0 B10R1.66 C=C(C)CCn1cncn1 Amb27800397 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.66 C=C(O)OCc1ccco1 Amb27861064 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.66 CC(=O)CCC1=CCCO1 Amb27424851 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.66 CC(=O)CCC1=NCCO1 Amb28146011 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.66 CC(=O)CCc1ccco1 Amb1107538 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.66 CC(=O)CCc1cccs1 Amb5740049 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.66 CC(=O)CCc1ccoc1 Amb27425020 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.66 CC(=O)CCc1ccon1 Amb18832105 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.66 CC(=O)CCc1ccsc1 Amb33532312 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.66 CC(=O)CCc1ccsn1 Amb27190352 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.66 CC(=O)CCc1cnco1 Amb18832107 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.66 CC(=O)CCc1cncs1 Amb27469825 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.66 CC(=O)CCc1cnsc1 Amb27855513 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.66 CC(=O)CCc1cscn1 Amb25133415 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.66 CC(=O)CCc1csnn1 Amb24537997 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.66 CC(=O)CCc1ncco1 Amb18832106 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.66 CC(=O)CCc1nccs1 Amb17334384 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.66 CC(=O)CCc1nnco1 Amb27169119 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.66 CC(=O)CCn1cccn1 Amb594009 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.66 CC(=O)CCn1cncn1 Amb7777315 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.66 CC(=O)CCn1cnnn1 Amb26981337 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.66 CC(=O)CSc1cccs1 Amb2724458 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.66 CC(=O)CSc1ccsc1 Amb27164562 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.66 CC(=O)CSc1ncns1 Amb27865258 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.66 CC(=O)NCc1ccco1 Amb1209246 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.66 CC(=O)NCc1cccs1 Amb1218150 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.66 CC(=O)NCc1ccoc1 Amb27785725 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.66 CC(=O)NCc1ccon1 Amb28049485 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.66 CC(=O)NCc1ccsc1 Amb10945323 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.66 CC(=O)NCc1cncs1 Amb27955071 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.66 CC(=O)NCc1csnn1 Amb27845622 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.66 CC(=O)OCc1ccco1 Amb4334378 [0,0,0,0,0,0|4,0,0]=4 32 B10R1.66 CC(=O)OCc1ccoc1 Amb6358129 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.66 CC(=O)OCc1cnon1 Amb24482118 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.66 CC(=O)OCc1csnn1 Amb27197874 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.66 CC(=O)OCc1nccs1 Amb26079763 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.66 CC(=O)\C=C\c1cscn1 Amb32954498 [0,0,0,0,0,0|2,0,2]=4 37 B10R1.66 CC(N)CCc1cscn1 Amb26020624 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.66 CC(O)CCc1ccco1 Amb9358376 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.66 CC(O)CCc1cccs1 Amb17507262 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.66 CC(O)CCc1ccoc1 Amb25766119 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.66 CC(O)CCc1ccon1 Amb33198308 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.66 CC(O)CCc1ccsc1 Amb18799744 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.66 CC(O)CCc1ccsn1 Amb27810501 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.66 CC(O)CCc1cnco1 Amb33414823 [0,0,0,0,0,0|2,0,2]=4 45 B10R1.66 CC(O)CCc1cncs1 Amb25700591 [0,0,0,0,0,0|2,0,2]=4 46 B10R1.66 CC(O)CCc1cscn1 Amb24701386 [0,0,0,0,0,0|2,0,1]=3 47 B10R1.66 CC(O)CCc1csnn1 Amb26567061 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.66 CC(O)CCc1nccs1 Amb27837795 [0,0,0,0,0,0|3,0,1]=4 49 B10R1.66 CC(O)CCn1cccn1 Amb24271123 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.66 C[C@@H](N)CCc1cscn1 Amb33318884 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.66 C[C@@H](O)CCc1ccco1 Amb27763861 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.66 C[C@@H](O)CCc1cccs1 Amb33360886 [0,0,0,0,0,0|3,0,1]=4 53 B10R1.66 C[C@@H](O)CCc1ccoc1 Amb33360610 [0,0,0,0,0,0|3,0,1]=4 54 B10R1.66 C[C@@H](O)CCc1ccon1 Amb33198306 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.66 C[C@@H](O)CCc1ccsc1 Amb33428925 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.66 C[C@@H](O)CCc1cnco1 Amb33414821 [0,0,0,0,0,0|2,0,2]=4 57 B10R1.66 C[C@@H](O)CCc1cncs1 Amb33269146 [0,0,0,0,0,0|2,0,2]=4 58 B10R1.66 C[C@@H](O)CCc1cscn1 Amb33418180 [0,0,0,0,0,0|2,0,1]=3 59 B10R1.66 C[C@@H](O)CCc1csnn1 Amb33321627 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.66 C[C@@H](O)CCc1nccs1 Amb33311512 [0,0,0,0,0,0|3,0,1]=4 61 B10R1.66 C[C@@H](O)CCn1cccn1 Amb32727145 [0,0,0,0,0,0|3,0,1]=4 62 B10R1.66 C[C@@H](O)CCn1cncn1 Amb32725958 [0,0,0,0,0,0|2,0,2]=4 63 B10R1.66 C[C@H](N)CCc1cscn1 Amb33318883 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.66 C[C@H](O)CCc1ccco1 Amb28321432 [0,0,0,0,0,0|3,0,1]=4 65 B10R1.66 C[C@H](O)CCc1cccs1 Amb33360887 [0,0,0,0,0,0|3,0,1]=4 66 B10R1.66 C[C@H](O)CCc1ccoc1 Amb33360611 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.66 C[C@H](O)CCc1ccon1 Amb33198307 [0,0,0,0,0,0|3,0,1]=4 68 B10R1.66 C[C@H](O)CCc1ccsc1 Amb33428926 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.66 C[C@H](O)CCc1cnco1 Amb33414822 [0,0,0,0,0,0|2,0,2]=4 70 B10R1.66 C[C@H](O)CCc1cncs1 Amb33225052 [0,0,0,0,0,0|2,0,2]=4 71 B10R1.66 C[C@H](O)CCc1cscn1 Amb33418181 [0,0,0,0,0,0|2,0,1]=3 72 B10R1.66 C[C@H](O)CCc1csnn1 Amb33321628 [0,0,0,0,0,0|3,0,1]=4 73 B10R1.66 C[C@H](O)CCc1nccs1 Amb33312078 [0,0,0,0,0,0|3,0,1]=4 74 B10R1.66 C[C@H](O)CCn1cccn1 Amb32727143 [0,0,0,0,0,0|3,0,1]=4 75 B10R1.66 C[C@H](O)CCn1cncn1 Amb32725956 [0,0,0,0,0,0|2,0,2]=4 76 B10R1.66 N=C(N)CCc1ccco1 Amb18063862 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.66 N=C(N)CCc1cccs1 Amb18065430 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.66 N=C(N)CCc1ccsc1 Amb27165624 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.66 N=C(N)CCc1cscn1 Amb27193382 [0,0,0,0,0,0|3,0,0]=3 80 B10R1.66 N=C(N)CCn1cccn1 Amb6273628 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.66 N=C(N)CCn1cncn1 Amb33551456 [0,0,0,0,0,0|3,0,1]=4 82 B10R1.66 N=C(N)CCn1cncn1 Amb6279746 [0,0,0,0,0,0|3,0,1]=4 83 B10R1.66 N=C(N)NCc1cscn1 Amb27646854 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.66 NC(=O)CCC1=NCCC1 Amb27230086 [0,0,0,0,0,0|2,0,2]=4 85 B10R1.66 NC(=O)CCc1cncs1 Amb27881697 [0,0,0,0,0,0|2,0,1]=3 86 B10R1.66 NC(=O)CCn1cccn1 Amb9173659 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.66 NC(=O)CCn1ccnc1 Amb4322794 [0,0,0,0,0,0|3,0,1]=4 88 B10R1.66 NC(=O)CNc1ncns1 Amb27823569 [0,0,0,0,0,0|3,0,1]=4 89 B10R1.66 NC(=O)CSc1cccs1 Amb4330204 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.66 NC(=O)CSc1ncns1 Amb28384337 [0,0,0,0,0,0|3,0,1]=4 91 B10R1.66 NC(=O)NCc1ccco1 Amb1105644 [0,0,0,0,0,0|4,0,0]=4 92 B10R1.66 NC(=O)NCc1cccs1 Amb1106145 [0,0,0,0,0,0|4,0,0]=4 93 B10R1.66 NC(=O)NCc1cncs1 Amb27954834 [0,0,0,0,0,0|3,0,1]=4 94 B10R1.66 NC(=O)NCc1cocn1 Amb28045654 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.66 NC(=O)NCc1cscn1 Amb27394421 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.66 NC(=O)NCc1nccs1 Amb18791803 [0,0,0,0,0,0|4,0,0]=4 97 B10R1.66 NC(=O)OCc1ccco1 Amb28424169 [0,0,0,0,0,0|4,0,0]=4 98 B10R1.66 NC(=O)\C=C\c1cscn1 Amb28370560 [0,0,0,0,0,0|2,0,2]=4 99 B10R1.66 NC(=S)CCc1ccsc1 Amb25850668 [0,0,0,0,0,0|3,1,0]=4 100 B10R1.66 NC(=S)CCn1cccn1 Amb6267685 [0,0,0,0,0,0|3,1,0]=4 101 B10R1.66 NC(=S)CCn1cncn1 Amb6266959 [0,0,0,0,0,0|2,1,1]=4 102 B10R1.66 NC(=S)NCc1cocn1 Amb27786588 [0,0,0,0,0,0|3,1,0]=4 103 B10R1.66 NC(=S)NCc1cscn1 Amb28365991 [0,0,0,0,0,0|3,1,0]=4 104 B10R1.66 O=C(Cl)CCc1cccs1 Amb23440823 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.66 O=C(Cl)CCc1ccoc1 Amb27636729 [0,0,0,0,0,0|3,0,0]=3 106 B10R1.66 O=C(Cl)CCc1ccsc1 Amb28041943 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.66 O=C(Cl)CCc1cncs1 Amb28135731 [0,0,0,0,0,0|2,0,1]=3 108 B10R1.66 O=C(Cl)CCc1nccs1 Amb27192253 [0,0,0,0,0,0|3,0,0]=3 109 B10R1.66 O=C(Cl)COc1ccon1 Amb28122842 [0,0,0,0,0,0|4,0,0]=4 110 B10R1.66 O=C(Cl)NCc1ccco1 Amb35636921 [0,0,0,0,0,0|4,0,0]=4 111 B10R1.66 O=C(Cl)NCc1cccs1 Amb30028127 [0,0,0,0,0,0|4,0,0]=4 112 B10R1.66 O=C(Cl)NCc1ccoc1 Amb35625730 [0,0,0,0,0,0|4,0,0]=4 113 B10R1.66 O=C(Cl)NCc1ccsc1 Amb35625666 [0,0,0,0,0,0|4,0,0]=4 114 B10R1.66 O=C(Cl)OCc1ccco1 Amb26542188 [0,0,0,0,0,0|4,0,0]=4 115 B10R1.66 O=C(Cl)OCc1cccs1 Amb28049418 [0,0,0,0,0,0|4,0,0]=4 116 B10R1.66 O=C(Cl)OCc1ccon1 Amb33297270 [0,0,0,0,0,0|4,0,0]=4 117 B10R1.66 O=C(Cl)OCc1cncs1 Amb33297341 [0,0,0,0,0,0|3,0,1]=4 118 B10R1.66 O=C(Cl)OCc1cnon1 Amb33296507 [0,0,0,0,0,0|3,0,1]=4 119 B10R1.66 O=C(Cl)OCc1cscn1 Amb27228378 [0,0,0,0,0,0|3,0,0]=3 120 B10R1.66 O=C(O)C#Cc1ccco1 Amb20672984 [0,0,0,0,0,0|2,0,2]=4 121 B10R1.66 O=C(O)C#Cc1cccs1 Amb17138439 [0,0,0,0,0,0|2,0,2]=4 122 B10R1.66 O=C(O)C#Cc1ccoc1 Amb25873565 [0,0,0,0,0,0|2,0,2]=4 123 B10R1.66 O=C(O)C#Cc1ccon1 Amb33168945 [0,0,0,0,0,0|2,0,2]=4 124 B10R1.66 O=C(O)C#Cc1ccsc1 Amb27770370 [0,0,0,0,0,0|2,0,2]=4 125 B10R1.66 O=C(O)C#Cc1ccsn1 Amb26624299 [0,0,0,0,0,0|2,0,2]=4 126 B10R1.66 O=C(O)C#Cc1cnco1 Amb33168946 [0,0,0,0,0,0|1,0,3]=4 127 B10R1.66 O=C(O)C#Cc1cncs1 Amb24537958 [0,0,0,0,0,0|1,0,3]=4 128 B10R1.66 O=C(O)C#Cc1cocn1 Amb33169004 [0,0,0,0,0,0|1,0,2]=3 129 B10R1.66 O=C(O)C#Cc1cscn1 Amb27838921 [0,0,0,0,0,0|1,0,2]=3 130 B10R1.66 O=C(O)C#Cc1csnn1 Amb27770386 [0,0,0,0,0,0|2,0,2]=4 131 B10R1.66 O=C(O)C#Cc1nccs1 Amb26982316 [0,0,0,0,0,0|2,0,2]=4 132 B10R1.66 O=C(O)CCC1=CCCC1 Amb27591549 [0,0,0,0,0,0|2,0,1]=3 133 B10R1.66 O=C(O)CCC1=NCCS1 Amb27796241 [0,0,0,0,0,0|2,0,1]=3 134 B10R1.66 O=C(O)CCC1CC=CC1 Amb27619695 [0,0,0,0,0,0|2,0,2]=4 135 B10R1.66 O=C(O)CCC1CCNC1 Amb20668417 [0,0,0,0,0,0|1,0,3]=4 136 B10R1.66 O=C(O)CCC1CCNC1 Amb22059448 [0,0,0,0,0,0|1,0,3]=4 137 B10R1.66 O=C(O)CCc1ccco1 Amb1153073 [0,0,0,0,0,0|2,0,0]=2 138 B10R1.66 O=C(O)CCc1cccs1 Amb1154297 [0,0,0,0,0,0|2,0,0]=2 139 B10R1.66 O=C(O)CCc1ccno1 Amb1092001 [0,0,0,0,0,0|2,0,1]=3 140 B10R1.66 O=C(O)CCc1ccns1 Amb18830640 [0,0,0,0,0,0|2,0,1]=3 141 B10R1.66 O=C(O)CCc1ccoc1 Amb18643489 [0,0,0,0,0,0|2,0,0]=2 142 B10R1.66 O=C(O)CCc1ccon1 Amb8009421 [0,0,0,0,0,0|2,0,0]=2 143 B10R1.66 O=C(O)CCc1ccsc1 Amb1153814 [0,0,0,0,0,0|2,0,0]=2 144 B10R1.66 O=C(O)CCc1ccsn1 Amb18830643 [0,0,0,0,0,0|2,0,0]=2 145 B10R1.66 O=C(O)CCc1cnco1 Amb22011672 [0,0,0,0,0,0|1,0,1]=2 146 B10R1.66 O=C(O)CCc1cncs1 Amb18830641 [0,0,0,0,0,0|1,0,1]=2 147 B10R1.66 O=C(O)CCc1cncs1 Amb32661213 [0,0,0,0,0,0|1,0,1]=2 148 B10R1.66 O=C(O)CCc1cnns1 Amb24436641 [0,0,0,0,0,0|2,0,1]=3 149 B10R1.66 O=C(O)CCc1cnoc1 Amb8009420 [0,0,0,0,0,0|2,0,1]=3 150 B10R1.66 O=C(O)CCc1cnon1 Amb18202653 [0,0,0,0,0,0|1,0,1]=2 151 B10R1.66 O=C(O)CCc1cnsc1 Amb35719984 [0,0,0,0,0,0|2,0,1]=3 152 B10R1.66 O=C(O)CCc1cocn1 Amb17399866 [0,0,0,0,0,0|1,0,0]=1 153 B10R1.66 O=C(O)CCc1cscn1 Amb33528760 [0,0,0,0,0,0|1,0,0]=1 154 B10R1.66 O=C(O)CCc1csnn1 Amb27640978 [0,0,0,0,0,0|2,0,0]=2 155 B10R1.66 O=C(O)CCc1ncco1 Amb17399867 [0,0,0,0,0,0|2,0,0]=2 156 B10R1.66 O=C(O)CCc1nccs1 Amb33528763 [0,0,0,0,0,0|2,0,0]=2 157 B10R1.66 O=C(O)CCc1ncns1 Amb18830503 [0,0,0,0,0,0|1,0,1]=2 158 B10R1.66 O=C(O)CCc1ncon1 Amb23592186 [0,0,0,0,0,0|2,0,0]=2 159 B10R1.66 O=C(O)CCc1ncsn1 Amb18830498 [0,0,0,0,0,0|2,0,0]=2 160 B10R1.66 O=C(O)CCc1nnco1 Amb17138394 [0,0,0,0,0,0|2,0,1]=3 161 B10R1.66 O=C(O)CCn1cc[nH+]c1 Amb4252703 [0,0,0,0,0,0|2,0,1]=3 162 B10R1.66 O=C(O)CCn1cccc1 Amb1130611 [0,0,0,0,0,0|3,0,0]=3 163 B10R1.66 O=C(O)CCn1cccn1 Amb1159216 [0,0,0,0,0,0|2,0,0]=2 164 B10R1.66 O=C(O)CCn1cccn1 Amb22586761 [0,0,0,0,0,0|2,0,0]=2 165 B10R1.66 O=C(O)CCn1ccnc1 Amb1159316 [0,0,0,0,0,0|2,0,1]=3 166 B10R1.66 O=C(O)CCn1ccnc1 Amb3318874 [0,0,0,0,0,0|2,0,1]=3 167 B10R1.66 O=C(O)CCn1ccnn1 Amb32758747 [0,0,0,0,0,0|3,0,0]=3 168 B10R1.66 O=C(O)CCn1ccnn1 Amb6892171 [0,0,0,0,0,0|3,0,0]=3 169 B10R1.66 O=C(O)CCn1cncn1 Amb1041440 [0,0,0,0,0,0|1,0,1]=2 170 B10R1.66 O=C(O)CCn1cnnc1 Amb17621994 [0,0,0,0,0,0|3,0,1]=4 171 B10R1.66 O=C(O)CCn1cnnc1 Amb22587401 [0,0,0,0,0,0|3,0,1]=4 172 B10R1.66 O=C(O)CCn1cnnn1 Amb1063474 [0,0,0,0,0,0|2,0,1]=3 173 B10R1.66 O=C(O)CCn1nccn1 Amb24566685 [0,0,0,0,0,0|3,0,0]=3 174 B10R1.66 O=C(O)CCn1ncnn1 Amb6316136 [0,0,0,0,0,0|2,0,1]=3 175 B10R1.66 O=C(O)CNC1=CCCC1 Amb27768747 [0,0,0,0,0,0|3,0,1]=4 176 B10R1.66 O=C(O)CNC1=NCCC1 Amb10976570 [0,0,0,0,0,0|2,0,2]=4 177 B10R1.66 O=C(O)CNC1=NCCN1 Amb2693076 [0,0,0,0,0,0|3,0,1]=4 178 B10R1.66 O=C(O)CNc1ccco1 Amb27846560 [0,0,0,0,0,0|3,0,0]=3 179 B10R1.66 O=C(O)CNc1cccs1 Amb26516474 [0,0,0,0,0,0|3,0,0]=3 180 B10R1.66 O=C(O)CNc1ccsc1 Amb25322129 [0,0,0,0,0,0|3,0,0]=3 181 B10R1.66 O=C(O)CNc1nccs1 Amb10610433 [0,0,0,0,0,0|3,0,0]=3 182 B10R1.66 O=C(O)CNc1nccs1 Amb6259550 [0,0,0,0,0,0|3,0,0]=3 183 B10R1.66 O=C(O)CNc1nncs1 Amb25737188 [0,0,0,0,0,0|3,0,1]=4 184 B10R1.66 O=C(O)COc1ccco1 Amb28050105 [0,0,0,0,0,0|3,0,0]=3 185 B10R1.66 O=C(O)COc1cccs1 Amb27233232 [0,0,0,0,0,0|3,0,0]=3 186 B10R1.66 O=C(O)COc1ccoc1 Amb33360335 [0,0,0,0,0,0|3,0,0]=3 187 B10R1.66 O=C(O)COc1ccon1 Amb25850344 [0,0,0,0,0,0|3,0,0]=3 188 B10R1.66 O=C(O)COc1ccsc1 Amb18126122 [0,0,0,0,0,0|3,0,0]=3 189 B10R1.66 O=C(O)COc1ccsn1 Amb32679440 [0,0,0,0,0,0|3,0,0]=3 190 B10R1.66 O=C(O)COc1cnco1 Amb33319560 [0,0,0,0,0,0|2,0,1]=3 191 B10R1.66 O=C(O)COc1cncs1 Amb33268052 [0,0,0,0,0,0|2,0,1]=3 192 B10R1.66 O=C(O)COc1cnon1 Amb18831519 [0,0,0,0,0,0|2,0,1]=3 193 B10R1.66 O=C(O)COc1cscn1 Amb33417306 [0,0,0,0,0,0|2,0,0]=2 194 B10R1.66 O=C(O)COc1csnn1 Amb33321062 [0,0,0,0,0,0|3,0,0]=3 195 B10R1.66 O=C(O)COc1nccs1 Amb27494184 [0,0,0,0,0,0|3,0,0]=3 196 B10R1.66 O=C(O)COc1nnco1 Amb8010850 [0,0,0,0,0,0|3,0,1]=4 197 B10R1.66 O=C(O)COn1cccn1 Amb27253689 [0,0,0,0,0,0|3,0,0]=3 198 B10R1.66 O=C(O)CSC1=NCCN1 Amb2721860 [0,0,0,0,0,0|3,0,1]=4 199 B10R1.66 O=C(O)CSC1=NCCS1 Amb836976 [0,0,0,0,0,0|3,0,1]=4 200 B10R1.66 O=C(O)CSc1ccco1 Amb27975289 [0,0,0,0,0,0|3,0,0]=3 201 B10R1.66 O=C(O)CSc1cccs1 Amb2796029 [0,0,0,0,0,0|3,0,0]=3 202 B10R1.66 O=C(O)CSc1ccsc1 Amb2611518 [0,0,0,0,0,0|3,0,0]=3 203 B10R1.66 O=C(O)CSc1cnns1 Amb35714022 [0,0,0,0,0,0|3,0,1]=4 204 B10R1.66 O=C(O)CSc1cnsn1 Amb27858863 [0,0,0,0,0,0|2,0,1]=3 205 B10R1.66 O=C(O)CSc1nccs1 Amb4157323 [0,0,0,0,0,0|3,0,0]=3 206 B10R1.66 O=C(O)CSc1nnco1 Amb8471794 [0,0,0,0,0,0|3,0,1]=4 207 B10R1.66 O=C(O)CSc1nncs1 Amb33543061 [0,0,0,0,0,0|3,0,1]=4 208 B10R1.66 O=C(O)\C=C/c1ccco1 Amb26458726 [0,0,0,0,0,0|2,0,2]=4 209 B10R1.66 O=C(O)\C=C/c1cccs1 Amb27658635 [0,0,0,0,0,0|2,0,2]=4 210 B10R1.66 O=C(O)\C=C/c1ccsc1 Amb10071559 [0,0,0,0,0,0|2,0,2]=4 211 B10R1.66 O=C(O)\C=C\c1ccco1 Amb6335256 [0,0,0,0,0,0|2,0,2]=4 212 B10R1.66 O=C(O)\C=C\c1cccs1 Amb24076486 [0,0,0,0,0,0|2,0,2]=4 213 B10R1.66 O=C(O)\C=C\c1cccs1 Amb33716246 [0,0,0,0,0,0|2,0,2]=4 214 B10R1.66 O=C(O)\C=C\c1ccoc1 Amb33946022 [0,0,0,0,0,0|2,0,2]=4 215 B10R1.66 O=C(O)\C=C\c1ccon1 Amb33198351 [0,0,0,0,0,0|2,0,2]=4 216 B10R1.66 O=C(O)\C=C\c1ccsc1 Amb1154295 [0,0,0,0,0,0|2,0,2]=4 217 B10R1.66 O=C(O)\C=C\c1ccsn1 Amb24624065 [0,0,0,0,0,0|2,0,2]=4 218 B10R1.66 O=C(O)\C=C\c1cnco1 Amb32954265 [0,0,0,0,0,0|1,0,3]=4 219 B10R1.66 O=C(O)\C=C\c1cncs1 Amb33473685 [0,0,0,0,0,0|1,0,3]=4 220 B10R1.66 O=C(O)\C=C\c1cnsn1 Amb18644786 [0,0,0,0,0,0|1,0,3]=4 221 B10R1.66 O=C(O)\C=C\c1cocn1 Amb24638306 [0,0,0,0,0,0|1,0,2]=3 222 B10R1.66 O=C(O)\C=C\c1cscn1 Amb8836304 [0,0,0,0,0,0|1,0,2]=3 223 B10R1.66 O=C(O)\C=C\c1csnn1 Amb33079448 [0,0,0,0,0,0|2,0,2]=4 224 B10R1.66 O=C(O)\C=C\c1ncco1 Amb26921286 [0,0,0,0,0,0|2,0,2]=4 225 B10R1.66 O=C(O)\C=C\c1nccs1 Amb8836307 [0,0,0,0,0,0|2,0,2]=4 226 B10R1.66 O=C([O-])CCc1cccs1 Amb33512993 [0,0,0,0,0,0|2,0,1]=3 227 B10R1.66 O=C([O-])CCn1ccnn1 Amb10609120 [0,0,0,0,0,0|3,0,1]=4 228 B10R1.66 O=C([O-])COc1ccon1 Amb32652573 [0,0,0,0,0,0|3,0,1]=4 229 B10R1.66 O=N(=O)CCc1ccco1 Amb5498739 [0,0,0,0,0,0|3,0,1]=4 230 B10R1.66 O=S([O-])CCc1cccs1 Amb32755133 [0,0,0,0,0,0|3,0,1]=4 231 B10R1.66 O=S([O-])CCn1cccn1 Amb32754450 [0,0,0,0,0,0|3,0,1]=4 232 B10R1.66 O=[N+]([O-])CCc1ccco1 Amb534787 [0,0,0,0,0,0|3,0,1]=4 233 B10R1.66 O=[N+]([O-])CCc1cccs1 Amb17400023 [0,0,0,0,0,0|3,0,1]=4 234 B10R1.66 O=[N+]([O-])CCc1ccon1 Amb33197555 [0,0,0,0,0,0|3,0,1]=4 235 B10R1.66 O=[N+]([O-])CCc1ccsc1 Amb25888106 [0,0,0,0,0,0|3,0,1]=4 236 B10R1.66 O=[N+]([O-])CCc1cnco1 Amb33414796 [0,0,0,0,0,0|2,0,2]=4 237 B10R1.66 O=[N+]([O-])CCc1cncs1 Amb33456690 [0,0,0,0,0,0|2,0,2]=4 238 B10R1.66 O=[N+]([O-])CCc1cscn1 Amb26573131 [0,0,0,0,0,0|2,0,1]=3 239 B10R1.66 O=[N+]([O-])CCc1csnn1 Amb33321616 [0,0,0,0,0,0|3,0,1]=4 240 B10R1.66 O=[N+]([O-])CCc1nccs1 Amb33456704 [0,0,0,0,0,0|3,0,1]=4 241 B10R1.66 OB(O)CCn1cccn1 Amb27478573 [0,0,0,0,0,0|3,0,1]=4 242 B9R1.12 BrCCCc1cscn1 Amb24376114 [1,0,0,0,0,0|2,0,1]=4 243 B9R1.12 C#CCCc1cscn1 Amb33417816 [1,0,0,0,0,0|2,0,1]=4 244 B9R1.12 C=CCCC1CNC=N1 Amb30021021 [1,0,0,0,0,0|1,0,2]=4 245 B9R1.12 C=CCCc1ccco1 Amb35680299 [1,0,0,0,0,0|3,0,0]=4 246 B9R1.12 C=CCCc1cccs1 Amb27476978 [1,0,0,0,0,0|3,0,0]=4 247 B9R1.12 C=CCCc1ccoc1 Amb35680294 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.12 C=CCCc1ccsc1 Amb28342746 [1,0,0,0,0,0|3,0,0]=4 249 B9R1.12 C=CCCc1ccsn1 Amb35715622 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.12 C=CCCc1csnn1 Amb27852032 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.12 C=CCCc1nccs1 Amb27834255 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.12 C=CCCn1cccn1 Amb24340287 [1,0,0,0,0,0|3,0,0]=4 253 B9R1.12 C=CCCn1cncn1 Amb24690323 [1,0,0,0,0,0|2,0,1]=4 254 B9R1.12 CNCCc1cscn1 Amb8009872 [1,0,0,0,0,0|3,0,0]=4 255 B9R1.12 COCCc1cscn1 Amb27809391 [1,0,0,0,0,0|3,0,0]=4 256 B9R1.12 ClCCCc1cscn1 Amb25260872 [1,0,0,0,0,0|2,0,1]=4 257 B9R1.12 N#CCCc1cscn1 Amb24481975 [1,0,0,0,0,0|2,0,1]=4 258 B9R1.12 NCCCc1cocn1 Amb18832743 [1,0,0,0,0,0|2,0,1]=4 259 B9R1.12 NCCCc1cscn1 Amb18523794 [1,0,0,0,0,0|2,0,1]=4 260 B9R1.12 NOCCc1cscn1 Amb33418191 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.12 O=C=NCc1cscn1 Amb27404841 [1,0,0,0,0,0|2,0,1]=4 262 B9R1.12 O=CCCc1ccco1 Amb17081672 [1,0,0,0,0,0|2,0,0]=3 263 B9R1.12 O=CCCc1cccs1 Amb17081673 [1,0,0,0,0,0|2,0,0]=3 264 B9R1.12 O=CCCc1ccns1 Amb27235027 [1,0,0,0,0,0|2,0,1]=4 265 B9R1.12 O=CCCc1ccoc1 Amb8394152 [1,0,0,0,0,0|2,0,0]=3 266 B9R1.12 O=CCCc1ccsc1 Amb26961096 [1,0,0,0,0,0|2,0,0]=3 267 B9R1.12 O=CCCc1cnco1 Amb26986955 [1,0,0,0,0,0|1,0,1]=3 268 B9R1.12 O=CCCc1cncs1 Amb25705083 [1,0,0,0,0,0|1,0,1]=3 269 B9R1.12 O=CCCc1cnoc1 Amb26535554 [1,0,0,0,0,0|2,0,1]=4 270 B9R1.12 O=CCCc1cnsc1 Amb35716921 [1,0,0,0,0,0|2,0,1]=4 271 B9R1.12 O=CCCc1csnn1 Amb27877044 [1,0,0,0,0,0|2,0,0]=3 272 B9R1.12 O=CCCc1nccs1 Amb8010561 [1,0,0,0,0,0|2,0,0]=3 273 B9R1.12 O=CCCn1cccn1 Amb4303948 [1,0,0,0,0,0|2,0,0]=3 274 B9R1.12 O=CCCn1ccnc1 Amb4303964 [1,0,0,0,0,0|2,0,1]=4 275 B9R1.12 O=CCCn1ccnn1 Amb27442084 [1,0,0,0,0,0|3,0,0]=4 276 B9R1.12 O=CCCn1cncn1 Amb27837420 [1,0,0,0,0,0|1,0,1]=3 277 B9R1.12 O=CCCn1nccn1 Amb27625246 [1,0,0,0,0,0|3,0,0]=4 278 B9R1.12 O=CCOc1ccsc1 Amb27191888 [1,0,0,0,0,0|3,0,0]=4 279 B9R1.12 O=CCSc1cccs1 Amb17082929 [1,0,0,0,0,0|3,0,0]=4 280 B9R1.12 O=CNCc1ccco1 Amb3319177 [1,0,0,0,0,0|3,0,0]=4 281 B9R1.12 O=CNCc1cccs1 Amb27774671 [1,0,0,0,0,0|3,0,0]=4 282 B9R1.12 O=CNCc1ccoc1 Amb28188531 [1,0,0,0,0,0|3,0,0]=4 283 B9R1.12 O=CNCc1ccon1 Amb27838478 [1,0,0,0,0,0|3,0,0]=4 284 B9R1.12 O=CNCc1cncs1 Amb27628845 [1,0,0,0,0,0|2,0,1]=4 285 B9R1.12 O=CNCc1csnn1 Amb27435717 [1,0,0,0,0,0|3,0,0]=4 286 B9R1.12 O=CNCc1nccs1 Amb25295210 [1,0,0,0,0,0|3,0,0]=4 287 B9R1.12 O=CNCc1ncon1 Amb27648619 [1,0,0,0,0,0|3,0,0]=4 288 B9R1.12 O=COCc1ccco1 Amb26359842 [1,0,0,0,0,0|3,0,0]=4 289 B9R1.12 O=C\C=C\c1cscn1 Amb25299918 [1,0,0,0,0,0|1,0,2]=4 290 B9R1.12 OCCCC1CNC=N1 Amb28133730 [1,0,0,0,0,0|0,0,3]=4 291 B9R1.12 OCCCc1ccco1 Amb8860560 [1,0,0,0,0,0|2,0,1]=4 292 B9R1.12 OCCCc1cccs1 Amb17089493 [1,0,0,0,0,0|2,0,1]=4 293 B9R1.12 OCCCc1ccoc1 Amb26505336 [1,0,0,0,0,0|2,0,1]=4 294 B9R1.12 OCCCc1ccon1 Amb28399013 [1,0,0,0,0,0|2,0,1]=4 295 B9R1.12 OCCCc1ccsc1 Amb17605794 [1,0,0,0,0,0|2,0,1]=4 296 B9R1.12 OCCCc1cnco1 Amb27833401 [1,0,0,0,0,0|1,0,2]=4 297 B9R1.12 OCCCc1cncs1 Amb26017292 [1,0,0,0,0,0|1,0,2]=4 298 B9R1.12 OCCCc1cnsn1 Amb27785943 [1,0,0,0,0,0|1,0,2]=4 299 B9R1.12 OCCCc1cocn1 Amb27762837 [1,0,0,0,0,0|1,0,1]=3 300 B9R1.12 OCCCc1cscn1 Amb24099813 [1,0,0,0,0,0|1,0,1]=3 301 B9R1.12 OCCCc1csnn1 Amb24700420 [1,0,0,0,0,0|2,0,1]=4 302 B9R1.12 OCCCc1nccs1 Amb25887194 [1,0,0,0,0,0|2,0,1]=4 303 B9R1.12 OCCCn1cccn1 Amb33531607 [1,0,0,0,0,0|2,0,1]=4 304 B9R1.12 OCCCn1cncn1 Amb33531610 [1,0,0,0,0,0|1,0,2]=4 305 B9R1.12 SCCCc1cscn1 Amb33417299 [1,0,0,0,0,0|1,1,1]=4 306 B9R1.12 [C-]#[N+]CCc1cscn1 Amb33418200 [1,0,0,0,0,0|3,0,0]=4 307 B11R1.25 C#CC(=O)CCc1ccsc1 Amb27461534 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.25 C=CC(=O)CCc1ccco1 Amb27988543 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.25 C=CC(=O)CCc1ccsc1 Amb25382324 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.25 C=CC(=O)CCc1cnco1 Amb27673593 [0,1,0,0,0,0|2,0,1]=4 311 B11R1.25 C=CC(=O)CCn1cccn1 Amb26082629 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.25 C=CC(=O)CCn1cncn1 Amb26082582 [0,1,0,0,0,0|2,0,1]=4 313 B11R1.25 C=CC(=O)NCc1cscn1 Amb25172758 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.25 CCC(=O)CCc1ccco1 Amb18177203 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.25 CCC(=O)CCc1ccsn1 Amb27271377 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.25 CCC(=O)CCc1cscn1 Amb27670938 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.25 CCC(=O)CCc1nccs1 Amb27671136 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.25 CCC(=O)CCn1cncn1 Amb27673768 [0,1,0,0,0,0|2,0,1]=4 319 B11R1.25 CCC(O)CCc1cscn1 Amb28080696 [0,1,0,0,0,0|2,0,1]=4 320 B11R1.25 CNC(=O)CCc1ccco1 Amb8328018 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.25 CNC(=O)CCc1cccs1 Amb27464851 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.25 CNC(=O)CCc1ccsc1 Amb8331157 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.25 CNC(=O)CCc1cscn1 Amb27458378 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.25 CNC(=O)CCn1cccn1 Amb27254089 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.25 CNC(=O)NCc1cocn1 Amb28281367 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.25 COC(=N)CCc1ccco1 Amb18065394 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.25 COC(=N)CCc1cccs1 Amb18563908 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.25 COC(=O)C#Cc1cocn1 Amb33168853 [0,1,0,0,0,0|1,0,2]=4 329 B11R1.25 COC(=O)C#Cc1cscn1 Amb25678897 [0,1,0,0,0,0|1,0,2]=4 330 B11R1.25 COC(=O)CCC1=NCCN1 Amb27989300 [0,1,0,0,0,0|2,0,1]=4 331 B11R1.25 COC(=O)CCc1ccno1 Amb24762935 [0,1,0,0,0,0|2,0,1]=4 332 B11R1.25 COC(=O)CCc1ccoc1 Amb27272302 [0,1,0,0,0,0|2,0,0]=3 333 B11R1.25 COC(=O)CCc1ccsc1 Amb27491907 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.25 COC(=O)CCc1cncs1 Amb28387274 [0,1,0,0,0,0|1,0,1]=3 335 B11R1.25 COC(=O)CCc1cnoc1 Amb25382987 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.25 COC(=O)CCc1nccs1 Amb17334847 [0,1,0,0,0,0|2,0,0]=3 337 B11R1.25 COC(=O)CCn1cccc1 Amb18799453 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.25 COC(=O)CCn1cccn1 Amb535322 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.25 COC(=O)CCn1ccnc1 Amb2794109 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.25 COC(=O)CCn1cncn1 Amb15740833 [0,1,0,0,0,0|1,0,1]=3 341 B11R1.25 COC(=O)CCn1cncn1 Amb33529297 [0,1,0,0,0,0|1,0,1]=3 342 B11R1.25 COC(=O)CNc1nccs1 Amb6650754 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.25 COC(=O)CNc1ncns1 Amb28321048 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.25 COC(=O)COc1ccsc1 Amb27988863 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.25 COC(=O)COc1ccsn1 Amb32694411 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.25 COC(=O)NCc1ccco1 Amb3363702 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.25 COC(=O)NCc1ccoc1 Amb27485865 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.25 COC(=O)\C=C\c1cocn1 Amb25208802 [0,1,0,0,0,0|1,0,2]=4 349 B11R1.25 COC(=O)\C=C\c1cscn1 Amb24409150 [0,1,0,0,0,0|1,0,2]=4 350 B11R1.25 COC(=S)SCc1cscn1 Amb27987395 [0,1,0,0,0,0|2,1,0]=4 351 B11R1.25 C\C(CCc1ccco1)=N/O Amb19888637 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.25 NCC(=O)CCc1cccs1 Amb18563911 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.25 NCC(=O)CCc1ccsc1 Amb26651231 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.25 NCC(=O)CCn1cccn1 Amb33224536 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.25 NCC(=O)CCn1cncn1 Amb32726025 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.25 NCC(=O)NCc1cscn1 Amb28061106 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.25 NNC(=O)CCc1ccco1 Amb6744507 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.25 NNC(=O)CCn1cccn1 Amb10608469 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.25 NNC(=O)CCn1cncn1 Amb2572787 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.25 N\C(CCn1cccn1)=N/O Amb9724104 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.25 N\C(CCn1cccn1)=N\O Amb6889924 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.25 N\C(CCn1cncn1)=N/O Amb6273144 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.25 O=C(CCl)CCc1ccco1 Amb27672907 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.25 O=C(CCl)CCc1cccs1 Amb17139224 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.25 O=C(CCl)CCn1cccn1 Amb33223978 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.25 O=C(CCl)CCn1cncn1 Amb33223986 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.25 O=C(CCl)NCc1cocn1 Amb27973670 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.25 O=C(CCn1ccnc1)NO Amb28370554 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.25 O=C(CO)CCc1ccco1 Amb18065408 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.25 O=C(CO)CCc1cccs1 Amb18563930 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.25 O=C(CO)NCc1ccco1 Amb5798115 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.25 O=C(CO)NCc1cccs1 Amb1110201 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.25 O=C(CO)NCc1ccon1 Amb27479257 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.25 O=C(CO)OCc1ccco1 Amb27988703 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.25 O=C(CO)OCc1cccs1 Amb27988704 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.25 O=C(CO)OCc1ccoc1 Amb27988705 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.25 O=C(CO)OCc1ccsc1 Amb27988706 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.25 O=C(CO)OCc1cncs1 Amb27988707 [0,1,0,0,0,0|2,0,1]=4 379 B11R1.25 O=C(CO)OCc1cscn1 Amb27988709 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.25 O=C(CO)OCc1csnn1 Amb27988710 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.25 O=C(CO)OCc1nccs1 Amb27988711 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.25 O=C(CSc1cccs1)NO Amb28249448 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.25 OC[C@@H](O)CCc1cscn1 Amb28080075 [0,1,0,0,0,0|1,0,2]=4 384 B11R1.35 C=C(Cc1ccco1)C(=O)O Amb27985009 [0,1,0,0,0,0|2,0,1]=4 385 B11R1.35 C=C(Cn1cccn1)C(=O)O Amb33545317 [0,1,0,0,0,0|2,0,1]=4 386 B11R1.35 C=C(Cn1cncn1)C(=O)O Amb27455770 [0,1,0,0,0,0|1,0,2]=4 387 B11R1.35 CC(=O)C(C)Cc1ccco1 Amb17939894 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.35 CC(=O)C(C)Cc1cnsn1 Amb28060237 [0,1,0,0,0,0|2,0,1]=4 389 B11R1.35 CC(=O)C(C)Cc1cscn1 Amb27663866 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.35 CC(=O)C(N)Cc1cncs1 Amb18198886 [0,1,0,0,0,0|2,0,1]=4 391 B11R1.35 CC(=O)N(C)Cc1cscn1 Amb27255526 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.35 CC(CC1=CCCC1)C(=O)O Amb10844012 [0,1,0,0,0,0|2,0,1]=4 393 B11R1.35 CC(Cc1ccco1)C(=O)O Amb33540750 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.35 CC(Cc1cccs1)C(=O)Cl Amb5744094 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.35 CC(Cc1cccs1)C(=O)O Amb5400513 [0,1,0,0,0,0|2,0,0]=3 396 B11R1.35 CC(Cc1cccs1)C(N)=O Amb27760469 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.35 CC(Cc1ccns1)C(=O)O Amb27407099 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.35 CC(Cc1ccoc1)C(=O)O Amb26970772 [0,1,0,0,0,0|2,0,0]=3 399 B11R1.35 CC(Cc1ccon1)C(=O)O Amb33042782 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.35 CC(Cc1ccsc1)C(=O)O Amb17605844 [0,1,0,0,0,0|2,0,0]=3 401 B11R1.35 CC(Cc1ccsn1)C(=O)O Amb28385563 [0,1,0,0,0,0|2,0,0]=3 402 B11R1.35 CC(Cc1ccsn1)C(N)=O Amb27472028 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.35 CC(Cc1cnco1)C(=O)O Amb33415283 [0,1,0,0,0,0|1,0,1]=3 404 B11R1.35 CC(Cc1cncs1)C(=O)O Amb26452858 [0,1,0,0,0,0|1,0,1]=3 405 B11R1.35 CC(Cc1cnsc1)C(=O)O Amb35720171 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.35 CC(Cc1cscn1)C(=O)O Amb18292876 [0,1,0,0,0,0|1,0,0]=2 407 B11R1.35 CC(Cc1csnn1)C(=O)O Amb24523177 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.35 CC(Cc1nccs1)C(=O)O Amb17334845 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.35 CC(Cn1cccn1)C(=O)O Amb2569108 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.35 CC(Cn1ccnc1)C(=O)O Amb2797762 [0,1,0,0,0,0|2,0,1]=4 411 B11R1.35 CC(Cn1ccnc1)C(=O)O Amb33012366 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.35 CC(Cn1cncn1)C(=O)O Amb1094136 [0,1,0,0,0,0|1,0,1]=3 413 B11R1.35 CC(Cn1cnnn1)C(=O)O Amb28396898 [0,1,0,0,0,0|2,0,1]=4 414 B11R1.35 CC(Nc1cccs1)C(=O)O Amb27646118 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.35 CC(O)C(C)Cc1cscn1 Amb25213525 [0,1,0,0,0,0|2,0,1]=4 416 B11R1.35 CC(Sc1cccs1)C(=O)O Amb2611557 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.35 CN(Cc1cscn1)C(=O)Cl Amb27593759 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.35 C[C@H](Cc1cccs1)C(=O)O Amb10844000 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.35 C[C@H](Nc1cccs1)C(=O)O Amb10603707 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.35 C[C@H](Nc1ccsc1)C(=O)O Amb17912732 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.35 C[C@H](Nc1nccs1)C(=O)O Amb25292918 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.35 C[C@H](Nn1cncn1)C(=O)O Amb27867192 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.35 C\C(=C/c1cscn1)C(=O)O Amb27453159 [0,1,0,0,0,0|1,0,2]=4 424 B11R1.35 NC(=O)C(N)Cc1ccco1 Amb33066014 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.35 NC(=O)C(N)Cc1cccs1 Amb24487730 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.35 NC(=O)C(N)Cc1ccoc1 Amb33308808 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.35 NC(=O)C(N)Cc1ccsc1 Amb25092321 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.35 NC(=O)C(N)Cc1cncs1 Amb24413255 [0,1,0,0,0,0|2,0,1]=4 429 B11R1.35 NC(=O)C(N)Cc1cnsn1 Amb24568650 [0,1,0,0,0,0|2,0,1]=4 430 B11R1.35 NC(=O)C(N)Cc1cscn1 Amb33066289 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.35 NC(=O)C(N)Cc1csnn1 Amb24431085 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.35 NC(=O)C(N)Cc1nccs1 Amb24533629 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.35 NC(=O)C(N)Cn1cccn1 Amb18984349 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.35 NC(=O)C(N)Cn1cncn1 Amb18294107 [0,1,0,0,0,0|2,0,1]=4 435 B11R1.35 NC(CC1=CCCC1)C(=O)O Amb2699167 [0,1,0,0,0,0|2,0,1]=4 436 B11R1.35 NC(CC1=CCCO1)C(=O)O Amb27843735 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.35 NC(Cc1ccco1)C(=O)O Amb9724188 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.35 NC(Cc1cccs1)C(=O)O Amb9720695 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.35 NC(Cc1ccno1)C(=O)O Amb25891427 [0,1,0,0,0,0|2,0,1]=4 440 B11R1.35 NC(Cc1ccno1)C(=O)O Amb28652917 [0,1,0,0,0,0|2,0,1]=4 441 B11R1.35 NC(Cc1ccns1)C(=O)O Amb18198297 [0,1,0,0,0,0|2,0,1]=4 442 B11R1.35 NC(Cc1ccoc1)C(=O)O Amb21858415 [0,1,0,0,0,0|2,0,0]=3 443 B11R1.35 NC(Cc1ccsc1)C(=O)O Amb2611710 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.35 NC(Cc1ccsc1)C(=O)O Amb33527048 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.35 NC(Cc1ccsn1)C(=O)O Amb18198296 [0,1,0,0,0,0|2,0,0]=3 446 B11R1.35 NC(Cc1cnco1)C(=O)O Amb33295162 [0,1,0,0,0,0|1,0,1]=3 447 B11R1.35 NC(Cc1cncs1)C(=O)O Amb18301833 [0,1,0,0,0,0|1,0,1]=3 448 B11R1.35 NC(Cc1cncs1)C(=O)O Amb30584636 [0,1,0,0,0,0|1,0,1]=3 449 B11R1.35 NC(Cc1cncs1)C(=O)O Amb30869600 [0,1,0,0,0,0|1,0,1]=3 450 B11R1.35 NC(Cc1cnns1)C(=O)O Amb33036593 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.35 NC(Cc1cnoc1)C(=O)O Amb18830802 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.35 NC(Cc1cnon1)C(=O)O Amb18200030 [0,1,0,0,0,0|1,0,1]=3 453 B11R1.35 NC(Cc1cnsn1)C(=O)O Amb24471428 [0,1,0,0,0,0|1,0,1]=3 454 B11R1.35 NC(Cc1cnsn1)C(=O)O Amb33620573 [0,1,0,0,0,0|1,0,1]=3 455 B11R1.35 NC(Cc1cocn1)C(=O)O Amb24409031 [0,1,0,0,0,0|1,0,0]=2 456 B11R1.35 NC(Cc1cocn1)C(=O)O Amb33620562 [0,1,0,0,0,0|1,0,0]=2 457 B11R1.35 NC(Cc1cscn1)C(=O)O Amb33620569 [0,1,0,0,0,0|1,0,0]=2 458 B11R1.35 NC(Cc1cscn1)C(=O)O Amb8631053 [0,1,0,0,0,0|1,0,0]=2 459 B11R1.35 NC(Cc1csnn1)C(=O)O Amb24674512 [0,1,0,0,0,0|2,0,0]=3 460 B11R1.35 NC(Cc1ncco1)C(=O)O Amb18200255 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.35 NC(Cc1nccs1)C(=O)O Amb16227038 [0,1,0,0,0,0|2,0,0]=3 462 B11R1.35 NC(Cc1ncns1)C(=O)O Amb18198056 [0,1,0,0,0,0|1,0,1]=3 463 B11R1.35 NC(Cc1ncns1)C(=O)O Amb35789445 [0,1,0,0,0,0|1,0,1]=3 464 B11R1.35 NC(Cn1cccc1)C(=O)O Amb18200839 [0,1,0,0,0,0|3,0,0]=4 465 B11R1.35 NC(Cn1cccn1)C(=O)O Amb18982290 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.35 NC(Cn1cccn1)C(=O)O Amb6893873 [0,1,0,0,0,0|2,0,0]=3 467 B11R1.35 NC(Cn1ccnc1)C(=O)O Amb18294042 [0,1,0,0,0,0|2,0,1]=4 468 B11R1.35 NC(Cn1ccnc1)C(=O)O Amb32664802 [0,1,0,0,0,0|2,0,1]=4 469 B11R1.35 NC(Cn1cncn1)C(=O)O Amb18982288 [0,1,0,0,0,0|1,0,1]=3 470 B11R1.35 NC(Cn1cncn1)C(=O)O Amb32675131 [0,1,0,0,0,0|1,0,1]=3 471 B11R1.35 NC(Cn1cncn1)C(=O)O Amb6893871 [0,1,0,0,0,0|1,0,1]=3 472 B11R1.35 N[C@@H](CC1=CCCC1)C(=O)O Amb27856498 [0,1,0,0,0,0|2,0,1]=4 473 B11R1.35 N[C@@H](CC1=NC=CC1)C(=O)O Amb27947963 [0,1,0,0,0,0|1,0,1]=3 474 B11R1.35 N[C@@H](CC1=NCN=C1)C(=O)O Amb27955778 [0,1,0,0,0,0|0,0,2]=3 475 B11R1.35 N[C@@H](Cc1ccco1)C(=O)O Amb10068214 [0,1,0,0,0,0|2,0,0]=3 476 B11R1.35 N[C@@H](Cc1ccco1)C(=O)O Amb31291682 [0,1,0,0,0,0|2,0,0]=3 477 B11R1.35 N[C@@H](Cc1cccs1)C(=O)O Amb10068210 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.35 N[C@@H](Cc1cccs1)C(=O)O Amb22747410 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.35 N[C@@H](Cc1ccno1)C(=O)O Amb25891409 [0,1,0,0,0,0|2,0,1]=4 480 B11R1.35 N[C@@H](Cc1ccns1)C(=O)O Amb29852557 [0,1,0,0,0,0|2,0,1]=4 481 B11R1.35 N[C@@H](Cc1ccoc1)C(=O)O Amb22228970 [0,1,0,0,0,0|2,0,0]=3 482 B11R1.35 N[C@@H](Cc1ccon1)C(=O)O Amb26486882 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.35 N[C@@H](Cc1ccsc1)C(=O)O Amb10068212 [0,1,0,0,0,0|2,0,0]=3 484 B11R1.35 N[C@@H](Cc1cncs1)C(=O)O Amb22745840 [0,1,0,0,0,0|1,0,1]=3 485 B11R1.35 N[C@@H](Cc1cnns1)C(=O)O Amb33066323 [0,1,0,0,0,0|2,0,1]=4 486 B11R1.35 N[C@@H](Cc1cnsn1)C(=O)O Amb28043541 [0,1,0,0,0,0|1,0,1]=3 487 B11R1.35 N[C@@H](Cc1cnsn1)C(=O)O Amb33620574 [0,1,0,0,0,0|1,0,1]=3 488 B11R1.35 N[C@@H](Cc1cocn1)C(=O)O Amb27839934 [0,1,0,0,0,0|1,0,0]=2 489 B11R1.35 N[C@@H](Cc1cscn1)C(=O)O Amb10069175 [0,1,0,0,0,0|1,0,0]=2 490 B11R1.35 N[C@@H](Cc1csnn1)C(=O)O Amb27768430 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.35 N[C@@H](Cc1nccs1)C(=O)O Amb19149166 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.35 N[C@@H](Cn1cccn1)C(=O)O Amb8631343 [0,1,0,0,0,0|2,0,0]=3 493 B11R1.35 N[C@@H](Cn1cccn1)C(=O)O Amb8631344 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.35 N[C@@H](Cn1cncn1)C(=O)O Amb17620828 [0,1,0,0,0,0|1,0,1]=3 495 B11R1.35 N[C@@H](Cn1cncn1)C(=O)O Amb33309636 [0,1,0,0,0,0|1,0,1]=3 496 B11R1.35 N[C@@H](Cn1ncnn1)C(=O)O Amb22351166 [0,1,0,0,0,0|2,0,1]=4 497 B11R1.35 N[C@H](CC1=CCCC1)C(=O)O Amb26402835 [0,1,0,0,0,0|2,0,1]=4 498 B11R1.35 N[C@H](Cc1ccco1)C(=O)O Amb10068215 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.35 N[C@H](Cc1cccs1)C(=O)O Amb10068211 [0,1,0,0,0,0|2,0,0]=3 500 B11R1.35 N[C@H](Cc1ccns1)C(=O)O Amb29852422 [0,1,0,0,0,0|2,0,1]=4 501 B11R1.35 N[C@H](Cc1ccoc1)C(=O)O Amb22228969 [0,1,0,0,0,0|2,0,0]=3 502 B11R1.35 N[C@H](Cc1ccsc1)C(=O)O Amb10068213 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.35 N[C@H](Cc1ccsc1)C(=O)O Amb33725979 [0,1,0,0,0,0|2,0,0]=3 504 B11R1.35 N[C@H](Cc1cncs1)C(=O)O Amb26604609 [0,1,0,0,0,0|1,0,1]=3 505 B11R1.35 N[C@H](Cc1cnns1)C(=O)O Amb33065876 [0,1,0,0,0,0|2,0,1]=4 506 B11R1.35 N[C@H](Cc1cnsn1)C(=O)O Amb25260240 [0,1,0,0,0,0|1,0,1]=3 507 B11R1.35 N[C@H](Cc1cnsn1)C(=O)O Amb33620572 [0,1,0,0,0,0|1,0,1]=3 508 B11R1.35 N[C@H](Cc1cscn1)C(=O)O Amb10069174 [0,1,0,0,0,0|1,0,0]=2 509 B11R1.35 N[C@H](Cc1csnn1)C(=O)O Amb27174873 [0,1,0,0,0,0|2,0,0]=3 510 B11R1.35 N[C@H](Cn1cccn1)C(=O)O Amb27644346 [0,1,0,0,0,0|2,0,0]=3 511 B11R1.35 N[C@H](Cn1ccnc1)C(=O)O Amb25887093 [0,1,0,0,0,0|2,0,1]=4 512 B11R1.35 N[C@H](Cn1cncn1)C(=O)O Amb25843184 [0,1,0,0,0,0|1,0,1]=3 513 B11R1.35 N[C@H](Cn1cncn1)C(=O)O Amb33309641 [0,1,0,0,0,0|1,0,1]=3 514 B11R1.35 O=C(O)C(=O)Cc1ccco1 Amb1137668 [0,1,0,0,0,0|2,0,1]=4 515 B11R1.35 O=C(O)C(=O)Cc1cccs1 Amb1135982 [0,1,0,0,0,0|2,0,1]=4 516 B11R1.35 O=C(O)C(=O)Cc1ccoc1 Amb26072039 [0,1,0,0,0,0|2,0,1]=4 517 B11R1.35 O=C(O)C(=O)Cc1ccon1 Amb33226166 [0,1,0,0,0,0|2,0,1]=4 518 B11R1.35 O=C(O)C(=O)Cc1ccsc1 Amb1133942 [0,1,0,0,0,0|2,0,1]=4 519 B11R1.35 O=C(O)C(=O)Cc1cnco1 Amb33415275 [0,1,0,0,0,0|1,0,2]=4 520 B11R1.35 O=C(O)C(=O)Cc1cncs1 Amb27945694 [0,1,0,0,0,0|1,0,2]=4 521 B11R1.35 O=C(O)C(=O)Cc1cscn1 Amb25879054 [0,1,0,0,0,0|1,0,1]=3 522 B11R1.35 O=C(O)C(=O)Cc1csnn1 Amb27485640 [0,1,0,0,0,0|2,0,1]=4 523 B11R1.35 O=C(O)C(=O)Cc1nccs1 Amb27401968 [0,1,0,0,0,0|2,0,1]=4 524 B11R1.35 O=C(O)C(=S)Cc1ccco1 Amb4026925 [0,1,0,0,0,0|2,0,1]=4 525 B11R1.35 O=C(O)C(=S)Cc1ccsc1 Amb27407692 [0,1,0,0,0,0|2,0,1]=4 526 B11R1.35 O=C(O)C(Br)Cn1cncn1 Amb32692990 [0,1,0,0,0,0|1,0,1]=3 