3,0,0]=4 195 B11R1.90 CC(=O)NCc1sccc1C Amb27647871 [0,0,0,0,1,0|2,0,0]=3 196 B11R1.90 CC(=O)OCc1cccn1C Amb28319861 [0,0,0,0,1,0|3,0,0]=4 197 B11R1.90 CC(=O)OCc1ccnn1C Amb28140315 [0,0,0,0,1,0|2,0,0]=3 198 B11R1.90 CC(=O)OCc1ccoc1C Amb28370039 [0,0,0,0,1,0|2,0,0]=3 199 B11R1.90 CC(=O)OCc1nccn1C Amb27624401 [0,0,0,0,1,0|3,0,0]=4 200 B11R1.90 CC(=O)OCc1nonc1C Amb709261 [0,0,0,0,1,0|2,0,0]=3 201 B11R1.90 CC(=O)OCc1occc1C Amb27272698 [0,0,0,0,1,0|1,1,0]=3 202 B11R1.90 CC(=O)OCc1snnc1C Amb22370505 [0,0,0,0,1,0|1,0,0]=2 203 B11R1.90 CC(=O)\C=C\c1sccc1C Amb33448507 [0,0,0,0,1,0|1,0,2]=4 204 B11R1.90 CC(=O)\C=C\c1scnc1C Amb33172563 [0,0,0,0,1,0|0,0,2]=3 205 B11R1.90 Cc1ccoc1CCC(=O)O Amb18200842 [0,0,0,0,1,0|2,1,0]=4 206 B11R1.90 Cc1ccsc1CCC(=O)O Amb2592463 [0,0,0,0,1,0|2,0,0]=3 207 B11R1.90 Cc1ccsc1CCC(C)N Amb25954794 [0,0,0,0,1,0|2,0,1]=4 208 B11R1.90 Cc1ccsc1CCC(C)O Amb26436900 [0,0,0,0,1,0|1,0,2]=4 209 B11R1.90 Cc1ccsc1CC[C@@H](C)N Amb33202964 [0,0,0,0,1,0|2,0,1]=4 210 B11R1.90 Cc1ccsc1CC[C@@H](C)O Amb33202966 [0,0,0,0,1,0|1,0,2]=4 211 B11R1.90 Cc1ccsc1CC[C@H](C)N Amb33202963 [0,0,0,0,1,0|2,0,1]=4 212 B11R1.90 Cc1ccsc1CC[C@H](C)O Amb33202969 [0,0,0,0,1,0|1,0,2]=4 213 B11R1.90 Cc1ccsc1CC[N+](=O)[O-] Amb33456694 [0,0,0,0,1,0|3,0,0]=4 214 B11R1.90 Cc1ccsc1CNC(=O)Cl Amb35625594 [0,0,0,0,1,0|3,0,0]=4 215 B11R1.90 Cc1ccsc1OCC(=O)O Amb33202602 [0,0,0,0,1,0|3,0,0]=4 216 B11R1.90 Cc1cnsc1CCC(=O)O Amb18198609 [0,0,0,0,1,0|3,0,0]=4 217 B11R1.90 Cc1nccn1CCC(=O)O Amb1099401 [0,0,0,0,1,0|3,0,0]=4 218 B11R1.90 Cc1nccn1CCC(=O)O Amb1292944 [0,0,0,0,1,0|3,0,0]=4 219 B11R1.90 Cc1nccn1CCC(=O)O Amb8503293 [0,0,0,0,1,0|3,0,0]=4 220 B11R1.90 Cc1ncnn1CCC(=O)O Amb18254989 [0,0,0,0,1,0|3,0,0]=4 221 B11R1.90 Cc1ncoc1CCC(=O)O Amb18830918 [0,0,0,0,1,0|1,1,0]=3 222 B11R1.90 Cc1ncsc1C#CC(=O)O Amb27812681 [0,0,0,0,1,0|1,0,2]=4 223 B11R1.90 Cc1ncsc1CCC(=O)O Amb3941253 [0,0,0,0,1,0|1,0,0]=2 224 B11R1.90 Cc1ncsc1CCC(C)Br Amb35632698 [0,0,0,0,1,0|1,0,1]=3 225 B11R1.90 Cc1ncsc1CCC(C)Cl Amb35632696 [0,0,0,0,1,0|1,0,1]=3 226 B11R1.90 Cc1ncsc1CCC(C)N Amb8011418 [0,0,0,0,1,0|1,0,1]=3 227 B11R1.90 Cc1ncsc1CCC(C)O Amb32877620 [0,0,0,0,1,0|0,0,2]=3 228 B11R1.90 Cc1ncsc1CCS(=O)[O-] Amb32754888 [0,0,0,0,1,0|2,0,0]=3 229 B11R1.90 Cc1ncsc1CC[C@@H](C)N Amb32875987 [0,0,0,0,1,0|1,0,1]=3 230 B11R1.90 Cc1ncsc1CC[C@@H](C)O Amb32876842 [0,0,0,0,1,0|0,0,2]=3 231 B11R1.90 Cc1ncsc1CC[C@H](C)N Amb32875986 [0,0,0,0,1,0|1,0,1]=3 232 B11R1.90 Cc1ncsc1CC[C@H](C)O Amb32876843 [0,0,0,0,1,0|0,0,2]=3 233 B11R1.90 Cc1ncsc1CC[N+](=O)[O-] Amb33456717 [0,0,0,0,1,0|2,0,0]=3 234 B11R1.90 Cc1ncsc1CNC(C)C Amb2592081 [0,0,0,0,1,0|2,0,1]=4 235 B11R1.90 Cc1ncsc1CNN(C)C Amb27184137 [0,0,0,0,1,0|3,0,0]=4 236 B11R1.90 Cc1ncsc1COC(=O)Cl Amb33297067 [0,0,0,0,1,0|1,0,0]=2 237 B11R1.90 Cc1ncsc1CSC(C)C Amb27840282 [0,0,0,0,1,0|1,1,1]=4 238 B11R1.90 Cc1ncsc1OCC(=O)O Amb33271215 [0,0,0,0,1,0|2,0,0]=3 239 B11R1.90 Cc1ncsc1\C=C\C(=O)O Amb33292464 [0,0,0,0,1,0|1,0,2]=4 240 B11R1.90 Cc1ncsc1\C=C\C(N)=O Amb25964597 [0,0,0,0,1,0|1,0,2]=4 241 B11R1.90 Cc1ncsc1\C=N\S(C)=O Amb29865711 [0,0,0,0,1,0|2,0,1]=4 242 B11R1.90 Cc1nnsc1CCC(=O)O Amb28239590 [0,0,0,0,1,0|2,0,0]=3 243 B11R1.90 Cc1nnsc1SCC(=O)O Amb2420951 [0,0,0,0,1,0|3,0,0]=4 244 B11R1.90 Cc1nocc1CCC(=O)O Amb18200518 [0,0,0,0,1,0|3,0,0]=4 245 B11R1.90 Cc1nonc1CCC(=O)O Amb18200254 [0,0,0,0,1,0|3,0,0]=4 246 B11R1.90 Cc1nsnc1CCC(=O)O Amb18825365 [0,0,0,0,1,0|3,0,0]=4 247 B11R1.90 Cc1ocnc1CCC(=O)O Amb18200534 [0,0,0,0,1,0|3,0,0]=4 248 B11R1.90 Cc1sccc1CCC(=O)O Amb18198905 [0,0,0,0,1,0|3,0,0]=4 249 B11R1.90 Cn1nccc1CCC(=O)O Amb6888350 [0,0,0,0,1,0|3,0,0]=4 250 B11R1.90 Cn1nccc1COC(=O)Cl Amb33297359 [0,0,0,0,1,0|3,0,0]=4 251 B11R1.90 Cn1ncnc1CCC(=O)O Amb18995485 [0,0,0,0,1,0|3,0,0]=4 252 B11R1.90 Cn1ncnc1COC(=O)Cl Amb33297248 [0,0,0,0,1,0|3,0,0]=4 253 B11R1.90 O=C(Cl)OCc1sccc1Br Amb33297111 [0,0,0,0,1,0|3,0,0]=4 254 B11R1.90 O=C(Cl)OCc1scnc1Cl Amb33297224 [0,0,0,0,1,0|2,0,0]=3 255 B11R1.90 O=C(O)CCc1sccc1Br Amb18293479 [0,0,0,0,1,0|3,0,0]=4 256 B11R1.90 O=C(O)CCc1sccc1Cl Amb28061379 [0,0,0,0,1,0|3,0,0]=4 257 B11R1.90 O=C(O)CCc1sccc1F Amb33470227 [0,0,0,0,1,0|3,0,0]=4 258 B11R1.90 O=C(O)CCc1sccc1I Amb33470233 [0,0,0,0,1,0|3,0,0]=4 259 B11R1.90 O=C(O)CCc1scnc1Br Amb18732847 [0,0,0,0,1,0|2,0,0]=3 260 B13R1.149 CC(=O)CCCc1cccc(C)c1 Amb17233199 [0,0,0,0,0,1|3,0,0]=4 261 B13R1.149 CC(=O)OCCc1cccc(N)c1 Amb28556007 [0,0,0,0,0,1|3,0,0]=4 262 B13R1.149 Cc1cc(CCCC(=O)O)ccn1 Amb32733008 [0,0,0,0,0,1|3,0,0]=4 263 B13R1.149 Cc1cc(CCCC(=O)O)ncn1 Amb18193940 [0,0,0,0,0,1|3,0,0]=4 264 B13R1.149 Cc1nccc(CCCC(=O)O)n1 Amb18193848 [0,0,0,0,0,1|3,0,0]=4 265 B13R1.158 CC(=O)CCCc1ccccc1C Amb17233198 [0,0,0,0,0,1|3,0,0]=4 266 B13R1.158 CC(=O)NCCc1cccnc1Br Amb28319510 [0,0,0,0,0,1|3,0,0]=4 267 B13R1.158 CC(=O)NCCc1ncccc1C Amb35579988 [0,0,0,0,0,1|3,0,0]=4 268 B13R1.158 Cc1cnccc1CCCC(=O)O Amb33372287 [0,0,0,0,0,1|3,0,0]=4 269 B13R1.158 Cc1ncccc1CCCC(=O)O Amb32878341 [0,0,0,0,0,1|3,0,0]=4 270 B13R1.158 Cc1nccnc1CCCC(=O)O Amb33141636 [0,0,0,0,0,1|3,0,0]=4 271 B13R1.158 Cc1ncncc1CCCC(=O)O Amb33149430 [0,0,0,0,0,1|3,0,0]=4 272 B13R1.167 CC(=O)CCSCc1occc1C Amb32987868 [0,0,0,0,0,1|2,1,0]=4 273 B13R1.167 CC(=O)COCCc1scnc1C Amb18332323 [0,0,0,0,0,1|0,0,0]=1 274 B13R1.167 Cc1ccsc1CNCCC(=O)O Amb8833843 [0,0,0,0,0,1|3,0,0]=4 275 B13R1.167 Cc1ncsc1CNCCC(C)C Amb33496286 [0,0,0,0,0,1|2,0,1]=4 276 B13R1.167 Cc1ncsc1CNCCC(C)O Amb33363110 [0,0,0,0,0,1|1,0,2]=4 277 B10R1.21 C=COCCc1cccs1 Amb28342200 [2,0,0,0,0,0|1,0,1]=4 278 B10R1.21 O=C=NCCc1cncs1 Amb33269826 [2,0,0,0,0,0|1,0,1]=4 279 B10R1.21 O=CCCCc1cccs1 Amb17089166 [2,0,0,0,0,0|2,0,0]=4 280 B10R1.21 O=CCCCc1cnco1 Amb24478357 [2,0,0,0,0,0|1,1,0]=4 281 B10R1.21 O=CCCCc1cncs1 Amb25073856 [2,0,0,0,0,0|1,0,0]=3 282 B10R1.21 O=CNCCc1cccs1 Amb28141381 [2,0,0,0,0,0|2,0,0]=4 283 B10R1.29 C#CCCc1scnc1C Amb33271240 [2,0,0,0,0,0|0,0,2]=4 284 B10R1.29 C=CCCc1sccc1C Amb29863520 [2,0,0,0,0,0|1,0,1]=4 285 B10R1.29 C=CCCc1scnc1C Amb35636155 [2,0,0,0,0,0|0,0,1]=3 286 B10R1.29 CCCCc1scnc1C Amb25913556 [2,0,0,0,0,0|0,0,1]=3 287 B10R1.29 CCNCc1scnc1C Amb2592080 [2,0,0,0,0,0|1,0,1]=4 288 B10R1.29 CCSCc1scnc1C Amb27261034 [2,0,0,0,0,0|0,1,1]=4 289 B10R1.29 CNCCc1sccc1C Amb25767110 [2,0,0,0,0,0|2,0,0]=4 290 B10R1.29 CNCCc1scnc1C Amb17622292 [2,0,0,0,0,0|1,0,0]=3 291 B10R1.29 CNCCc1scnc1C Amb19134553 [2,0,0,0,0,0|1,0,0]=3 292 B10R1.29 CNCCc1scnc1C Amb3941229 [2,0,0,0,0,0|1,0,0]=3 293 B10R1.29 COCCc1sccc1Br Amb27763658 [2,0,0,0,0,0|2,0,0]=4 294 B10R1.29 COCCn1ccnc1C Amb27655369 [2,0,0,0,0,0|2,0,0]=4 295 B10R1.29 CONCc1scnc1C Amb28384013 [2,0,0,0,0,0|1,0,0]=3 296 B10R1.29 CONCc1snnc1C Amb27639754 [2,0,0,0,0,0|2,0,0]=4 297 B10R1.29 CO\N=C\c1scnc1C Amb27424932 [2,0,0,0,0,0|1,0,1]=4 298 B10R1.29 Cc1ccoc1CCC=O Amb33343122 [2,0,0,0,0,0|1,1,0]=4 299 B10R1.29 Cc1ccsc1CCC=O Amb26454122 [2,0,0,0,0,0|1,0,0]=3 300 B10R1.29 Cc1ccsc1CCON Amb33202985 [2,0,0,0,0,0|2,0,0]=4 301 B10R1.29 Cc1ncsc1CCC=O Amb24085273 [2,0,0,0,0,0|0,0,0]=2 302 B10R1.29 Cc1ncsc1CCCBr Amb20668875 [2,0,0,0,0,0|1,0,1]=4 303 B10R1.29 Cc1ncsc1CCCCl Amb20668874 [2,0,0,0,0,0|1,0,1]=4 304 B10R1.29 Cc1ncsc1CCCCl Amb33189126 [2,0,0,0,0,0|1,0,1]=4 305 B10R1.29 Cc1ncsc1CCCN Amb13948981 [2,0,0,0,0,0|1,0,1]=4 306 B10R1.29 Cc1ncsc1CCCN Amb8009583 [2,0,0,0,0,0|1,0,1]=4 307 B10R1.29 Cc1ncsc1CCCO Amb22832090 [2,0,0,0,0,0|0,0,2]=4 308 B10R1.29 Cc1ncsc1CCCS Amb33271207 [2,0,0,0,0,0|0,1,1]=4 309 B10R1.29 Cc1ncsc1CCON Amb25125033 [2,0,0,0,0,0|1,0,0]=3 310 B10R1.29 Cc1ncsc1CN=C=O Amb24386190 [2,0,0,0,0,0|1,0,1]=4 311 B10R1.29 Cc1ncsc1\C=C\C=O Amb33358465 [2,0,0,0,0,0|0,0,2]=4 312 B10R1.29 Cc1nnsc1CNC=O Amb28145317 [2,0,0,0,0,0|2,0,0]=4 313 B10R1.29 Cc1occc1CCC=O Amb33274350 [2,0,0,0,0,0|2,0,0]=4 314 B10R1.29 Cc1sccc1CCC=O Amb27424876 [2,0,0,0,0,0|2,0,0]=4 315 B10R1.29 Cn1nccc1CCC=O Amb26936802 [2,0,0,0,0,0|2,0,0]=4 316 B10R1.29 O=CCCc1sccc1Br Amb25838062 [2,0,0,0,0,0|2,0,0]=4 317 B10R1.29 O=CCCc1sccc1Cl Amb26969365 [2,0,0,0,0,0|2,0,0]=4 318 B10R1.29 [C-]#[N+]CCc1scnc1C Amb33224352 [2,0,0,0,0,0|1,0,1]=4 319 B12R1.54 CC(=O)CCC(Cl)c1cccs1 Amb17402623 [1,1,0,0,0,0|2,0,0]=4 320 B12R1.54 CC(=O)NCC(O)c1cccs1 Amb17335755 [1,1,0,0,0,0|2,0,0]=4 321 B12R1.54 NC(CCC(=O)O)c1cncs1 Amb33269876 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.105 CC(=O)NCCc1ccc(C)s1 Amb27224603 [1,1,0,0,0,0|2,0,0]=4 323 B12R1.105 CC(=O)NCCc1ccc(I)s1 Amb20642134 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.105 CC(=O)NCCc1nnc(C)s1 Amb27806374 [1,1,0,0,0,0|2,0,0]=4 325 B12R1.105 CC(C)=CCCc1cnc(C)s1 Amb35623556 [1,1,0,0,0,0|2,0,0]=4 326 B12R1.105 CC(C)=CCCc1cnc(N)s1 Amb35588092 [1,1,0,0,0,0|2,0,0]=4 327 B12R1.105 Cc1ncc(CCCC(=O)O)s1 Amb18822435 [1,1,0,0,0,0|2,0,0]=4 328 B12R1.105 O=C(O)CCCc1cnc(Cl)s1 Amb33221404 [1,1,0,0,0,0|2,0,0]=4 329 B12R1.260 NC(CC(=O)O)Cc1cncs1 Amb18822048 [1,1,0,0,0,0|2,0,0]=4 330 B12R1.264 CC(CCc1cncs1)C(=O)O Amb33172551 [1,1,0,0,0,0|2,0,0]=4 331 B12R1.477 COC(=O)CCCc1cccs1 Amb448996 [1,1,0,0,0,0|2,0,0]=4 332 B12R1.477 NCC(=O)NCCc1cccs1 Amb5783057 [1,1,0,0,0,0|2,0,0]=4 333 B12R1.477 O=C(CBr)NCCc1cccs1 Amb17333422 [1,1,0,0,0,0|2,0,0]=4 334 B12R1.477 O=C(CCl)NCCc1cccs1 Amb1106069 [1,1,0,0,0,0|2,0,0]=4 335 B12R1.45 CCc1ccsc1CCCC=O Amb32728995 [1,1,0,0,0,0|2,0,0]=4 336 B12R1.353 COC(=O)CCc1scnc1C Amb9786731 [1,1,0,0,0,0|2,0,0]=4 337 B12R1.372 CCCCNCc1scnc1C Amb19057669 [1,1,0,0,0,0|1,0,1]=4 338 B12R1.372 COCCNCc1scnc1C Amb19070196 [1,1,0,0,0,0|2,0,0]=4 339 B12R1.460 CC#CCC(N)c1scnc1C Amb27434801 [1,1,0,0,0,0|1,0,1]=4 340 B12R1.460 CC#CCC(O)c1scnc1C Amb27880763 [1,1,0,0,0,0|1,0,1]=4 341 B12R1.460 C\C=C\CC(C)c1sccc1C Amb27218178 [1,1,0,0,0,0|2,0,0]=4 342 B12R1.81 CCc1ccsc1CCC(=O)O Amb33470244 [0,1,0,0,1,0|2,0,0]=4 343 B12R1.81 CCc1ccsc1CCC(C)=O Amb32729036 [0,1,0,0,1,0|1,0,0]=3 344 B12R1.81 CCc1ncoc1CCC(=O)O Amb18826168 [0,1,0,0,1,0|1,1,0]=4 345 B12R1.81 CCc1nnsc1CCC(=O)O Amb33470248 [0,1,0,0,1,0|2,0,0]=4 346 B12R1.81 CCn1nccc1CCC(C)=O Amb33359482 [0,1,0,0,1,0|2,0,0]=4 347 B12R1.81 CCn1ncnc1CCC(C)=O Amb33359590 [0,1,0,0,1,0|2,0,0]=4 348 B12R1.81 COc1ccsc1CCC(=O)O Amb33470247 [0,1,0,0,1,0|2,0,0]=4 349 B12R1.129 CS(=O)(=O)OCc1scnc1Br Amb27411252 [0,1,0,0,1,0|2,0,0]=4 350 B12R1.129 CS(=O)(=O)OCc1scnc1Cl Amb27840475 [0,1,0,0,1,0|2,0,0]=4 351 B12R1.129 Cc1ncsc1CCC(C)(C)N Amb25075841 [0,1,0,0,1,0|1,0,1]=4 352 B12R1.129 Cc1ncsc1CCS(=O)(=O)Cl Amb28382625 [0,1,0,0,1,0|2,0,0]=4 353 B12R1.129 Cc1ncsc1CCS(=O)(=O)Cl Amb32652779 [0,1,0,0,1,0|2,0,0]=4 354 B12R1.129 Cc1ncsc1CCS(=O)(=O)F Amb27430375 [0,1,0,0,1,0|2,0,0]=4 355 B12R1.129 Cc1ncsc1CCS(=O)(=O)F Amb32661328 [0,1,0,0,1,0|2,0,0]=4 356 B12R1.129 Cc1ncsc1CCS(N)(=O)=O Amb26971432 [0,1,0,0,1,0|2,0,0]=4 357 B12R1.129 Cc1ncsc1CNS(C)(=N)=O Amb29867227 [0,1,0,0,1,0|2,0,0]=4 358 B12R1.129 Cc1ncsc1COS(N)(=O)=O Amb33484996 [0,1,0,0,1,0|2,0,0]=4 359 B12R1.144 C=C(C)CC(=O)c1scnc1C Amb27654678 [0,1,0,0,1,0|1,0,1]=4 360 B12R1.144 C=C(C)CC(N)c1scnc1C Amb27593310 [0,1,0,0,1,0|1,0,0]=3 361 B12R1.144 CC(=O)CC(=O)c1ocnc1C Amb27175909 [0,1,0,0,1,0|0,1,1]=4 362 B12R1.144 CC(=O)CC(=O)c1sccc1C Amb25751460 [0,1,0,0,1,0|1,0,1]=4 363 B12R1.144 CC(=O)CC(C)c1ccnn1C Amb27175544 [0,1,0,0,1,0|2,0,0]=4 364 B12R1.144 CC(=O)CC(C)c1sccc1Br Amb27486965 [0,1,0,0,1,0|2,0,0]=4 365 B12R1.144 CC(=O)CC(C)c1sccc1Cl Amb28256086 [0,1,0,0,1,0|2,0,0]=4 366 B12R1.144 CC(=O)CC(C)c1scnc1C Amb30027111 [0,1,0,0,1,0|0,0,0]=2 367 B12R1.144 CC(=O)OC(C)c1sccc1C Amb27414296 [0,1,0,0,1,0|1,0,0]=3 368 B12R1.144 CC(=O)OC(C)n1ccnc1C Amb28312827 [0,1,0,0,1,0|2,0,0]=4 369 B12R1.144 Cc1ccsc1C(C)CC(=O)O Amb27646216 [0,1,0,0,1,0|2,0,0]=4 370 B12R1.144 Cc1ccsc1C(N)CC(=O)O Amb6269601 [0,1,0,0,1,0|2,0,0]=4 371 B12R1.144 Cc1ccsc1C(N)CC(N)=O Amb7800622 [0,1,0,0,1,0|2,0,0]=4 372 B12R1.144 Cc1ccsc1C(O)CC(=O)O Amb18298169 [0,1,0,0,1,0|2,0,0]=4 373 B12R1.144 Cc1ccsc1[C@@H](N)CC(=O)O Amb19057939 [0,1,0,0,1,0|2,0,0]=4 374 B12R1.144 Cc1ccsc1[C@@H](N)CC(N)=O Amb19057525 [0,1,0,0,1,0|2,0,0]=4 375 B12R1.144 Cc1ccsc1[C@@H](O)CC(=O)O Amb33202988 [0,1,0,0,1,0|2,0,0]=4 376 B12R1.144 Cc1ccsc1[C@H](N)CC(=O)O Amb24485242 [0,1,0,0,1,0|2,0,0]=4 377 B12R1.144 Cc1ccsc1[C@H](N)CC(N)=O Amb26048582 [0,1,0,0,1,0|2,0,0]=4 378 B12R1.144 Cc1ccsc1[C@H](O)CC(=O)O Amb33202987 [0,1,0,0,1,0|2,0,0]=4 379 B12R1.144 Cc1ncoc1C(O)CC(=O)O Amb18198719 [0,1,0,0,1,0|1,1,0]=4 380 B12R1.144 Cc1ncsc1C(C)CC(=O)O Amb29878198 [0,1,0,0,1,0|1,0,0]=3 381 B12R1.144 Cc1ncsc1C(C)CC(C)Br Amb35632706 [0,1,0,0,1,0|1,0,1]=4 382 B12R1.144 Cc1ncsc1C(C)CC(C)Cl Amb35632703 [0,1,0,0,1,0|1,0,1]=4 383 B12R1.144 Cc1ncsc1C(C)CC(C)N Amb29878266 [0,1,0,0,1,0|1,0,1]=4 384 B12R1.144 Cc1ncsc1C(C)CC(C)O Amb35590269 [0,1,0,0,1,0|0,0,2]=4 385 B12R1.144 Cc1ncsc1C(Cl)CC(C)C Amb35635998 [0,1,0,0,1,0|1,0,1]=4 386 B12R1.144 Cc1ncsc1C(N)CC(=O)O Amb32787565 [0,1,0,0,1,0|1,0,0]=3 387 B12R1.144 Cc1ncsc1C(N)CC(N)=O Amb33255053 [0,1,0,0,1,0|1,0,0]=3 388 B12R1.144 Cc1ncsc1C(N)CN(C)C Amb35616613 [0,1,0,0,1,0|2,0,0]=4 389 B12R1.144 Cc1ncsc1C(O)CC(=O)O Amb18821629 [0,1,0,0,1,0|1,0,0]=3 390 B12R1.144 Cc1ncsc1C(O)CC(C)N Amb35583745 [0,1,0,0,1,0|1,0,1]=4 391 B12R1.144 Cc1ncsc1C(O)CN(C)C Amb35612919 [0,1,0,0,1,0|2,0,0]=4 392 B12R1.144 Cc1ncsc1[C@@H](N)CC(=O)O Amb32787535 [0,1,0,0,1,0|1,0,0]=3 393 B12R1.144 Cc1ncsc1[C@@H](N)CC(N)=O Amb33254917 [0,1,0,0,1,0|1,0,0]=3 394 B12R1.144 Cc1ncsc1[C@@H](O)CC(=O)O Amb33224177 [0,1,0,0,1,0|1,0,0]=3 395 B12R1.144 Cc1ncsc1[C@H](N)CC(=O)O Amb33255470 [0,1,0,0,1,0|1,0,0]=3 396 B12R1.144 Cc1ncsc1[C@H](N)CC(N)=O Amb33308420 [0,1,0,0,1,0|1,0,0]=3 397 B12R1.144 Cc1ncsc1[C@H](O)CC(=O)O Amb32876031 [0,1,0,0,1,0|1,0,0]=3 398 B12R1.144 Cc1nnsc1C(N)CC(=O)O Amb25917232 [0,1,0,0,1,0|2,0,0]=4 399 B12R1.144 Cc1nnsc1C(N)CC(N)=O Amb25362447 [0,1,0,0,1,0|2,0,0]=4 400 B12R1.144 Cc1nnsc1[C@@H](N)CC(=O)O Amb25991658 [0,1,0,0,1,0|2,0,0]=4 401 B12R1.144 Cc1nnsc1[C@@H](N)CC(N)=O Amb25917402 [0,1,0,0,1,0|2,0,0]=4 402 B12R1.144 Cc1nnsc1[C@H](N)CC(=O)O Amb27848337 [0,1,0,0,1,0|2,0,0]=4 403 B12R1.144 Cc1nnsc1[C@H](N)CC(N)=O Amb25299610 [0,1,0,0,1,0|2,0,0]=4 404 B12R1.144 NC(=O)CC(N)c1scnc1Cl Amb33255405 [0,1,0,0,1,0|2,0,0]=4 405 B12R1.144 NC(=O)C[C@@H](N)c1scnc1Cl Amb33254869 [0,1,0,0,1,0|2,0,0]=4 406 B12R1.144 NC(=O)C[C@H](N)c1scnc1Cl Amb33255331 [0,1,0,0,1,0|2,0,0]=4 407 B12R1.144 NC(CC(=O)O)c1scnc1Cl Amb33254243 [0,1,0,0,1,0|2,0,0]=4 408 B12R1.144 N[C@@H](CC(=O)O)c1scnc1Cl Amb33308344 [0,1,0,0,1,0|2,0,0]=4 409 B12R1.144 N[C@H](CC(=O)O)c1scnc1Cl Amb33254022 [0,1,0,0,1,0|2,0,0]=4 410 B12R1.145 CC(=O)C(C)Cc1nonc1C Amb27272820 [0,1,0,0,1,0|2,0,0]=4 411 B12R1.145 CC(=O)C(C)Cc1sccc1Cl Amb28058694 [0,1,0,0,1,0|2,0,0]=4 412 B12R1.145 CC(=O)N(C)Cc1scnc1C Amb27254682 [0,1,0,0,1,0|1,0,0]=3 413 B12R1.145 CC(=O)\C(C)=C\c1scnc1C Amb28246687 [0,1,0,0,1,0|0,0,2]=4 414 B12R1.145 Cc1ccsc1CC(C)C(=O)O Amb27159627 [0,1,0,0,1,0|2,0,0]=4 415 B12R1.145 Cc1ccsc1CC(F)C(=O)O Amb28430315 [0,1,0,0,1,0|2,0,0]=4 416 B12R1.145 Cc1ccsc1CC(N)C(=O)O Amb3788399 [0,1,0,0,1,0|2,0,0]=4 417 B12R1.145 Cc1ccsc1CC(O)C(=O)O Amb32668562 [0,1,0,0,1,0|2,0,0]=4 418 B12R1.145 Cc1ccsc1C[C@@H](N)C(=O)O Amb19069332 [0,1,0,0,1,0|2,0,0]=4 419 B12R1.145 Cc1ccsc1C[C@H](N)C(=O)O Amb26450865 [0,1,0,0,1,0|2,0,0]=4 420 B12R1.145 Cc1ncsc1CC(=O)C(=O)O Amb32877657 [0,1,0,0,1,0|1,0,1]=4 421 B12R1.145 Cc1ncsc1CC(C)C(=O)O Amb25213367 [0,1,0,0,1,0|1,0,0]=3 422 B12R1.145 Cc1ncsc1CC(F)C(=O)O Amb27206734 [0,1,0,0,1,0|1,0,0]=3 423 B12R1.145 Cc1ncsc1CC(N)C(=O)O Amb18822033 [0,1,0,0,1,0|1,0,0]=3 424 B12R1.145 Cc1ncsc1CC(O)C(=O)O Amb33353370 [0,1,0,0,1,0|1,0,0]=3 425 B12R1.145 Cc1ncsc1CN(C)C(=O)Cl Amb32863916 [0,1,0,0,1,0|2,0,0]=4 426 B12R1.145 Cc1ncsc1C[C@@H](N)C(=O)O Amb28396540 [0,1,0,0,1,0|1,0,0]=3 427 B12R1.145 Cc1nnsc1CC(C)C(=O)O Amb27983370 [0,1,0,0,1,0|2,0,0]=4 428 B12R1.145 Cc1nnsc1CC(N)C(N)=O Amb33127553 [0,1,0,0,1,0|2,0,0]=4 429 B12R1.145 Cc1nnsc1CC(O)C(=O)O Amb33353275 [0,1,0,0,1,0|2,0,0]=4 430 B12R1.145 Cc1nnsc1C[C@@H](N)C(=O)O Amb27877967 [0,1,0,0,1,0|2,0,0]=4 431 B12R1.145 Cc1nnsc1C[C@H](N)C(=O)O Amb26980262 [0,1,0,0,1,0|2,0,0]=4 432 B12R1.145 NC(=O)C(N)Cc1scnc1Cl Amb33036751 [0,1,0,0,1,0|2,0,0]=4 433 B12R1.145 N[C@@H](Cc1scnc1Cl)C(=O)O Amb33036143 [0,1,0,0,1,0|2,0,0]=4 434 B12R1.145 N[C@H](Cc1scnc1Cl)C(=O)O Amb33065656 [0,1,0,0,1,0|2,0,0]=4 435 B12R1.145 O=C(O)C(O)Cc1scnc1Cl Amb33353330 [0,1,0,0,1,0|2,0,0]=4 436 B12R1.861 CC(=O)CCc1cc(Br)nn1C Amb33431105 [0,1,0,0,1,0|2,0,0]=4 437 B12R1.861 CC(=O)CCc1cc(C)nn1C Amb18827587 [0,1,0,0,1,0|2,0,0]=4 438 B12R1.861 CC(=O)CCc1cc(C)oc1C Amb33343602 [0,1,0,0,1,0|2,0,0]=4 439 B12R1.861 CC(=O)CCc1cc(C)sc1C Amb33472274 [0,1,0,0,1,0|2,0,0]=4 440 B12R1.861 CC(=O)CCc1cn(C)nc1C Amb24380753 [0,1,0,0,1,0|2,0,0]=4 441 B12R1.861 CC(=O)CCc1nc(Br)nn1C Amb32757908 [0,1,0,0,1,0|2,0,0]=4 442 B12R1.861 CC(=O)CCc1nc(I)nn1C Amb32757944 [0,1,0,0,1,0|2,0,0]=4 443 B12R1.861 CC(=O)CCc1nc(N)nn1C Amb32757875 [0,1,0,0,1,0|2,0,0]=4 444 B12R1.861 CC(=O)CCc1oc(Br)cc1C Amb33387187 [0,1,0,0,1,0|1,1,0]=4 445 B12R1.861 CC(=O)CCc1sc(C)cc1Br Amb33263375 [0,1,0,0,1,0|2,0,0]=4 446 B12R1.861 CC(=O)CCc1sc(C)nc1C Amb25682502 [0,1,0,0,1,0|0,0,0]=2 447 B12R1.861 CC(=O)NCc1sc(C)nc1C Amb27661920 [0,1,0,0,1,0|1,0,0]=3 448 B12R1.861 CC(=O)OCc1cc(C)nn1C Amb27761473 [0,1,0,0,1,0|2,0,0]=4 449 B12R1.861 CC(=O)OCc1cc(C)oc1C Amb27661947 [0,1,0,0,1,0|2,0,0]=4 450 B12R1.861 CC(=O)OCc1cc(C)sc1C Amb27485404 [0,1,0,0,1,0|2,0,0]=4 451 B12R1.861 CC(=O)OCn1cc(N)nc1C Amb27869890 [0,1,0,0,1,0|2,0,0]=4 452 B12R1.861 Cc1nc(C)c(CCC(=O)O)o1 Amb18826178 [0,1,0,0,1,0|1,1,0]=4 453 B12R1.861 Cc1nc(C)c(CCC(=O)O)s1 Amb17466108 [0,1,0,0,1,0|1,0,0]=3 454 B12R1.861 Cc1nc(C)c(COC(=O)Cl)o1 Amb33297398 [0,1,0,0,1,0|1,1,0]=4 455 B12R1.861 Cc1nc(N)sc1CCC(=O)O Amb17208911 [0,1,0,0,1,0|1,0,0]=3 456 B12R1.861 Cc1nc(N)sc1SCC(=O)O Amb18976427 [0,1,0,0,1,0|2,0,0]=4 457 B12R1.861 Cc1nc(N)sc1SCC(N)=O Amb6264118 [0,1,0,0,1,0|2,0,0]=4 458 B12R1.861 O=C(O)CCc1sc(Cl)nc1Cl Amb28288552 [0,1,0,0,1,0|2,0,0]=4 459 B12R1.870 CC(=O)CCc1scc(C)c1Br Amb33434301 [0,1,0,0,1,0|2,0,0]=4 460 B12R1.870 CC(=O)OCc1occ(C)c1C Amb25244720 [0,1,0,0,1,0|1,1,0]=4 461 B12R1.895 CC(=O)CCc1c(Br)cnn1C Amb27227558 [0,1,0,0,1,0|2,0,0]=4 462 B12R1.895 CC(=O)CCc1c(C)cnn1C Amb26519495 [0,1,0,0,1,0|2,0,0]=4 463 B12R1.895 CC(=O)CCc1c(C)noc1C Amb27861236 [0,1,0,0,1,0|2,0,0]=4 464 B12R1.895 CC(=O)CCc1c(Cl)ncn1C Amb33222491 [0,1,0,0,1,0|2,0,0]=4 465 B14R1.96 CC(=O)OCCc1ccccc1CCl Amb2781515 [0,1,0,0,0,1|2,0,0]=4 466 B14R1.239 Cc1ncsc1CSCC(N)C(=O)O Amb19882255 [0,1,0,0,0,1|2,0,0]=4 467 B14R1.819 Cc1ncsc1C#CCNC(=O)CN Amb35632413 [0,1,0,0,0,1|1,0,1]=4 468 B14R1.4379 Cc1nc(N)sc1CCCCC(=O)O Amb32430153 [0,1,0,0,0,1|2,0,0]=4 469 B14R1.4354 Cc1nc(C)c(C(O)CCC(=O)O)s1 Amb18173346 [0,2,0,0,0,0|2,0,0]=4 470 B14R1.4461 COC(=O)CCC(N)c1sccc1C Amb33358857 [0,2,0,0,0,0|2,0,0]=4 471 B14R1.4461 COC(=O)CCC(N)c1scnc1C Amb32875921 [0,2,0,0,0,0|1,0,0]=3 472 B14R1.948 