527 B11R1.35 O=C(O)C(Cl)Cn1cccn1 Amb28045938 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.35 O=C(O)C(Cl)Cn1ccnn1 Amb35589174 [0,1,0,0,0,0|3,0,0]=4 529 B11R1.35 O=C(O)C(Cl)Cn1cncn1 Amb26421894 [0,1,0,0,0,0|1,0,1]=3 530 B11R1.35 O=C(O)C(F)Cc1ccns1 Amb35704281 [0,1,0,0,0,0|2,0,1]=4 531 B11R1.35 O=C(O)C(F)Cc1ccoc1 Amb27478909 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.35 O=C(O)C(F)Cc1cncs1 Amb27627166 [0,1,0,0,0,0|1,0,1]=3 533 B11R1.35 O=C(O)C(F)Cc1csnn1 Amb27235087 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.35 O=C(O)C(F)Cn1cccc1 Amb27211041 [0,1,0,0,0,0|3,0,0]=4 535 B11R1.35 O=C(O)C(F)Cn1cccn1 Amb27792436 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.35 O=C(O)C(F)Cn1ccnc1 Amb28385128 [0,1,0,0,0,0|2,0,1]=4 537 B11R1.35 O=C(O)C(F)Cn1cnnn1 Amb27876901 [0,1,0,0,0,0|2,0,1]=4 538 B11R1.35 O=C(O)C(O)Cc1ccco1 Amb17138461 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.35 O=C(O)C(O)Cc1cccs1 Amb17138686 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.35 O=C(O)C(O)Cc1ccns1 Amb33353300 [0,1,0,0,0,0|2,0,1]=4 541 B11R1.35 O=C(O)C(O)Cc1ccoc1 Amb26952187 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.35 O=C(O)C(O)Cc1ccon1 Amb33226161 [0,1,0,0,0,0|2,0,0]=3 543 B11R1.35 O=C(O)C(O)Cc1ccsc1 Amb26887594 [0,1,0,0,0,0|2,0,0]=3 544 B11R1.35 O=C(O)C(O)Cc1cnco1 Amb33226476 [0,1,0,0,0,0|1,0,1]=3 545 B11R1.35 O=C(O)C(O)Cc1cncs1 Amb25986069 [0,1,0,0,0,0|1,0,1]=3 546 B11R1.35 O=C(O)C(O)Cc1cnsc1 Amb33353410 [0,1,0,0,0,0|2,0,1]=4 547 B11R1.35 O=C(O)C(O)Cc1cscn1 Amb33353293 [0,1,0,0,0,0|1,0,0]=2 548 B11R1.35 O=C(O)C(O)Cc1csnn1 Amb28124473 [0,1,0,0,0,0|2,0,0]=3 549 B11R1.35 O=C(O)C(O)Cc1ncco1 Amb28369831 [0,1,0,0,0,0|2,0,0]=3 550 B11R1.35 O=C(O)C(O)Cc1nccs1 Amb26861593 [0,1,0,0,0,0|2,0,0]=3 551 B11R1.35 O=C(O)C(O)Cn1cccn1 Amb27785438 [0,1,0,0,0,0|2,0,0]=3 552 B11R1.35 O=C(O)C(O)Cn1ccnc1 Amb25143971 [0,1,0,0,0,0|2,0,1]=4 553 B11R1.35 O=C(O)C(O)Cn1cncn1 Amb25078637 [0,1,0,0,0,0|1,0,1]=3 554 B11R1.35 O=C(O)C(O)Cn1cncn1 Amb30584812 [0,1,0,0,0,0|1,0,1]=3 555 B11R1.35 O=C(O)C(S)Cc1ccns1 Amb35720414 [0,1,0,0,0,0|2,0,1]=4 556 B11R1.35 O=C(O)C(S)Cc1nccs1 Amb28079481 [0,1,0,0,0,0|2,0,0]=3 557 B11R1.35 O=C(O)[C@H](O)Cc1cccs1 Amb25962724 [0,1,0,0,0,0|2,0,0]=3 558 B11R1.75 CC(=O)CCC1=CC(=O)NN1 Amb27225157 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.75 CC(=O)CCC1=CCC(=O)N1 Amb27849883 [0,1,0,0,0,0|2,0,1]=4 560 B11R1.75 CC(=O)CCc1cc(Br)co1 Amb33431947 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.75 CC(=O)CCc1cc(Br)cs1 Amb24533193 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.75 CC(=O)CCc1cc(C)cs1 Amb33373478 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.75 CC(=O)CCc1cc(C)on1 Amb18201114 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.75 CC(=O)CCc1cc(Cl)cs1 Amb33058561 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.75 CC(=O)CCc1ccc(Br)o1 Amb25358774 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.75 CC(=O)CCc1ccc(Br)s1 Amb9031566 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.75 CC(=O)CCc1ccc(C)o1 Amb2794107 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.75 CC(=O)CCc1ccc(C)s1 Amb27197401 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.75 CC(=O)CCc1ccc(Cl)o1 Amb33258674 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.75 CC(=O)CCc1ccc(Cl)s1 Amb9031565 [0,1,0,0,0,0|3,0,0]=4 571 B11R1.75 CC(=O)CCc1ccn(C)c1 Amb18224264 [0,1,0,0,0,0|2,0,0]=3 572 B11R1.75 CC(=O)CCc1ccn(C)n1 Amb18201311 [0,1,0,0,0,0|3,0,0]=4 573 B11R1.75 CC(=O)CCc1cn(C)cn1 Amb26328220 [0,1,0,0,0,0|1,0,0]=2 574 B11R1.75 CC(=O)CCc1cn(C)nn1 Amb26580597 [0,1,0,0,0,0|2,0,0]=3 575 B11R1.75 CC(=O)CCc1cnc(C)s1 Amb25084411 [0,1,0,0,0,0|2,0,1]=4 576 B11R1.75 CC(=O)CCc1cnc(Cl)s1 Amb2436182 [0,1,0,0,0,0|2,0,1]=4 577 B11R1.75 CC(=O)CCc1cnc(N)s1 Amb33307917 [0,1,0,0,0,0|2,0,1]=4 578 B11R1.75 CC(=O)CCc1cnn(C)c1 Amb18179442 [0,1,0,0,0,0|3,0,0]=4 579 B11R1.75 CC(=O)CCc1csc(Br)c1 Amb33263429 [0,1,0,0,0,0|3,0,0]=4 580 B11R1.75 CC(=O)CCc1csc(Br)n1 Amb33335510 [0,1,0,0,0,0|2,0,0]=3 581 B11R1.75 CC(=O)CCc1csc(C)n1 Amb18062040 [0,1,0,0,0,0|2,0,0]=3 582 B11R1.75 CC(=O)CCc1csc(Cl)c1 Amb24523155 [0,1,0,0,0,0|3,0,0]=4 583 B11R1.75 CC(=O)CCc1nc(C)cs1 Amb17334776 [0,1,0,0,0,0|3,0,0]=4 584 B11R1.75 CC(=O)CCc1nc(C)no1 Amb27226295 [0,1,0,0,0,0|2,0,1]=4 585 B11R1.75 CC(=O)CCc1ncc(Br)s1 Amb33434751 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.75 CC(=O)CCc1ncc(C)o1 Amb18201112 [0,1,0,0,0,0|3,0,0]=4 587 B11R1.75 CC(=O)CCn1cc(C)cn1 Amb18179419 [0,1,0,0,0,0|3,0,0]=4 588 B11R1.75 CC(=O)CCn1cc(I)cn1 Amb27975572 [0,1,0,0,0,0|3,0,0]=4 589 B11R1.75 CC(=O)CCn1ccc(C)n1 Amb27830341 [0,1,0,0,0,0|3,0,0]=4 590 B11R1.75 CC(=O)NCc1cn(C)nn1 Amb27840390 [0,1,0,0,0,0|3,0,0]=4 591 B11R1.75 CC(=O)NCc1csc(N)n1 Amb32722653 [0,1,0,0,0,0|3,0,0]=4 592 B11R1.75 CC(=O)OCc1cn(C)nn1 Amb27176855 [0,1,0,0,0,0|3,0,0]=4 593 B11R1.75 CC(=O)OCc1csc(C)n1 Amb22749065 [0,1,0,0,0,0|3,0,0]=4 594 B11R1.75 CC(=O)OCc1csc(Cl)n1 Amb27979274 [0,1,0,0,0,0|3,0,0]=4 595 B11R1.75 CC(=O)SCC1=CNC(=O)N1 Amb27401201 [0,1,0,0,0,0|2,0,1]=4 596 B11R1.75 CC(=O)\C=C\c1cn(C)cn1 Amb33079480 [0,1,0,0,0,0|1,0,2]=4 597 B11R1.75 CC(Cl)CCc1cn(C)cn1 Amb27425302 [0,1,0,0,0,0|2,0,1]=4 598 B11R1.75 CC(N)CCc1cn(C)cn1 Amb26932926 [0,1,0,0,0,0|2,0,1]=4 599 B11R1.75 CC(O)CCc1cn(C)cn1 Amb24502083 [0,1,0,0,0,0|1,0,1]=3 600 B11R1.75 CC(O)CCc1cn(C)nn1 Amb27823753 [0,1,0,0,0,0|2,0,1]=4 601 B11R1.75 CC(O)CCc1csc(Br)n1 Amb33335441 [0,1,0,0,0,0|2,0,1]=4 602 B11R1.75 CC1=CC(CCC(=O)O)=CC1 Amb27632504 [0,1,0,0,0,0|2,0,0]=3 603 B11R1.75 CC1CN=C(CCC(=O)O)O1 Amb27958613 [0,1,0,0,0,0|2,0,1]=4 604 B11R1.75 CC1COC(CCC(=O)O)=N1 Amb27427576 [0,1,0,0,0,0|2,0,1]=4 605 B11R1.75 C[C@@H](N)CCc1cn(C)cn1 Amb33326987 [0,1,0,0,0,0|2,0,1]=4 606 B11R1.75 C[C@@H](O)CCc1cn(C)cn1 Amb33326166 [0,1,0,0,0,0|1,0,1]=3 607 B11R1.75 C[C@@H](O)CCc1cn(C)nn1 Amb33325733 [0,1,0,0,0,0|2,0,1]=4 608 B11R1.75 C[C@@H](O)CCc1csc(Br)n1 Amb33335449 [0,1,0,0,0,0|2,0,1]=4 609 B11R1.75 C[C@H](N)CCc1cn(C)cn1 Amb33326986 [0,1,0,0,0,0|2,0,1]=4 610 B11R1.75 C[C@H](O)CCc1cn(C)cn1 Amb33326989 [0,1,0,0,0,0|1,0,1]=3 611 B11R1.75 C[C@H](O)CCc1cn(C)nn1 Amb33325734 [0,1,0,0,0,0|2,0,1]=4 612 B11R1.75 C[C@H](O)CCc1csc(Br)n1 Amb33335444 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.75 Cc1cc(CCC(=O)O)co1 Amb32713189 [0,1,0,0,0,0|2,0,0]=3 614 B11R1.75 Cc1cc(CCC(=O)O)cs1 Amb27809533 [0,1,0,0,0,0|2,0,0]=3 615 B11R1.75 Cc1cc(CCC(=O)O)no1 Amb18061968 [0,1,0,0,0,0|2,0,0]=3 616 B11R1.75 Cc1cc(CCC(=O)O)ns1 Amb18198608 [0,1,0,0,0,0|2,0,0]=3 617 B11R1.75 Cc1cc(CCC(=O)O)on1 Amb18200535 [0,1,0,0,0,0|2,0,1]=4 618 B11R1.75 Cc1cc(CCC(=O)O)sn1 Amb18198610 [0,1,0,0,0,0|2,0,1]=4 619 B11R1.75 Cc1cc(NCC(=O)O)no1 Amb20573519 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.75 Cc1cc(OCC(=O)O)no1 Amb431307 [0,1,0,0,0,0|3,0,0]=4 621 B11R1.75 Cc1ccc(CCC(=O)O)o1 Amb6336472 [0,1,0,0,0,0|2,0,0]=3 622 B11R1.75 Cc1ccc(CCC(=O)O)s1 Amb33528678 [0,1,0,0,0,0|2,0,0]=3 623 B11R1.75 Cc1ccc(CCC(N)=O)o1 Amb4055592 [0,1,0,0,0,0|3,0,0]=4 624 B11R1.75 Cc1ccc(OCC(=O)O)o1 Amb33317586 [0,1,0,0,0,0|3,0,0]=4 625 B11R1.75 Cc1ccc(OCC(=O)O)s1 Amb33375162 [0,1,0,0,0,0|3,0,0]=4 626 B11R1.75 Cc1ccc(SCC(=O)O)s1 Amb27232833 [0,1,0,0,0,0|3,0,0]=4 627 B11R1.75 Cc1ccn(CCC(=O)O)c1 Amb27437999 [0,1,0,0,0,0|3,0,0]=4 628 B11R1.75 Cc1ccn(CCC(=O)O)n1 Amb1929065 [0,1,0,0,0,0|2,0,0]=3 629 B11R1.75 Cc1ccn(CCC(N)=O)n1 Amb574723 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.75 Cc1cn(CCC(=O)O)cn1 Amb18254950 [0,1,0,0,0,0|2,0,1]=4 631 B11R1.75 Cc1cnc(CCC(=O)O)o1 Amb17087659 [0,1,0,0,0,0|2,0,0]=3 632 B11R1.75 Cc1cnn(CCC(=O)O)c1 Amb1935137 [0,1,0,0,0,0|2,0,0]=3 633 B11R1.75 Cc1coc(CCC(=O)O)n1 Amb18200527 [0,1,0,0,0,0|2,0,0]=3 634 B11R1.75 Cc1csc(CCC(=O)O)c1 Amb22886570 [0,1,0,0,0,0|2,0,0]=3 635 B11R1.75 Cc1csc(CCC(=O)O)n1 Amb8010617 [0,1,0,0,0,0|2,0,0]=3 636 B11R1.75 Cc1csc(CCC(N)=O)n1 Amb1987319 [0,1,0,0,0,0|3,0,0]=4 637 B11R1.75 Cc1csc(NCC(=O)O)n1 Amb6279692 [0,1,0,0,0,0|3,0,0]=4 638 B11R1.75 Cc1csc(OCC(=O)O)c1 Amb33373452 [0,1,0,0,0,0|3,0,0]=4 639 B11R1.75 Cc1csc(OCC(=O)O)n1 Amb27972631 [0,1,0,0,0,0|3,0,0]=4 640 B11R1.75 Cc1csc(SCC(=O)O)c1 Amb27823333 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.75 Cc1csc(SCC(=O)O)n1 Amb1130270 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.75 Cc1nc(C#CC(=O)O)co1 Amb33169011 [0,1,0,0,0,0|1,0,2]=4 643 B11R1.75 Cc1nc(C#CC(=O)O)cs1 Amb27647806 [0,1,0,0,0,0|1,0,2]=4 644 B11R1.75 Cc1nc(CCC(=O)O)co1 Amb17399989 [0,1,0,0,0,0|1,0,0]=2 645 B11R1.75 Cc1nc(CCC(=O)O)cs1 Amb8010320 [0,1,0,0,0,0|1,0,0]=2 646 B11R1.75 Cc1nc(CCC(=O)O)no1 Amb17081559 [0,1,0,0,0,0|2,0,0]=3 647 B11R1.75 Cc1nc(CCC(C)O)cs1 Amb25149001 [0,1,0,0,0,0|2,0,1]=4 648 B11R1.75 Cc1nc(CC[C@@H](C)O)cs1 Amb33415371 [0,1,0,0,0,0|2,0,1]=4 649 B11R1.75 Cc1nc(CC[C@H](C)O)cs1 Amb33415372 [0,1,0,0,0,0|2,0,1]=4 650 B11R1.75 Cc1nc(CC[N+](=O)[O-])cs1 Amb33414931 [0,1,0,0,0,0|2,0,1]=4 651 B11R1.75 Cc1nc(OCC(=O)O)cs1 Amb33320495 [0,1,0,0,0,0|2,0,0]=3 652 B11R1.75 Cc1nc(\C=C\C(=O)O)co1 Amb27632440 [0,1,0,0,0,0|1,0,2]=4 653 B11R1.75 Cc1nc(\C=C\C(=O)O)cs1 Amb501605 [0,1,0,0,0,0|1,0,2]=4 654 B11R1.75 Cc1ncc(CCC(=O)O)o1 Amb18830921 [0,1,0,0,0,0|1,0,1]=3 655 B11R1.75 Cc1ncc(CCC(=O)O)s1 Amb18302885 [0,1,0,0,0,0|1,0,1]=3 656 B11R1.75 Cc1ncc(CCC(N)=O)s1 Amb23560128 [0,1,0,0,0,0|2,0,1]=4 657 B11R1.75 Cc1ncc(OCC(=O)O)s1 Amb33148158 [0,1,0,0,0,0|2,0,1]=4 658 B11R1.75 Cc1ncn(CCC(=O)O)n1 Amb18254980 [0,1,0,0,0,0|1,0,1]=3 659 B11R1.75 Cc1ncn(CCC(N)=O)n1 Amb27262428 [0,1,0,0,0,0|2,0,1]=4 660 B11R1.75 Cc1nnc(CCC(=O)O)o1 Amb17101939 [0,1,0,0,0,0|2,0,1]=4 661 B11R1.75 Cc1nnc(CCC(=O)O)s1 Amb8010338 [0,1,0,0,0,0|2,0,1]=4 662 B11R1.75 Cc1nnn(CCC(=O)O)n1 Amb23596818 [0,1,0,0,0,0|2,0,1]=4 663 B11R1.75 Cc1noc(CCC(=O)O)n1 Amb525959 [0,1,0,0,0,0|1,0,1]=3 664 B11R1.75 Cc1noc(CCC(N)=O)n1 Amb8860462 [0,1,0,0,0,0|2,0,1]=4 665 B11R1.75 Cc1nsc(CCC(=O)O)n1 Amb18825366 [0,1,0,0,0,0|1,0,1]=3 666 B11R1.75 Cc1nsc(OCC(=O)O)n1 Amb24414364 [0,1,0,0,0,0|2,0,1]=4 667 B11R1.75 Cn1cc(CCC(=O)O)cn1 Amb1946073 [0,1,0,0,0,0|2,0,0]=3 668 B11R1.75 Cn1cc(CCC(=O)O)nn1 Amb33548119 [0,1,0,0,0,0|1,0,0]=2 669 B11R1.75 Cn1cc(CCC(N)=O)cn1 Amb28281422 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.75 Cn1cc(CC[N+](=O)[O-])nn1 Amb33325715 [0,1,0,0,0,0|2,0,1]=4 671 B11R1.75 Cn1cc(CNC(=O)Cl)nn1 Amb35633458 [0,1,0,0,0,0|3,0,0]=4 672 B11R1.75 Cn1cc(NCC(=O)O)cn1 Amb18933570 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.75 Cn1cc(NCC(=O)O)cn1 Amb28652967 [0,1,0,0,0,0|3,0,0]=4 674 B11R1.75 Cn1cc(OCC(=O)O)cn1 Amb23509498 [0,1,0,0,0,0|3,0,0]=4 675 B11R1.75 Cn1cc(OCC(=O)O)cn1 Amb28653015 [0,1,0,0,0,0|3,0,0]=4 676 B11R1.75 Cn1cc(OCC(=O)O)nn1 Amb33325361 [0,1,0,0,0,0|2,0,0]=3 677 B11R1.75 Cn1cc(SCC(=O)O)cn1 Amb18292760 [0,1,0,0,0,0|3,0,0]=4 678 B11R1.75 Cn1cc(\C=C\C(=O)O)nn1 Amb32665302 [0,1,0,0,0,0|1,0,2]=4 679 B11R1.75 Cn1cc[n+](CCC(=O)O)c1 Amb28458349 [0,1,0,0,0,0|2,0,0]=3 680 B11R1.75 Cn1ccc(CCC(=O)O)c1 Amb18065395 [0,1,0,0,0,0|1,0,0]=2 681 B11R1.75 Cn1ccc(CCC(=O)O)n1 Amb6888349 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.75 Cn1ccc(CNC(N)=O)c1 Amb27861678 [0,1,0,0,0,0|3,0,0]=4 683 B11R1.75 Cn1ccc(NCC(=O)O)n1 Amb24587678 [0,1,0,0,0,0|3,0,0]=4 684 B11R1.75 Cn1ccc(OCC(=O)O)n1 Amb25239172 [0,1,0,0,0,0|3,0,0]=4 685 B11R1.75 Cn1ccc(\C=C\C(=O)O)c1 Amb33473125 [0,1,0,0,0,0|1,0,2]=4 686 B11R1.75 Cn1cnc(C#CC(=O)O)c1 Amb25148144 [0,1,0,0,0,0|0,0,2]=3 687 B11R1.75 Cn1cnc(CCC(=O)O)c1 Amb18064894 [0,1,0,0,0,0|0,0,0]=1 688 B11R1.75 Cn1cnc(CCC(=O)O)n1 Amb18200507 [0,1,0,0,0,0|1,0,0]=2 689 B11R1.75 Cn1cnc(CC[N+](=O)[O-])c1 Amb33324404 [0,1,0,0,0,0|1,0,1]=3 690 B11R1.75 Cn1cnc(CNC(=O)Cl)n1 Amb35633504 [0,1,0,0,0,0|3,0,0]=4 691 B11R1.75 Cn1cnc(COC(=O)Cl)c1 Amb33297125 [0,1,0,0,0,0|2,0,0]=3 692 B11R1.75 Cn1cnc(OCC(=O)O)c1 Amb33323871 [0,1,0,0,0,0|1,0,0]=2 693 B11R1.75 Cn1cnc(\C=C/C(=O)O)c1 Amb28066706 [0,1,0,0,0,0|0,0,2]=3 694 B11R1.75 Cn1cnc(\C=C\C(=O)O)c1 Amb18125373 [0,1,0,0,0,0|0,0,2]=3 695 B11R1.75 Cn1cnc(\C=C\C(=O)O)c1 Amb34914982 [0,1,0,0,0,0|0,0,2]=3 696 B11R1.75 Cn1ncc(CCC(=O)O)n1 Amb26001419 [0,1,0,0,0,0|1,0,1]=3 697 B11R1.75 Cn1nnc(CCC(=O)O)n1 Amb18065445 [0,1,0,0,0,0|2,0,0]=3 698 B11R1.75 NC(=O)CCc1ccc(Cl)s1 Amb20638603 [0,1,0,0,0,0|3,0,0]=4 699 B11R1.75 NC(=O)CCc1cnc(Br)s1 Amb27193794 [0,1,0,0,0,0|2,0,1]=4 700 B11R1.75 NC(=O)CCc1cnc(Cl)s1 Amb28051643 [0,1,0,0,0,0|2,0,1]=4 701 B11R1.75 NC(=O)CCc1csc(N)n1 Amb9175367 [0,1,0,0,0,0|2,0,0]=3 702 B11R1.75 NC(=O)CCn1cc(Br)cn1 Amb10608415 [0,1,0,0,0,0|3,0,0]=4 703 B11R1.75 NC(=O)CCn1cc(F)cn1 Amb23400645 [0,1,0,0,0,0|3,0,0]=4 704 B11R1.75 NC(=O)CCn1cc(I)cn1 Amb16186682 [0,1,0,0,0,0|3,0,0]=4 705 B11R1.75 NC(=O)CCn1cc(N)cn1 Amb8842954 [0,1,0,0,0,0|3,0,0]=4 706 B11R1.75 NC(=O)CCn1ccc(Br)n1 Amb24269221 [0,1,0,0,0,0|3,0,0]=4 707 B11R1.75 NC(=O)CCn1ccc(N)n1 Amb18288887 [0,1,0,0,0,0|3,0,0]=4 708 B11R1.75 NC(=O)CCn1cnc(N)n1 Amb18292039 [0,1,0,0,0,0|2,0,1]=4 709 B11R1.75 NC(=O)NCC1=CNC(=O)N1 Amb25779952 [0,1,0,0,0,0|2,0,1]=4 710 B11R1.75 Nc1cc(CCC(=O)O)no1 Amb27411476 [0,1,0,0,0,0|2,0,0]=3 711 B11R1.75 Nc1ccc(CCC(=O)O)s1 Amb18825427 [0,1,0,0,0,0|2,0,0]=3 712 B11R1.75 Nc1ccn(CCC(=O)O)n1 Amb22279577 [0,1,0,0,0,0|2,0,0]=3 713 B11R1.75 Nc1ccn(CCC(=O)O)n1 Amb6888708 [0,1,0,0,0,0|2,0,0]=3 714 B11R1.75 Nc1cn(CCC(=O)O)cn1 Amb18200504 [0,1,0,0,0,0|2,0,1]=4 715 B11R1.75 Nc1cn(CCC(=O)O)nn1 Amb25253567 [0,1,0,0,0,0|3,0,0]=4 716 B11R1.75 Nc1cnn(CCC(=O)O)c1 Amb22279501 [0,1,0,0,0,0|2,0,0]=3 717 B11R1.75 Nc1cnn(CCC(=O)O)c1 Amb9777866 [0,1,0,0,0,0|2,0,0]=3 718 B11R1.75 Nc1cnn(CCC(=O)O)n1 Amb18200236 [0,1,0,0,0,0|3,0,0]=4 719 B11R1.75 Nc1nc(CCC(=O)O)co1 Amb27762926 [0,1,0,0,0,0|1,0,0]=2 720 B11R1.75 Nc1nc(CCC(=O)O)cs1 Amb13949099 [0,1,0,0,0,0|1,0,0]=2 721 B11R1.75 Nc1nc(CCC(=O)O)cs1 Amb21955536 [0,1,0,0,0,0|1,0,0]=2 722 B11R1.75 Nc1nc(CCC(=O)O)cs1 Amb2721898 [0,1,0,0,0,0|1,0,0]=2 723 B11R1.75 Nc1ncc(CCC(=O)O)s1 Amb19373489 [0,1,0,0,0,0|1,0,1]=3 724 B11R1.75 Nc1ncn(CCC(=O)O)n1 Amb22280454 [0,1,0,0,0,0|1,0,1]=3 725 B11R1.75 Nc1ncn(CCC(=O)O)n1 Amb6891192 [0,1,0,0,0,0|1,0,1]=3 726 B11R1.75 Nc1nnc(CCC(=O)O)o1 Amb18224389 [0,1,0,0,0,0|2,0,1]=4 727 B11R1.75 Nc1nnc(CCC(=O)O)s1 Amb6353918 [0,1,0,0,0,0|2,0,1]=4 728 B11R1.75 Nc1noc(CCC(=O)O)n1 Amb18200031 [0,1,0,0,0,0|1,0,1]=3 729 B11R1.75 O=C(Cl)CCc1ccc(Cl)s1 Amb26008268 [0,1,0,0,0,0|3,0,0]=4 730 B11R1.75 O=C(O)CCC1=CC(=O)NN1 Amb18200286 [0,1,0,0,0,0|2,0,0]=3 731 B11R1.75 O=C(O)CCC1=CC(=O)NO1 Amb18830676 [0,1,0,0,0,0|2,0,0]=3 732 B11R1.75 O=C(O)CCC1=CNC(=O)N1 Amb19550071 [0,1,0,0,0,0|0,0,1]=2 733 B11R1.75 O=C(O)CCC1=CNC(=S)N1 Amb20243447 [0,1,0,0,0,0|0,0,1]=2 734 B11R1.75 O=C(O)CCC1=CSC(=O)N1 Amb18544048 [0,1,0,0,0,0|1,0,1]=3 735 B11R1.75 O=C(O)CCC1=NC(=O)NN1 Amb20669262 [0,1,0,0,0,0|1,0,0]=2 736 B11R1.75 O=C(O)CCC1=NNC(=O)C1 Amb18200284 [0,1,0,0,0,0|2,0,0]=3 737 B11R1.75 O=C(O)CCC1=NOC(=O)C1 Amb27209293 [0,1,0,0,0,0|2,0,1]=4 738 B11R1.75 O=C(O)CCC1CNC(=O)N1 Amb27955291 [0,1,0,0,0,0|0,0,3]=4 739 B11R1.75 O=C(O)CCc1cc(Br)co1 Amb33332934 [0,1,0,0,0,0|2,0,0]=3 740 B11R1.75 O=C(O)CCc1cc(Br)cs1 Amb8834285 [0,1,0,0,0,0|2,0,0]=3 741 B11R1.75 O=C(O)CCc1cc(Br)no1 Amb16186748 [0,1,0,0,0,0|2,0,1]=4 742 B11R1.75 O=C(O)CCc1cc(Cl)cs1 Amb19374564 [0,1,0,0,0,0|2,0,0]=3 743 B11R1.75 O=C(O)CCc1cc(Cl)no1 Amb1063482 [0,1,0,0,0,0|2,0,1]=4 744 B11R1.75 O=C(O)CCc1cc(O)no1 Amb535160 [0,1,0,0,0,0|2,0,1]=4 745 B11R1.75 O=C(O)CCc1cc(O)on1 Amb27631530 [0,1,0,0,0,0|2,0,0]=3 746 B11R1.75 O=C(O)CCc1ccc(Br)o1 Amb9175389 [0,1,0,0,0,0|2,0,0]=3 747 B11R1.75 O=C(O)CCc1ccc(Br)s1 Amb33528679 [0,1,0,0,0,0|2,0,0]=3 748 B11R1.75 O=C(O)CCc1ccc(Cl)o1 Amb27235080 [0,1,0,0,0,0|2,0,0]=3 749 B11R1.75 O=C(O)CCc1ccc(Cl)s1 Amb3934543 [0,1,0,0,0,0|2,0,0]=3 750 B11R1.75 O=C(O)CCc1ccc(F)o1 Amb27428994 [0,1,0,0,0,0|2,0,0]=3 751 B11R1.75 O=C(O)CCc1ccc(F)s1 Amb28132897 [0,1,0,0,0,0|2,0,0]=3 752 B11R1.75 O=C(O)CCc1cnc(Br)s1 Amb9787016 [0,1,0,0,0,0|1,0,1]=3 753 B11R1.75 O=C(O)CCc1cnc(Cl)s1 Amb27224214 [0,1,0,0,0,0|1,0,1]=3 754 B11R1.75 O=C(O)CCc1coc(Br)c1 Amb26937632 [0,1,0,0,0,0|2,0,0]=3 755 B11R1.75 O=C(O)CCc1csc(Br)c1 Amb26879641 [0,1,0,0,0,0|2,0,0]=3 756 B11R1.75 O=C(O)CCc1csc(Br)n1 Amb17409134 [0,1,0,0,0,0|1,0,0]=2 757 B11R1.75 O=C(O)CCc1csc(Cl)c1 Amb25116438 [0,1,0,0,0,0|2,0,0]=3 758 B11R1.75 O=C(O)CCc1csc(I)c1 Amb33470232 [0,1,0,0,0,0|2,0,0]=3 759 B11R1.75 O=C(O)CCc1csc(S)n1 Amb18129800 [0,1,0,0,0,0|1,0,0]=2 760 B11R1.75 O=C(O)CCc1nc(Br)no1 Amb18162861 [0,1,0,0,0,0|1,0,1]=3 761 B11R1.75 O=C(O)CCc1ncc(Br)s1 Amb25758944 [0,1,0,0,0,0|2,0,0]=3 762 B11R1.75 O=C(O)CCc1ncc(Cl)s1 Amb25957742 [0,1,0,0,0,0|2,0,0]=3 763 B11R1.75 O=C(O)CCc1nnc(S)o1 Amb18862901 [0,1,0,0,0,0|2,0,1]=4 764 B11R1.75 O=C(O)CCn1cc(Br)cn1 Amb1946001 [0,1,0,0,0,0|2,0,0]=3 765 B11R1.75 O=C(O)CCn1cc(Cl)cn1 Amb1945454 [0,1,0,0,0,0|2,0,0]=3 766 B11R1.75 O=C(O)CCn1cc(F)cn1 Amb23400571 [0,1,0,0,0,0|2,0,0]=3 767 B11R1.75 O=C(O)CCn1cc(I)cn1 Amb16186678 [0,1,0,0,0,0|2,0,0]=3 768 B11R1.75 O=C(O)CCn1cc(O)cn1 Amb18200252 [0,1,0,0,0,0|2,0,0]=3 769 B11R1.75 O=C(O)CCn1ccc(Br)n1 Amb20619997 [0,1,0,0,0,0|2,0,0]=3 770 B11R1.75 O=C(O)CCn1ccc(I)n1 Amb24192757 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.75 O=C(O)CCn1cnc(Br)n1 Amb24269229 [0,1,0,0,0,0|1,0,1]=3 772 B11R1.75 O=C(O)CCn1cnc(Cl)n1 Amb23481536 [0,1,0,0,0,0|1,0,1]=3 773 B11R1.75 O=C(O)CCn1cnc(I)n1 Amb27617474 [0,1,0,0,0,0|1,0,1]=3 774 B11R1.75 O=C(O)CCn1ncc(Br)n1 Amb32658600 [0,1,0,0,0,0|3,0,0]=4 775 B11R1.75 O=C(O)CNc1cc(Br)cs1 Amb26040154 [0,1,0,0,0,0|3,0,0]=4 776 B11R1.75 O=C(O)CNc1ccc(Br)s1 Amb27762809 [0,1,0,0,0,0|3,0,0]=4 777 B11R1.75 O=C(O)CNc1ccc(Cl)s1 Amb27157923 [0,1,0,0,0,0|3,0,0]=4 778 B11R1.75 O=C(O)CNc1nc(Br)cs1 Amb27389535 [0,1,0,0,0,0|3,0,0]=4 779 B11R1.75 O=C(O)CNc1nc(Cl)cs1 Amb28282101 [0,1,0,0,0,0|3,0,0]=4 780 B11R1.75 O=C(O)COc1cc(Br)co1 Amb33383653 [0,1,0,0,0,0|3,0,0]=4 781 B11R1.75 O=C(O)COc1cc(Br)cs1 Amb33388713 [0,1,0,0,0,0|3,0,0]=4 782 B11R1.75 O=C(O)COc1cc(Cl)cs1 Amb33058566 [0,1,0,0,0,0|3,0,0]=4 783 B11R1.75 O=C(O)COc1ccc(Br)o1 Amb33452237 [0,1,0,0,0,0|3,0,0]=4 784 B11R1.75 O=C(O)COc1ccc(Br)s1 Amb33008019 [0,1,0,0,0,0|3,0,0]=4 785 B11R1.75 O=C(O)COc1ccc(Cl)o1 Amb33259048 [0,1,0,0,0,0|3,0,0]=4 786 B11R1.75 O=C(O)COc1ccc(Cl)s1 Amb25941434 [0,1,0,0,0,0|3,0,0]=4 787 B11R1.75 O=C(O)COc1cnc(Cl)s1 Amb33221827 [0,1,0,0,0,0|2,0,1]=4 788 B11R1.75 O=C(O)COc1csc(Br)c1 Amb33433598 [0,1,0,0,0,0|3,0,0]=4 789 B11R1.75 O=C(O)COc1csc(Br)n1 Amb33335852 [0,1,0,0,0,0|2,0,0]=3 790 B11R1.75 O=C(O)COc1csc(Cl)c1 Amb18651351 [0,1,0,0,0,0|3,0,0]=4 791 B11R1.75 O=C(O)COc1ncc(Br)s1 Amb33434783 [0,1,0,0,0,0|3,0,0]=4 792 B11R1.75 O=C(O)CSC1=NC(=O)CS1 Amb25209938 [0,1,0,0,0,0|3,0,0]=4 793 B11R1.75 O=C(O)CSC1=NNC(=O)N1 Amb33551129 [0,1,0,0,0,0|2,0,1]=4 794 B11R1.75 O=C(O)CSC1=NNC(=S)S1 Amb19262221 [0,1,0,0,0,0|3,0,0]=4 795 B11R1.75 O=C(O)CSc1ccc(Br)s1 Amb17083000 [0,1,0,0,0,0|3,0,0]=4 796 B11R1.75 O=C(O)CSc1ccc(Cl)s1 Amb17082995 [0,1,0,0,0,0|3,0,0]=4 797 B11R1.75 O=C(O)CSc1nc(O)cs1 Amb35710097 [0,1,0,0,0,0|3,0,0]=4 798 B11R1.75 O=C(O)\C=C\C1=CNC(=S)N1 Amb24726371 [0,1,0,0,0,0|0,0,3]=4 799 B11R1.75 O=C(O)\C=C\c1csc(Br)n1 Amb28130054 [0,1,0,0,0,0|1,0,2]=4 800 B11R1.75 O=[N+]([O-])CCc1csc(Br)n1 