CCCC(=O)OCCc1scnc1C Amb8392851 [0,2,0,0,0,0|0,0,0]=2 473 B14R1.2971 COC(=O)CCCc1sc(N)nc1C Amb32430148 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.125 CC(=O)OCc1cccnc1C Amb22750508 [0,0,1,1,0,0|1,0,1]=4 475 B12R2.6 O=C1CC(c2cccs2)CN1 Amb13783611 [1,0,0,1,0,0|2,0,0]=4 476 B12R2.6 O=C1CC(c2cnco2)CN1 Amb33319910 [1,0,0,1,0,0|1,1,0]=4 477 B12R2.6 O=C1CC(c2cncs2)CN1 Amb26889230 [1,0,0,1,0,0|1,0,0]=3 478 B12R2.6 O=C1CC(c2cncs2)NN1 Amb35686069 [1,0,0,1,0,0|2,0,0]=4 479 B12R2.6 O=C1CCC(c2cccs2)C1 Amb17138616 [1,0,0,1,0,0|2,0,0]=4 480 B12R2.6 O=C1CCC(c2cncs2)C1 Amb35612877 [1,0,0,1,0,0|1,0,0]=3 481 B12R2.6 O=C1CC[C@@H](c2cccs2)C1 Amb27861302 [1,0,0,1,0,0|2,0,0]=4 482 B12R2.6 O=C1COC(c2cncs2)C1 Amb35734191 [1,0,0,1,0,0|2,0,0]=4 483 B12R2.6 O=C1NC(c2cccs2)CO1 Amb26368877 [1,0,0,1,0,0|2,0,0]=4 484 B12R2.6 O=C1NC(c2cnco2)CO1 Amb33319569 [1,0,0,1,0,0|1,1,0]=4 485 B12R2.6 O=C1NC(c2cncs2)CO1 Amb25776417 [1,0,0,1,0,0|1,0,0]=3 486 B12R2.6 O=C1NCC(c2cncs2)O1 Amb33268054 [1,0,0,1,0,0|2,0,0]=4 487 B12R2.6 O=C1N[C@@H](c2cccs2)CO1 Amb28317891 [1,0,0,1,0,0|2,0,0]=4 488 B12R2.6 O=C1N[C@H](c2cccs2)CO1 Amb27440711 [1,0,0,1,0,0|2,0,0]=4 489 B12R2.114 O=C1CCCc2sccc2C1 Amb24553612 [1,0,0,1,0,0|2,0,0]=4 490 B12R2.136 O=C1CC(Cc2cccs2)N1 Amb27752060 [1,0,0,1,0,0|2,0,0]=4 491 B12R2.1354 CC(=O)C1CC1c2cccs2 Amb4084923 [1,0,0,1,0,0|2,0,0]=4 492 B12R2.1354 CC(=O)[C@@H]1C[C@@H]1c2cccs2 Amb34916214 [1,0,0,1,0,0|2,0,0]=4 493 B12R2.1354 CC(=O)[C@@H]1C[C@H]1c2cccs2 Amb27259667 [1,0,0,1,0,0|2,0,0]=4 494 B12R2.1354 CC(=O)[C@H]1C[C@@H]1c2cccs2 Amb25286323 [1,0,0,1,0,0|2,0,0]=4 495 B12R2.1354 O=C(O)C1CC1c2cncs2 Amb24488090 [1,0,0,1,0,0|2,0,0]=4 496 B12R2.1354 O=C(O)[C@@H]1C[C@H]1c2cncs2 Amb33269824 [1,0,0,1,0,0|2,0,0]=4 497 B12R2.1362 O=C(O)[C@H]1CCc2scnc21 Amb27955903 [1,0,0,1,0,0|2,0,0]=4 498 B12R2.10 Brc1ncsc1C2CCOC2 Amb24317563 [1,0,0,1,0,0|1,0,1]=4 499 B12R2.10 Cc1ncsc1C2CCNC2 Amb18199170 [1,0,0,1,0,0|1,0,1]=4 500 B12R2.44 O=CC1CCc2sccc2C1 Amb18827444 [1,0,0,1,0,0|2,0,0]=4 501 B12R2.44 O=CN1CCc2sccc2C1 Amb28240889 [1,0,0,1,0,0|2,0,0]=4 502 B12R2.1114 Cc1ncsc1CC2CNC2 Amb33456610 [1,0,0,1,0,0|2,0,0]=4 503 B12R2.111 Cc1ccsc1C2CC(=O)C2 Amb27668420 [0,0,0,1,1,0|1,0,0]=3 504 B12R2.111 Cc1ccsc1C2CC(=O)N2 Amb24504904 [0,0,0,1,1,0|2,0,0]=4 505 B12R2.111 Cc1nnsc1C2CC(=O)N2 Amb28146386 [0,0,0,1,1,0|2,0,0]=4 506 B12R2.111 Cn1nccc1C2CC(=O)C2 Amb26049062 [0,0,0,1,1,0|2,0,0]=4 507 B12R2.252 O=C(O)C1Cc2ccsc2C1 Amb10603806 [0,0,0,1,1,0|2,0,0]=4 508 B14R2.22 Cc1cc(C2CCC(=O)C2)ccn1 Amb28047343 [0,0,0,1,0,1|2,0,0]=4 509 B14R2.22 Cc1cc(C2CNC(=O)C2)ccn1 Amb26047750 [0,0,0,1,0,1|2,0,0]=4 510 B14R2.22 Cc1cc(C2COC(=O)N2)ccn1 Amb32732795 [0,0,0,1,0,1|2,0,0]=4 511 B14R2.22 Cc1cccc(C2COC(=O)C2)c1 Amb33353528 [0,0,0,1,0,1|2,0,0]=4 512 B14R2.256 Cc1ccccc1C2COC(=O)C2 Amb33495540 [0,0,0,1,0,1|2,0,0]=4 513 B14R2.256 Cc1cnccc1C2CNC(=O)C2 Amb25317971 [0,0,0,1,0,1|2,0,0]=4 514 B14R2.256 Cc1cnccc1C2COC(=O)N2 Amb33456811 [0,0,0,1,0,1|2,0,0]=4 515 B14R2.256 Cc1ncccc1C2CNC(=O)C2 Amb23586022 [0,0,0,1,0,1|2,0,0]=4 516 B14R2.256 Cc1ncccc1C2COC(=O)N2 Amb32878318 [0,0,0,1,0,1|2,0,0]=4 517 B14R2.256 Cc1nccnc1C2CNC(=O)C2 Amb33142520 [0,0,0,1,0,1|2,0,0]=4 518 B14R2.256 Cc1nccnc1C2COC(=O)N2 Amb33141701 [0,0,0,1,0,1|2,0,0]=4 519 B14R2.256 Cc1ncncc1C2CNC(=O)C2 Amb32876695 [0,0,0,1,0,1|2,0,0]=4 520 B14R2.256 Cc1ncncc1C2COC(=O)N2 Amb32876687 [0,0,0,1,0,1|2,0,0]=4 521 B14R2.5443 CC(=O)C1CC1c2nccnc2C Amb35601040 [0,0,0,1,0,1|2,0,0]=4 522 B14R2.31137 CC(=O)OCC1Cc2ccccc21 Amb27774602 [0,0,0,1,0,1|2,0,0]=4 523 B14R2.269 Cc1ccsc1C2CC(=O)CCN2 Amb18189283 [0,0,0,1,0,1|2,0,0]=4 524 B14R2.269 Cc1ccsc1C2CCCC(=O)C2 Amb28132030 [0,0,0,1,0,1|2,0,0]=4 525 B14R2.269 Cc1ccsc1[C@@H]2CCOC(=O)N2 Amb27480767 [0,0,0,1,0,1|2,0,0]=4 526 B14R2.269 Cc1ncsc1C2=CC(=O)CCC2 Amb30027112 [0,0,0,1,0,1|1,0,1]=4 527 B14R2.269 Cc1ncsc1C2CCCC(=O)C2 Amb30027114 [0,0,0,1,0,1|1,0,0]=3 528 B14R2.1008 O=C(O)CC1CCc2scnc2C1 Amb18188439 [0,0,0,1,0,1|2,0,0]=4 529 B14R2.5205 Cc1ncsc1C2CCC2C(=O)O Amb29878200 [0,0,0,1,0,1|2,0,0]=4 530 B14R2.97 CCc1ccsc1C2CNC(=O)C2 Amb32728979 [0,1,0,1,0,0|2,0,0]=4 531 B14R2.97 CCc1ccsc1C2COC(=O)N2 Amb32728976 [0,1,0,1,0,0|2,0,0]=4 532 B14R2.5998 CC(=O)N1CCc2sccc2C1C Amb8327825 [0,1,0,1,0,0|2,0,0]=4 533 B14R2.926 Cc1ccsc1C2CCC(=O)CC2 Amb28366964 [0,1,0,1,0,0|2,0,0]=4 534 B14R2.13610 Cc1ccsc1C2(C)CNC(=O)C2 Amb28363963 [0,1,0,1,0,0|2,0,0]=4 535 B14R2.13610 Cc1ncsc1C2(C)CCC(=O)C2 Amb30027113 [0,1,0,1,0,0|1,0,0]=3 536 B14R2.13610 Cc1ncsc1C2(O)COC(C)C2 Amb30027012 [0,1,0,1,0,0|1,0,1]=4 537 B14R2.5719 CC(=O)N1CCc2c(ncn2C)C1 Amb27586093 [0,1,0,1,0,0|2,0,0]=4 538 B14R2.370 Cc1ccsc1C2CC(=O)OC2=O Amb33202887 [0,1,0,1,0,0|1,0,1]=4 539 B14R2.370 Cc1ncsc1C2CC(=O)OC2=O Amb33271231 [0,1,0,1,0,0|0,0,1]=3 540 B14R2.370 Cc1ncsc1C2NC(=O)OC2=O Amb33625039 [0,1,0,1,0,0|1,0,1]=4 541 B14R2.370 Cc1nnsc1C2CC(=O)NC2C Amb27231999 [0,1,0,1,0,0|2,0,0]=4 542 B14R2.966 CCC(=O)N1CCc2sccc2C1 Amb24630952 [0,1,0,1,0,0|2,0,0]=4 543 B14R2.966 CNC(=O)C1CCc2scnc2C1 Amb28364946 [0,1,0,1,0,0|1,0,0]=3 544 B14R2.966 NCC(=O)N1CCc2sccc2C1 Amb1111556 [0,1,0,1,0,0|2,0,0]=4 545 B14R2.966 NCC(=O)N1CCc2sccc2C1 Amb13952651 [0,1,0,1,0,0|2,0,0]=4 546 B14R2.966 O=C(CBr)N1CCc2sccc2C1 Amb28078068 [0,1,0,1,0,0|2,0,0]=4 547 B14R2.966 O=C(CCl)N1CCc2sccc2C1 Amb509773 [0,1,0,1,0,0|2,0,0]=4 548 B14R2.4747 Cc1ccsc1C2CCC(=O)C2C Amb28457803 [0,1,0,1,0,0|2,0,0]=4 549 B14R2.4747 Cc1ncsc1C2CCC(=O)C2C Amb30027115 [0,1,0,1,0,0|1,0,0]=3 550 B14R2.5216 Cc1ncsc1CCOC2CNC2 Amb19031048 [0,1,0,1,0,0|1,0,1]=4 551 B14R2.10644 COC(=O)C1CC1c2sccc2C Amb28349565 [0,1,0,1,0,0|2,0,0]=4 552 B14R2.258 Cc1nc(C)c(C2CC(=O)CO2)s1 Amb35734189 [0,1,0,1,0,0|2,0,0]=4 553 B14R2.258 Cc1nc(C)c(C2CC(=O)NN2)s1 Amb35686070 [0,1,0,1,0,0|2,0,0]=4 554 B14R2.258 Cc1nc(C)c(C2COC(=O)N2)s1 Amb27645598 [0,1,0,1,0,0|1,0,0]=3 555 B14R2.601 CC(=O)N1CCc2sc(N)cc2C1 Amb28398527 [0,1,0,1,0,0|2,0,0]=4 556 B14R2.601 CC(=O)N1CCc2sc(O)cc2C1 Amb35744686 [0,1,0,1,0,0|2,0,0]=4 557 B14R2.27758 Cc1nc(C)c(C2CC2C(=O)O)s1 Amb27423157 [0,1,0,1,0,0|2,0,0]=4 558 B10R0.57 CC(=O)OCC(=O)\C(C)=N/O Amb27672436 [0,0,1,0,1,0|1,1,0]=4 559 B10R0.57 CC(=O)OCC(=O)\C(C)=N\O Amb27672611 [0,0,1,0,1,0|1,1,0]=4 560 B10R1.66 CC(=O)CCc1ccco1 Amb1107538 [1,0,0,0,1,0|1,1,0]=4 561 B10R1.66 CC(=O)CCc1cccs1 Amb5740049 [1,0,0,0,1,0|1,0,0]=3 562 B10R1.66 CC(=O)CCc1ccoc1 Amb27425020 [1,0,0,0,1,0|2,0,0]=4 563 B10R1.66 CC(=O)CCc1ccsc1 Amb33532312 [1,0,0,0,1,0|2,0,0]=4 564 B10R1.66 CC(=O)CCc1cnco1 Amb18832107 [1,0,0,0,1,0|0,1,0]=3 565 B10R1.66 CC(=O)CCc1cncs1 Amb27469825 [1,0,0,0,1,0|0,0,0]=2 566 B10R1.66 CC(=O)CCc1cnsc1 Amb27855513 [1,0,0,0,1,0|2,0,0]=4 567 B10R1.66 CC(=O)CCc1cscn1 Amb25133415 [1,0,0,0,1,0|2,0,0]=4 568 B10R1.66 CC(=O)CCc1nccs1 Amb17334384 [1,0,0,0,1,0|2,0,0]=4 569 B10R1.66 CC(=O)CCc1nnco1 Amb27169119 [1,0,0,0,1,0|1,1,0]=4 570 B10R1.66 CC(=O)CCn1cncn1 Amb7777315 [1,0,0,0,1,0|2,0,0]=4 571 B10R1.66 CC(=O)CSc1cccs1 Amb2724458 [1,0,0,0,1,0|2,0,0]=4 572 B10R1.66 CC(=O)CSc1nncs1 Amb6892447 [1,0,0,0,1,0|2,0,0]=4 573 B10R1.66 CC(=O)NCc1cccs1 Amb1218150 [1,0,0,0,1,0|2,0,0]=4 574 B10R1.66 CC(=O)NCc1cncs1 Amb27955071 [1,0,0,0,1,0|1,0,0]=3 575 B10R1.66 CC(=O)OCc1ccco1 Amb4334378 [1,0,0,0,1,0|1,1,0]=4 576 B10R1.66 CC(=O)OCc1ccoc1 Amb6358129 [1,0,0,0,1,0|2,0,0]=4 577 B10R1.66 CC(=O)OCc1cnon1 Amb24482118 [1,0,0,0,1,0|2,0,0]=4 578 B10R1.66 CC(=O)OCc1nccs1 Amb26079763 [1,0,0,0,1,0|2,0,0]=4 579 B10R1.66 CC(=O)\C=C\c1cncs1 Amb33359799 [1,0,0,0,1,0|0,0,2]=4 580 B10R1.66 CC(N)CCc1cncs1 Amb18200101 [1,0,0,0,1,0|1,0,1]=4 