Amb33456712 [0,1,0,0,0,0|2,0,1]=4 801 B11R1.77 C=C(C)CC(N)c1cscn1 Amb28047689 [0,1,0,0,0,0|3,0,0]=4 802 B11R1.77 C=C(CC(=O)O)c1cccs1 Amb27607726 [0,1,0,0,0,0|2,0,1]=4 803 B11R1.77 CC(=O)CC(=O)c1cscn1 Amb26980772 [0,1,0,0,0,0|2,0,1]=4 804 B11R1.77 CC(=O)CC(C)c1cccs1 Amb5740066 [0,1,0,0,0,0|3,0,0]=4 805 B11R1.77 CC(=O)CC(C)c1ccsn1 Amb28054579 [0,1,0,0,0,0|3,0,0]=4 806 B11R1.77 CC(=O)CC(C)c1cncs1 Amb35612878 [0,1,0,0,0,0|2,0,1]=4 807 B11R1.77 CC(=O)CC(C)n1cncn1 Amb28066484 [0,1,0,0,0,0|2,0,1]=4 808 B11R1.77 CC(=O)CC(N)c1ccoc1 Amb27804016 [0,1,0,0,0,0|3,0,0]=4 809 B11R1.77 CC(=O)CC(O)c1ccco1 Amb26055659 [0,1,0,0,0,0|3,0,0]=4 810 B11R1.77 CC(=O)CC(O)c1ccoc1 Amb27762505 [0,1,0,0,0,0|3,0,0]=4 811 B11R1.77 CC(=O)C[C@H](C)c1cccs1 Amb27948566 [0,1,0,0,0,0|3,0,0]=4 812 B11R1.77 CC(=O)C[C@H](O)c1ccsc1 Amb27226997 [0,1,0,0,0,0|3,0,0]=4 813 B11R1.77 CC(=O)NC(C)c1cscn1 Amb35612292 [0,1,0,0,0,0|3,0,0]=4 814 B11R1.77 CC(CC(=O)Cl)c1cccs1 Amb5738838 [0,1,0,0,0,0|3,0,0]=4 815 B11R1.77 CC(CC(=O)O)C1=CCCO1 Amb27843728 [0,1,0,0,0,0|2,0,1]=4 816 B11R1.77 CC(CC(=O)O)c1ccco1 Amb33533316 [0,1,0,0,0,0|2,0,0]=3 817 B11R1.77 CC(CC(=O)O)c1cccs1 Amb5738626 [0,1,0,0,0,0|2,0,0]=3 818 B11R1.77 CC(CC(=O)O)c1ccoc1 Amb25890909 [0,1,0,0,0,0|2,0,0]=3 819 B11R1.77 CC(CC(=O)O)c1ccon1 Amb33079047 [0,1,0,0,0,0|2,0,0]=3 820 B11R1.77 CC(CC(=O)O)c1ccsc1 Amb25274979 [0,1,0,0,0,0|2,0,0]=3 821 B11R1.77 CC(CC(=O)O)c1cnco1 Amb33415284 [0,1,0,0,0,0|1,0,1]=3 822 B11R1.77 CC(CC(=O)O)c1cncs1 Amb29878199 [0,1,0,0,0,0|1,0,1]=3 823 B11R1.77 CC(CC(=O)O)c1cnsc1 Amb35720166 [0,1,0,0,0,0|2,0,1]=4 824 B11R1.77 CC(CC(=O)O)c1cscn1 Amb28199109 [0,1,0,0,0,0|1,0,0]=2 825 B11R1.77 CC(CC(=O)O)c1csnn1 Amb33321955 [0,1,0,0,0,0|2,0,0]=3 826 B11R1.77 CC(CC(=O)O)c1nccs1 Amb17334846 [0,1,0,0,0,0|2,0,0]=3 827 B11R1.77 CC(CC(=O)O)n1cccc1 Amb8865961 [0,1,0,0,0,0|3,0,0]=4 828 B11R1.77 CC(CC(=O)O)n1cccn1 Amb2721837 [0,1,0,0,0,0|2,0,0]=3 829 B11R1.77 CC(CC(=O)O)n1ccnc1 Amb20668070 [0,1,0,0,0,0|2,0,1]=4 830 B11R1.77 CC(CC(=O)O)n1ccnc1 Amb33531763 [0,1,0,0,0,0|2,0,1]=4 831 B11R1.77 CC(CC(=O)O)n1cncn1 Amb2572537 [0,1,0,0,0,0|1,0,1]=3 832 B11R1.77 CC(CC(N)=O)c1cccs1 Amb17232718 [0,1,0,0,0,0|3,0,0]=4 833 B11R1.77 CC(NC(N)=O)c1cscn1 Amb30036879 [0,1,0,0,0,0|3,0,0]=4 834 B11R1.77 CN(CC(=O)O)c1cccs1 Amb27639709 [0,1,0,0,0,0|3,0,0]=4 835 B11R1.77 C[C@H](CC(=O)O)n1cccc1 Amb27758679 [0,1,0,0,0,0|3,0,0]=4 836 B11R1.77 NC(=O)CC(N)c1ccco1 Amb7800615 [0,1,0,0,0,0|3,0,0]=4 837 B11R1.77 NC(=O)CC(N)c1cccs1 Amb7800598 [0,1,0,0,0,0|3,0,0]=4 838 B11R1.77 NC(=O)CC(N)c1ccoc1 Amb26562081 [0,1,0,0,0,0|3,0,0]=4 839 B11R1.77 NC(=O)CC(N)c1ccsc1 Amb7800649 [0,1,0,0,0,0|3,0,0]=4 840 B11R1.77 NC(=O)CC(N)c1cncs1 Amb25145791 [0,1,0,0,0,0|2,0,1]=4 841 B11R1.77 NC(=O)CC(N)c1cscn1 Amb27433739 [0,1,0,0,0,0|2,0,0]=3 842 B11R1.77 NC(=O)CC(N)c1csnn1 Amb26603709 [0,1,0,0,0,0|3,0,0]=4 843 B11R1.77 NC(=O)CC(N)c1nccs1 Amb27461310 [0,1,0,0,0,0|3,0,0]=4 844 B11R1.77 NC(=O)C[C@@H](N)c1ccco1 Amb18179504 [0,1,0,0,0,0|3,0,0]=4 845 B11R1.77 NC(=O)C[C@@H](N)c1cccs1 Amb18180267 [0,1,0,0,0,0|3,0,0]=4 846 B11R1.77 NC(=O)C[C@@H](N)c1ccoc1 Amb28207632 [0,1,0,0,0,0|3,0,0]=4 847 B11R1.77 NC(=O)C[C@@H](N)c1ccsc1 Amb18180266 [0,1,0,0,0,0|3,0,0]=4 848 B11R1.77 NC(=O)C[C@@H](N)c1cncs1 Amb28066286 [0,1,0,0,0,0|2,0,1]=4 849 B11R1.77 NC(=O)C[C@@H](N)c1cscn1 Amb26409301 [0,1,0,0,0,0|2,0,0]=3 850 B11R1.77 NC(=O)C[C@@H](N)c1csnn1 Amb25187525 [0,1,0,0,0,0|3,0,0]=4 851 B11R1.77 NC(=O)C[C@@H](N)c1nccs1 Amb28194763 [0,1,0,0,0,0|3,0,0]=4 852 B11R1.77 NC(=O)C[C@H](N)c1ccco1 Amb25702198 [0,1,0,0,0,0|3,0,0]=4 853 B11R1.77 NC(=O)C[C@H](N)c1cccs1 Amb25991260 [0,1,0,0,0,0|3,0,0]=4 854 B11R1.77 NC(=O)C[C@H](N)c1ccoc1 Amb26649373 [0,1,0,0,0,0|3,0,0]=4 855 B11R1.77 NC(=O)C[C@H](N)c1ccsc1 Amb24653277 [0,1,0,0,0,0|3,0,0]=4 856 B11R1.77 NC(=O)C[C@H](N)c1cncs1 Amb25100556 [0,1,0,0,0,0|2,0,1]=4 857 B11R1.77 NC(=O)C[C@H](N)c1cscn1 Amb24488370 [0,1,0,0,0,0|2,0,0]=3 858 B11R1.77 NC(=O)C[C@H](N)c1csnn1 Amb25789110 [0,1,0,0,0,0|3,0,0]=4 859 B11R1.77 NC(=O)C[C@H](N)c1nccs1 Amb24488046 [0,1,0,0,0,0|3,0,0]=4 860 B11R1.77 NC(CC(=O)O)C1=CCCC1 Amb27959057 [0,1,0,0,0,0|2,0,1]=4 861 B11R1.77 NC(CC(=O)O)c1ccco1 Amb2583027 [0,1,0,0,0,0|2,0,0]=3 862 B11R1.77 NC(CC(=O)O)c1ccco1 Amb33295176 [0,1,0,0,0,0|2,0,0]=3 863 B11R1.77 NC(CC(=O)O)c1cccs1 Amb9730102 [0,1,0,0,0,0|2,0,0]=3 864 B11R1.77 NC(CC(=O)O)c1ccns1 Amb33255049 [0,1,0,0,0,0|2,0,1]=4 865 B11R1.77 NC(CC(=O)O)c1ccoc1 Amb4053070 [0,1,0,0,0,0|2,0,0]=3 866 B11R1.77 NC(CC(=O)O)c1ccon1 Amb33226169 [0,1,0,0,0,0|2,0,0]=3 867 B11R1.77 NC(CC(=O)O)c1ccsc1 Amb9730099 [0,1,0,0,0,0|2,0,0]=3 868 B11R1.77 NC(CC(=O)O)c1cnco1 Amb33226498 [0,1,0,0,0,0|1,0,1]=3 869 B11R1.77 NC(CC(=O)O)c1cncs1 Amb26399102 [0,1,0,0,0,0|1,0,1]=3 870 B11R1.77 NC(CC(=O)O)c1cnsc1 Amb33255325 [0,1,0,0,0,0|2,0,1]=4 871 B11R1.77 NC(CC(=O)O)c1cscn1 Amb25920675 [0,1,0,0,0,0|1,0,0]=2 872 B11R1.77 NC(CC(=O)O)c1csnn1 Amb26954586 [0,1,0,0,0,0|2,0,0]=3 873 B11R1.77 NC(CC(=O)O)c1nccs1 Amb27590282 [0,1,0,0,0,0|2,0,0]=3 874 B11R1.77 NC(CC(=O)O)c1nccs1 Amb33330769 [0,1,0,0,0,0|2,0,0]=3 875 B11R1.77 N[C@@H](CC(=O)O)c1ccco1 Amb18179572 [0,1,0,0,0,0|2,0,0]=3 876 B11R1.77 N[C@@H](CC(=O)O)c1cccs1 Amb18180320 [0,1,0,0,0,0|2,0,0]=3 877 B11R1.77 N[C@@H](CC(=O)O)c1ccns1 Amb32787956 [0,1,0,0,0,0|2,0,1]=4 878 B11R1.77 N[C@@H](CC(=O)O)c1ccoc1 Amb25058814 [0,1,0,0,0,0|2,0,0]=3 879 B11R1.77 N[C@@H](CC(=O)O)c1ccsc1 Amb18180319 [0,1,0,0,0,0|2,0,0]=3 880 B11R1.77 N[C@@H](CC(=O)O)c1cncs1 Amb27453232 [0,1,0,0,0,0|1,0,1]=3 881 B11R1.77 N[C@@H](CC(=O)O)c1cnsc1 Amb33254126 [0,1,0,0,0,0|2,0,1]=4 882 B11R1.77 N[C@@H](CC(=O)O)c1cscn1 Amb25861492 [0,1,0,0,0,0|1,0,0]=2 883 B11R1.77 N[C@@H](CC(=O)O)c1csnn1 Amb26363909 [0,1,0,0,0,0|2,0,0]=3 884 B11R1.77 N[C@@H](CC(=O)O)c1nccs1 Amb26432557 [0,1,0,0,0,0|2,0,0]=3 885 B11R1.77 N[C@H](CC(=O)O)c1ccco1 Amb25319193 [0,1,0,0,0,0|2,0,0]=3 886 B11R1.77 N[C@H](CC(=O)O)c1cccs1 Amb26888722 [0,1,0,0,0,0|2,0,0]=3 887 B11R1.77 N[C@H](CC(=O)O)c1ccns1 Amb29856235 [0,1,0,0,0,0|2,0,1]=4 888 B11R1.77 N[C@H](CC(=O)O)c1ccoc1 Amb27617385 [0,1,0,0,0,0|2,0,0]=3 889 B11R1.77 N[C@H](CC(=O)O)c1ccsc1 Amb26483854 [0,1,0,0,0,0|2,0,0]=3 890 B11R1.77 N[C@H](CC(=O)O)c1cncs1 Amb27257101 [0,1,0,0,0,0|1,0,1]=3 891 B11R1.77 N[C@H](CC(=O)O)c1cnsc1 Amb33255225 [0,1,0,0,0,0|2,0,1]=4 892 B11R1.77 N[C@H](CC(=O)O)c1cscn1 Amb27591355 [0,1,0,0,0,0|1,0,0]=2 893 B11R1.77 N[C@H](CC(=O)O)c1csnn1 Amb27176662 [0,1,0,0,0,0|2,0,0]=3 894 B11R1.77 N[C@H](CC(=O)O)c1nccs1 Amb24739741 [0,1,0,0,0,0|2,0,0]=3 895 B11R1.77 O=C(O)CC(=O)c1ccco1 Amb18125632 [0,1,0,0,0,0|2,0,1]=4 896 B11R1.77 O=C(O)CC(O)c1ccco1 Amb17232169 [0,1,0,0,0,0|2,0,0]=3 897 B11R1.77 O=C(O)CC(O)c1cccs1 Amb17232866 [0,1,0,0,0,0|2,0,0]=3 898 B11R1.77 O=C(O)CC(O)c1ccns1 Amb33036206 [0,1,0,0,0,0|2,0,1]=4 899 B11R1.77 O=C(O)CC(O)c1ccoc1 Amb24485369 [0,1,0,0,0,0|2,0,0]=3 900 B11R1.77 O=C(O)CC(O)c1ccon1 Amb33198328 [0,1,0,0,0,0|2,0,0]=3 901 B11R1.77 O=C(O)CC(O)c1ccsc1 Amb18298148 [0,1,0,0,0,0|2,0,0]=3 902 B11R1.77 O=C(O)CC(O)c1cnco1 Amb18200045 [0,1,0,0,0,0|1,0,1]=3 903 B11R1.77 O=C(O)CC(O)c1cncs1 Amb18198065 [0,1,0,0,0,0|1,0,1]=3 904 B11R1.77 O=C(O)CC(O)c1cnsc1 Amb33036121 [0,1,0,0,0,0|2,0,1]=4 905 B11R1.77 O=C(O)CC(O)c1cscn1 Amb18198066 [0,1,0,0,0,0|1,0,0]=2 906 B11R1.77 O=C(O)CC(O)c1csnn1 Amb32954031 [0,1,0,0,0,0|2,0,0]=3 907 B11R1.77 O=C(O)CC(O)c1nccs1 Amb33358875 [0,1,0,0,0,0|2,0,0]=3 908 B11R1.77 O=C(O)C[C@@H](O)c1ccco1 Amb33360966 [0,1,0,0,0,0|2,0,0]=3 909 B11R1.77 O=C(O)C[C@@H](O)c1cccs1 Amb33360892 [0,1,0,0,0,0|2,0,0]=3 910 B11R1.77 O=C(O)C[C@@H](O)c1ccoc1 Amb33361227 [0,1,0,0,0,0|2,0,0]=3 911 B11R1.77 O=C(O)C[C@@H](O)c1ccon1 Amb33198326 [0,1,0,0,0,0|2,0,0]=3 912 B11R1.77 O=C(O)C[C@@H](O)c1ccsc1 Amb33428932 [0,1,0,0,0,0|2,0,0]=3 913 B11R1.77 O=C(O)C[C@@H](O)c1cnco1 Amb33414844 [0,1,0,0,0,0|1,0,1]=3 914 B11R1.77 O=C(O)C[C@@H](O)c1cncs1 Amb33269156 [0,1,0,0,0,0|1,0,1]=3 915 B11R1.77 O=C(O)C[C@@H](O)c1cscn1 Amb33418195 [0,1,0,0,0,0|1,0,0]=2 916 B11R1.77 O=C(O)C[C@@H](O)c1csnn1 Amb33322262 [0,1,0,0,0,0|2,0,0]=3 917 B11R1.77 O=C(O)C[C@@H](O)c1nccs1 Amb33311526 [0,1,0,0,0,0|2,0,0]=3 918 B11R1.77 O=C(O)C[C@H](O)c1ccco1 Amb33360969 [0,1,0,0,0,0|2,0,0]=3 919 B11R1.77 O=C(O)C[C@H](O)c1cccs1 Amb33360894 [0,1,0,0,0,0|2,0,0]=3 920 B11R1.77 O=C(O)C[C@H](O)c1ccoc1 Amb33361337 [0,1,0,0,0,0|2,0,0]=3 921 B11R1.77 O=C(O)C[C@H](O)c1ccon1 Amb33198327 [0,1,0,0,0,0|2,0,0]=3 922 B11R1.77 O=C(O)C[C@H](O)c1ccsc1 Amb33428934 [0,1,0,0,0,0|2,0,0]=3 923 B11R1.77 O=C(O)C[C@H](O)c1cnco1 Amb33414846 [0,1,0,0,0,0|1,0,1]=3 924 B11R1.77 O=C(O)C[C@H](O)c1cncs1 Amb33225059 [0,1,0,0,0,0|1,0,1]=3 925 B11R1.77 O=C(O)C[C@H](O)c1cscn1 Amb33418196 [0,1,0,0,0,0|1,0,0]=2 926 B11R1.77 O=C(O)C[C@H](O)c1csnn1 Amb33322263 [0,1,0,0,0,0|2,0,0]=3 927 B11R1.77 O=C(O)C[C@H](O)c1nccs1 Amb33311527 [0,1,0,0,0,0|2,0,0]=3 928 B11R1.90 CC(=O)CCN1C=CNC1=O Amb27851571 [0,1,0,0,0,0|3,0,0]=4 929 B11R1.90 CC(=O)CCc1cccn1C Amb26038750 [0,1,0,0,0,0|2,0,1]=4 930 B11R1.90 CC(=O)CCc1ccoc1C Amb26553050 [0,1,0,0,0,0|3,0,0]=4 931 B11R1.90 CC(=O)CCc1ccsc1C Amb27866001 [0,1,0,0,0,0|3,0,0]=4 932 B11R1.90 CC(=O)CCc1cncn1C Amb26048243 [0,1,0,0,0,0|1,0,2]=4 933 B11R1.90 CC(=O)CCc1cscc1C Amb33146520 [0,1,0,0,0,0|3,0,0]=4 934 B11R1.90 CC(=O)CCc1nccn1C Amb25691923 [0,1,0,0,0,0|3,0,0]=4 935 B11R1.90 CC(=O)CCc1ncnn1C Amb28064451 [0,1,0,0,0,0|2,0,1]=4 936 B11R1.90 CC(=O)CCc1nonc1C Amb27751783 [0,1,0,0,0,0|2,0,1]=4 937 B11R1.90 CC(=O)CCc1occc1C Amb26853347 [0,1,0,0,0,0|3,0,0]=4 938 B11R1.90 CC(=O)CCc1sccc1Br Amb25329410 [0,1,0,0,0,0|3,0,0]=4 939 B11R1.90 CC(=O)CCc1sccc1C