581 B10R1.66 CC(O)CCc1cncs1 Amb25700591 [1,0,0,0,1,0|0,0,2]=4 582 B10R1.66 C[C@@H](N)CCc1cncs1 Amb33269145 [1,0,0,0,1,0|1,0,1]=4 583 B10R1.66 C[C@@H](O)CCc1cncs1 Amb33269146 [1,0,0,0,1,0|0,0,2]=4 584 B10R1.66 C[C@H](N)CCc1cncs1 Amb33269144 [1,0,0,0,1,0|1,0,1]=4 585 B10R1.66 C[C@H](O)CCc1cncs1 Amb33225052 [1,0,0,0,1,0|0,0,2]=4 586 B10R1.66 NC(=O)CCc1cncs1 Amb27881697 [1,0,0,0,1,0|1,0,0]=3 587 B10R1.66 NC(=O)NCc1cncs1 Amb27954834 [1,0,0,0,1,0|2,0,0]=4 588 B10R1.66 O=C(Cl)CCc1cccs1 Amb23440823 [1,0,0,0,1,0|2,0,0]=4 589 B10R1.66 O=C(Cl)CCc1cncs1 Amb28135731 [1,0,0,0,1,0|1,0,0]=3 590 B10R1.66 O=C(Cl)OCc1cccs1 Amb28049418 [1,0,0,0,1,0|2,0,0]=4 591 B10R1.66 O=C(Cl)OCc1cncs1 Amb33297341 [1,0,0,0,1,0|1,0,0]=3 592 B10R1.66 O=C(Cl)OCc1cnns1 Amb33297424 [1,0,0,0,1,0|2,0,0]=4 593 B10R1.66 O=C(O)CCc1cccs1 Amb1154297 [1,0,0,0,1,0|2,0,0]=4 594 B10R1.66 O=C(O)CCc1cnco1 Amb22011672 [1,0,0,0,1,0|1,1,0]=4 595 B10R1.66 O=C(O)CCc1cncs1 Amb18830641 [1,0,0,0,1,0|1,0,0]=3 596 B10R1.66 O=C(O)CCc1cncs1 Amb32661213 [1,0,0,0,1,0|1,0,0]=3 597 B10R1.66 O=C(O)CCc1cnns1 Amb24436641 [1,0,0,0,1,0|2,0,0]=4 598 B10R1.66 O=C(O)COc1cncs1 Amb33268052 [1,0,0,0,1,0|2,0,0]=4 599 B10R1.66 O=C([O-])CCc1cccs1 Amb33512993 [1,0,0,0,1,0|2,0,0]=4 600 B10R1.66 O=[N+]([O-])CCc1cncs1 Amb33456690 [1,0,0,0,1,0|2,0,0]=4 601 B10R1.64 CC(=O)Cc1ccnn1C Amb32954329 [0,0,0,0,2,0|2,0,0]=4 602 B10R1.64 CC(=O)Cc1ccoc1C Amb33447489 [0,0,0,0,2,0|2,0,0]=4 603 B10R1.64 CC(=O)Cc1nonc1C Amb24432975 [0,0,0,0,2,0|2,0,0]=4 604 B10R1.64 CC(=O)Cc1occc1C Amb26431468 [0,0,0,0,2,0|1,1,0]=4 605 B10R1.64 CC(=O)Cc1sccc1Br Amb27424961 [0,0,0,0,2,0|2,0,0]=4 606 B10R1.64 CC(=O)Cc1sccc1C Amb17477801 [0,0,0,0,2,0|1,0,0]=3 607 B10R1.64 CC(=O)Cc1sccc1Cl Amb27632186 [0,0,0,0,2,0|2,0,0]=4 608 B10R1.64 CC(=O)Cc1scnc1C Amb32877659 [0,0,0,0,2,0|0,0,0]=2 609 B10R1.64 CC(=O)Cn1ccnc1C Amb22587128 [0,0,0,0,2,0|2,0,0]=4 610 B10R1.64 CC(=O)Cn1ccnc1C Amb9664340 [0,0,0,0,2,0|2,0,0]=4 611 B10R1.64 CC(=O)Nc1ocnc1C Amb27606018 [0,0,0,0,2,0|1,1,0]=4 612 B10R1.64 CC(=O)Nc1scnc1Br Amb27394803 [0,0,0,0,2,0|2,0,0]=4 613 B10R1.64 CC(=O)Oc1ccsc1C Amb27193810 [0,0,0,0,2,0|2,0,0]=4 614 B10R1.64 CC(=O)Oc1sccc1N Amb10071362 [0,0,0,0,2,0|2,0,0]=4 615 B10R1.64 Cc1ccsc1CC(=O)O Amb33530091 [0,0,0,0,2,0|2,0,0]=4 616 B10R1.64 Cc1ccsc1CC(N)=O Amb27770390 [0,0,0,0,2,0|2,0,0]=4 617 B10R1.64 Cc1ncoc1CC(=O)O Amb17399865 [0,0,0,0,2,0|1,1,0]=4 618 B10R1.64 Cc1ncsc1CC(=N)N Amb33271182 [0,0,0,0,2,0|2,0,0]=4 619 B10R1.64 Cc1ncsc1CC(=O)O Amb8385791 [0,0,0,0,2,0|1,0,0]=3 620 B10R1.64 Cc1ncsc1CC(C)Br Amb33006856 [0,0,0,0,2,0|1,0,1]=4 621 B10R1.64 Cc1ncsc1CC(C)Cl Amb28385639 [0,0,0,0,2,0|1,0,1]=4 622 B10R1.64 Cc1ncsc1CC(C)O Amb33474314 [0,0,0,0,2,0|0,0,2]=4 623 B10R1.64 Cc1ncsc1CC(N)=S Amb33272489 [0,0,0,0,2,0|1,1,0]=4 624 B10R1.64 Cc1ncsc1CN(C)C Amb24072786 [0,0,0,0,2,0|2,0,0]=4 625 B10R1.64 Cc1ncsc1CN(C)O Amb32876340 [0,0,0,0,2,0|1,0,1]=4 626 B10R1.64 Cc1ncsc1C[C@@H](C)N Amb32875944 [0,0,0,0,2,0|1,0,1]=4 627 B10R1.64 Cc1ncsc1C[C@@H](C)O Amb32875998 [0,0,0,0,2,0|0,0,2]=4 628 B10R1.64 Cc1ncsc1C[C@H](C)N Amb32875943 [0,0,0,0,2,0|1,0,1]=4 629 B10R1.64 Cc1ncsc1C[C@H](C)O Amb32875999 [0,0,0,0,2,0|0,0,2]=4 630 B10R1.64 Cc1ncsc1C[N+](=O)[O-] Amb32875933 [0,0,0,0,2,0|2,0,0]=4 631 B10R1.64 Cc1nnsc1CC(=O)O Amb18830500 [0,0,0,0,2,0|2,0,0]=4 632 B10R1.64 Cc1nnsc1CC(N)=O Amb27238641 [0,0,0,0,2,0|2,0,0]=4 633 B10R1.64 O=C(O)Cc1scnc1Br Amb18161023 [0,0,0,0,2,0|2,0,0]=4 634 B12R1.267 Cc1cnccc1CCCC=O Amb33426425 [1,0,0,0,0,1|2,0,0]=4 635 B12R1.267 Cc1ncccc1CCCC=O Amb32878337 [1,0,0,0,0,1|2,0,0]=4 636 B12R1.267 Cc1nccnc1CCCC=O Amb33141625 [1,0,0,0,0,1|2,0,0]=4 637 B12R1.267 Cc1ncncc1CCCC=O Amb33149069 [1,0,0,0,0,1|2,0,0]=4 638 B12R1.267 Cc1ncncc1CCNC=O Amb27790870 [1,0,0,0,0,1|2,0,0]=4