Amb26320137 [0,1,0,0,0,0|3,0,0]=4 940 B11R1.90 CC(=O)CCc1sccc1Cl Amb25692710 [0,1,0,0,0,0|3,0,0]=4 941 B11R1.90 CC(=O)CCc1scnc1C Amb26936638 [0,1,0,0,0,0|2,0,1]=4 942 B11R1.90 CN1CCN=C1CCC(=O)O Amb18200191 [0,1,0,0,0,0|2,0,1]=4 943 B11R1.90 Cc1[nH+]ccn1CCC(=O)O Amb4269356 [0,1,0,0,0,0|2,0,1]=4 944 B11R1.90 Cc1ccnn1CCC(=O)O Amb1812057 [0,1,0,0,0,0|2,0,0]=3 945 B11R1.90 Cc1ccoc1CCC(=O)O Amb18200842 [0,1,0,0,0,0|2,0,0]=3 946 B11R1.90 Cc1ccoc1OCC(=O)O Amb33342797 [0,1,0,0,0,0|3,0,0]=4 947 B11R1.90 Cc1ccsc1CCC(=O)O Amb2592463 [0,1,0,0,0,0|2,0,0]=3 948 B11R1.90 Cc1ccsc1OCC(=O)O Amb33202602 [0,1,0,0,0,0|3,0,0]=4 949 B11R1.90 Cc1cncn1CCC(=O)O Amb9901687 [0,1,0,0,0,0|2,0,1]=4 950 B11R1.90 Cc1cnsc1CCC(=O)O Amb18198609 [0,1,0,0,0,0|2,0,1]=4 951 B11R1.90 Cc1cocc1CCC(=O)O Amb24628818 [0,1,0,0,0,0|2,0,0]=3 952 B11R1.90 Cc1conc1CCC(=O)O Amb33470271 [0,1,0,0,0,0|2,0,0]=3 953 B11R1.90 Cc1cscc1CCC(=O)O Amb33469921 [0,1,0,0,0,0|2,0,0]=3 954 B11R1.90 Cc1cscc1NCC(=O)O Amb27212872 [0,1,0,0,0,0|3,0,0]=4 955 B11R1.90 Cc1cscc1OCC(=O)O Amb33144802 [0,1,0,0,0,0|3,0,0]=4 956 B11R1.90 Cc1nccn1CCC(=O)O Amb1099401 [0,1,0,0,0,0|2,0,1]=4 957 B11R1.90 Cc1nccn1CCC(=O)O Amb1292944 [0,1,0,0,0,0|2,0,1]=4 958 B11R1.90 Cc1nccn1CCC(=O)O Amb8503293 [0,1,0,0,0,0|2,0,1]=4 959 B11R1.90 Cc1ncnn1CCC(=O)O Amb18254989 [0,1,0,0,0,0|1,0,1]=3 960 B11R1.90 Cc1ncoc1CCC(=O)O Amb18830918 [0,1,0,0,0,0|1,0,1]=3 961 B11R1.90 Cc1ncsc1CCC(=O)O Amb3941253 [0,1,0,0,0,0|1,0,1]=3 962 B11R1.90 Cc1ncsc1OCC(=O)O Amb33271215 [0,1,0,0,0,0|2,0,1]=4 963 B11R1.90 Cc1nnnn1CCC(=O)O Amb1098999 [0,1,0,0,0,0|2,0,1]=4 964 B11R1.90 Cc1nnsc1CCC(=O)O Amb28239590 [0,1,0,0,0,0|2,0,1]=4 965 B11R1.90 Cc1nocc1CCC(=O)O Amb18200518 [0,1,0,0,0,0|2,0,1]=4 966 B11R1.90 Cc1nonc1CCC(=O)O Amb18200254 [0,1,0,0,0,0|1,0,1]=3 967 B11R1.90 Cc1nonc1NCC(=O)O Amb27625714 [0,1,0,0,0,0|2,0,1]=4 968 B11R1.90 Cc1nsnc1CCC(=O)O Amb18825365 [0,1,0,0,0,0|1,0,1]=3 969 B11R1.90 Cc1occc1OCC(=O)O Amb33274283 [0,1,0,0,0,0|3,0,0]=4 970 B11R1.90 Cc1ocnc1CCC(=O)O Amb18200534 [0,1,0,0,0,0|1,0,0]=2 971 B11R1.90 Cc1oncc1CCC(=O)O Amb18200543 [0,1,0,0,0,0|2,0,1]=4 972 B11R1.90 Cc1onnc1CCC(=O)O Amb27791114 [0,1,0,0,0,0|2,0,0]=3 973 B11R1.90 Cc1sccc1CCC(=O)O Amb18198905 [0,1,0,0,0,0|2,0,0]=3 974 B11R1.90 Cc1sncc1CCC(=O)O Amb18825426 [0,1,0,0,0,0|2,0,1]=4 975 B11R1.90 Cn1cccc1CCC(=O)O Amb33531730 [0,1,0,0,0,0|1,0,1]=3 976 B11R1.90 Cn1cccc1NCC(=O)O Amb28320762 [0,1,0,0,0,0|2,0,1]=4 977 B11R1.90 Cn1cccc1OCC(=O)O Amb33203951 [0,1,0,0,0,0|2,0,1]=4 978 B11R1.90 Cn1ccnc1CCC(=O)O Amb2694658 [0,1,0,0,0,0|2,0,0]=3 979 B11R1.90 Cn1ccnc1CCC(=O)O Amb32992708 [0,1,0,0,0,0|2,0,0]=3 980 B11R1.90 Cn1ccnc1CCC(N)=O Amb33040730 [0,1,0,0,0,0|3,0,0]=4 981 B11R1.90 Cn1ccnc1OCC(=O)O Amb25316568 [0,1,0,0,0,0|3,0,0]=4 982 B11R1.90 Cn1ccnc1SCC(=O)O Amb1141996 [0,1,0,0,0,0|3,0,0]=4 983 B11R1.90 Cn1ccnc1SCC(=O)O Amb22757978 [0,1,0,0,0,0|3,0,0]=4 984 B11R1.90 Cn1cncc1CCC(=O)O Amb33551071 [0,1,0,0,0,0|0,0,2]=3 985 B11R1.90 Cn1cncc1CCC(N)=O Amb27973525 [0,1,0,0,0,0|1,0,2]=4 986 B11R1.90 Cn1cncc1OCC(=O)O Amb32882625 [0,1,0,0,0,0|1,0,2]=4 987 B11R1.90 Cn1cnnc1CCC(=O)O Amb10608042 [0,1,0,0,0,0|1,0,2]=4 988 B11R1.90 Cn1nccc1CCC(=O)O Amb6888350 [0,1,0,0,0,0|2,0,1]=4 989 B11R1.90 Cn1ncnc1CCC(=O)O Amb18995485 [0,1,0,0,0,0|1,0,1]=3 990 B11R1.90 Cn1nncc1CCC(=O)O Amb25075001 [0,1,0,0,0,0|1,0,2]=4 991 B11R1.90 Cn1nnnc1CCC(=O)O Amb24670084 [0,1,0,0,0,0|2,0,1]=4 992 B11R1.90 Nc1cncn1CCC(=O)O Amb27874034 [0,1,0,0,0,0|2,0,1]=4 993 B11R1.90 Nc1nccn1CCC(=O)O Amb4296895 [0,1,0,0,0,0|2,0,1]=4 994 B11R1.90 Nc1nonc1NCC(=O)O Amb24417065 [0,1,0,0,0,0|2,0,1]=4 995 B11R1.90 Nc1oncc1CCC(=O)O Amb27209688 [0,1,0,0,0,0|2,0,1]=4 996 B11R1.90 O=C(O)C#Cc1ncsc1Br Amb35602567 [0,1,0,0,0,0|1,0,2]=4 997 B11R1.90 O=C(O)CCC1=CCOC1=O Amb27596612 [0,1,0,0,0,0|2,0,1]=4 998 B11R1.90 O=C(O)CCC1=CONC1=O Amb27637001 [0,1,0,0,0,0|2,0,0]=3 999 B11R1.90 O=C(O)CCC1C=NNC1=O Amb27966307 [0,1,0,0,0,0|2,0,1]=4 1000 B11R1.90 O=C(O)CCC1N=CNC1=O Amb25028108 [0,1,0,0,0,0|0,0,1]=2 1001 B11R1.90 O=C(O)CCN1C=CSC1=S Amb27233662 [0,1,0,0,0,0|3,0,0]=4 1002 B11R1.90 O=C(O)CCN1C=NNC1=O Amb27823489 [0,1,0,0,0,0|3,0,0]=4 1003 B11R1.90 O=C(O)CCN1CCNC1=O Amb19002909 [0,1,0,0,0,0|2,0,1]=4 1004 B11R1.90 O=C(O)CCc1ccoc1Br Amb33470231 [0,1,0,0,0,0|2,0,0]=3 1005 B11R1.90 O=C(O)CCc1ccoc1Cl Amb33470229 [0,1,0,0,0,0|2,0,0]=3 1006 B11R1.90 O=C(O)CCc1ccsc1Br Amb27453855 [0,1,0,0,0,0|2,0,0]=3 1007 B11R1.90 O=C(O)CCc1cscc1Br Amb25826996 [0,1,0,0,0,0|2,0,0]=3 1008 B11R1.90 O=C(O)CCc1cscc1Cl Amb32713276 [0,1,0,0,0,0|2,0,0]=3 1009 B11R1.90 O=C(O)CCc1ncsc1Br Amb33470276 [0,1,0,0,0,0|1,0,0]=2 1010 B11R1.90 O=C(O)CCc1nscc1Br Amb33470272 [0,1,0,0,0,0|2,0,0]=3 1011 B11R1.90 O=C(O)CCc1occc1F Amb27823334 [0,1,0,0,0,0|2,0,0]=3 1012 B11R1.90 O=C(O)CCc1sccc1Br Amb18293479 [0,1,0,0,0,0|2,0,0]=3 1013 B11R1.90 O=C(O)CCc1sccc1Cl Amb28061379 [0,1,0,0,0,0|2,0,0]=3 1014 B11R1.90 O=C(O)CCc1sccc1F Amb33470227 [0,1,0,0,0,0|2,0,0]=3 1015 B11R1.90 O=C(O)CCc1sccc1I Amb33470233 [0,1,0,0,0,0|2,0,0]=3 1016 B11R1.90 O=C(O)CCc1scnc1Br Amb18732847 [0,1,0,0,0,0|1,0,1]=3 1017 B11R1.90 O=C(O)CCn1ccnc1Cl Amb32670220 [0,1,0,0,0,0|2,0,1]=4 1018 B11R1.90 O=C(O)CCn1ccnc1O Amb18200269 [0,1,0,0,0,0|2,0,1]=4 1019 B11R1.90 O=C(O)CCn1ccnc1S Amb18825367 [0,1,0,0,0,0|2,0,1]=4 1020 B11R1.90 O=C(O)CCn1nccc1Br Amb24269226 [0,1,0,0,0,0|2,0,0]=3 1021 B11R1.90 O=C(O)CCn1nccc1I Amb24269233 [0,1,0,0,0,0|2,0,0]=3 1022 B11R1.90 O=C(O)CCn1ncnc1Br Amb24269224 [0,1,0,0,0,0|1,0,1]=3 1023 B11R1.90 O=C(O)CCn1ncnc1Cl Amb24269227 [0,1,0,0,0,0|1,0,1]=3 1024 B11R1.90 O=C(O)CCn1nnnc1S Amb18127167 [0,1,0,0,0,0|2,0,1]=4 1025 B11R1.90 O=C(O)CNc1ccsc1Cl Amb27424525 [0,1,0,0,0,0|3,0,0]=4 1026 B11R1.90 O=C(O)COc1ccsc1Cl Amb18651352 [0,1,0,0,0,0|3,0,0]=4 1027 B11R1.90 O=C(O)COc1sccc1Br Amb33387946 [0,1,0,0,0,0|3,0,0]=4 1028 B11R1.90 O=C(O)COc1sccc1Cl Amb32747667 [0,1,0,0,0,0|3,0,0]=4 1029 B11R1.90 O=C(O)\C=C\c1ncsc1Br Amb33470114 [0,1,0,0,0,0|1,0,2]=4 1030 B11R1.510 O=S(=O)(F)CCc1cscn1 Amb33056312 [0,1,0,0,0,0|2,0,1]=4 1031 B11R1.510 O=S(=O)(O)CCc1cscn1 Amb27984454 [0,1,0,0,0,0|2,0,0]=3 1032 B9R0.2 C=CC\C=C\CCC(=O)O Amb18643540 [0,0,1,0,0,0|2,0,0]=3 1033 B9R0.2 CCC\C=C/CCC(=O)O Amb26566880 [0,0,1,0,0,0|2,0,1]=4 1034 B9R0.2 CCC\C=C\CCC(=O)O Amb25378821 [0,0,1,0,0,0|2,0,1]=4 1035 B9R0.2 C\C=C\C=C\CCC(=O)O Amb18643576 [0,0,1,0,0,0|2,0,0]=3 1036 B9R0.2 O=C(O)CC\C=C\C#CBr Amb28198028 [0,0,1,0,0,0|2,0,1]=4 1037 B9R0.43 C=CC(C=C)=CCC(=O)O Amb28050147 [0,0,1,0,0,0|2,0,1]=4 1038 B9R0.43 CC\C(CCC(=O)O)=N/O Amb27459310 [0,0,1,0,0,0|2,0,1]=4 1039 B9R0.43 N#C\C(CCC(=O)O)=N/O Amb27259756 [0,0,1,0,0,0|1,0,2]=4 1040 B9R0.48 C=C(CCC)CCC(=O)O Amb27475552 [0,0,1,0,0,0|2,0,1]=4 1041 B9R0.48 C=C=C[C@H](N)CCC(=O)O Amb27391437 [0,0,1,0,0,0|1,0,2]=4 1042 B9R0.48 C=CNC(=O)CCC(=O)O Amb24505247 [0,0,1,0,0,0|2,0,1]=4 1043 B9R0.48 CC\C=C(/C)CCC(=O)O Amb27832037 [0,0,1,0,0,0|2,0,1]=4 1044 B9R0.48 CC\C=C(\C)CCC(=O)O Amb27811548 [0,0,1,0,0,0|2,0,1]=4 1045 B9R0.48 CNOC(=O)CCC(=O)O Amb28126710 [0,0,1,0,0,0|2,0,1]=4 1046 B9R0.48 C\C(=C/CO)CCC(=O)O Amb27630663 [0,0,1,0,0,0|3,0,0]=4 1047 B9R0.48 C\C=N\C(=O)CCC(=O)O Amb27217285 [0,0,1,0,0,0|2,0,0]=3 1048 B9R0.48 N#C\C=C(/N)CCC(=O)O Amb24053667 [0,0,1,0,0,0|2,0,1]=4 1049 B9R0.48 NCNC(=O)CCC(=O)O Amb27753445 [0,0,1,0,0,0|1,0,2]=4 1050 B9R0.48 O=CCC(=O)CCC(=O)O Amb18644074 [0,0,1,0,0,0|3,0,0]=4 1051 B11R2.11 O=C1CC(c2ccco2)N1 Amb27230866 [0,0,0,1,0,0|3,0,0]=4 1052 B11R2.11 O=C1CC(c2cccs2)N1 Amb25185121 [0,0,0,1,0,0|3,0,0]=4 1053 B11R2.11 O=C1CC(c2ccoc2)N1 Amb27175356 [0,0,0,1,0,0|3,0,0]=4 1054 B11R2.11 O=C1CC(c2ccsc2)C1 Amb27396314 [0,0,0,1,0,0|3,0,0]=4 1055 B11R2.11 O=C1CC(c2ccsc2)N1 Amb24376718 [0,0,0,1,0,0|3,0,0]=4 1056 B11R2.11 O=C1CC(c2cncs2)N1 Amb27204951 [0,0,0,1,0,0|2,0,1]=4 1057 B11R2.11 O=C1CC(c2csnn2)N1 Amb27433311 [0,0,0,1,0,0|3,0,0]=4 1058 B11R2.11 O=C1CC(n2cccn2)C1 Amb25199247 [0,0,0,1,0,0|3,0,0]=4 1059 B11R2.11 O=C1C[C@H](c2cccs2)N1 Amb28397156 [0,0,0,1,0,0|3,0,0]=4 1060 B11R2.36 O=C1CCc2ccsc2C1 Amb24707052 [0,0,0,1,0,0|3,0,0]=4 1061 B11R2.36 O=C1CCc2cscc2C1 Amb25145556 [0,0,0,1,0,0|3,0,0]=4 1062 B11R2.36 O=C1CCc2nccn2C1 Amb27787676 [0,0,0,1,0,0|3,0,0]=4 1063 B11R2.36 O=C1CCc2ncoc2C1 Amb27851704 [0,0,0,1,0,0|2,0,0]=3 1064 B11R2.36 O=C1CCc2sccc2C1 Amb28288918 [0,0,0,1,0,0|3,0,0]=4 1065 B11R2.36 O=C1CCc2scnc2C1 Amb24694323 [0,0,0,1,0,0|2,0,1]=4 1066 B11R2.36 O=C1CCn2nccc2N1 Amb20481135 [0,0,0,1,0,0|3,0,0]=4 1067 B11R2.36 O=C1CCn2ncnc2N1 Amb23594530 [0,0,0,1,0,0|2,0,1]=4 1068 B9R1.13 CC(=O)Cc1ccco1 Amb5751052 [0,0,0,0,1,0|3,0,0]=4 1069 B9R1.13 CC(=O)Cc1cccs1 Amb3429447 [0,0,0,0,1,0|3,0,0]=4 1070 B9R1.13 CC(=O)Cc1ccoc1 Amb25713513 [0,0,0,0,1,0|3,0,0]=4 1071 B9R1.13 CC(=O)Cc1ccon1 Amb33080144 [0,0,0,0,1,0|3,0,0]=4 1072 B9R1.13 CC(=O)Cc1ccsc1 Amb6744886 [0,0,0,0,1,0|3,0,0]=4 1073 B9R1.13 CC(=O)Cc1cnco1 Amb33416893 [0,0,0,0,1,0|2,0,1]=4 1074 B9R1.13 CC(=O)Cc1cncs1 Amb25887376 [0,0,0,0,1,0|2,0,1]=4 1075 B9R1.13 CC(=O)Cc1cnsn1 Amb27475330 [0,0,0,0,1,0|2,0,1]=4 1076 B9R1.13 CC(=O)Cc1conn1 Amb27267147 [0,0,0,0,1,0|3,0,0]=4 1077 B9R1.13 CC(=O)Cc1cscn1 Amb26967074 [0,0,0,0,1,0|2,0,0]=3 1078 B9R1.13 CC(=O)Cc1csnn1 Amb28120384 [0,0,0,0,1,0|3,0,0]=4 1079 B9R1.13 CC(=O)Cc1nccs1 Amb6297701 [0,0,0,0,1,0|3,0,0]=4 1080 B9R1.13 CC(=O)Cc1ncon1 Amb25758852 [0,0,0,0,1,0|3,0,0]=4 1081 B9R1.13 CC(=O)Cc1ncsn1 Amb18202586 [0,0,0,0,1,0|3,0,0]=4 1082 B9R1.13 CC(=O)Cn1cccn1 Amb1092543 [0,0,0,0,1,0|3,0,0]=4 1083 B9R1.13 CC(=O)Cn1cccn1 Amb21988437 [0,0,0,0,1,0|3,0,0]=4 1084 B9R1.13 CC(=O)Cn1cncn1 Amb22284176 [0,0,0,0,1,0|2,0,1]=4 1085 B9R1.13 CC(=O)Cn1cncn1 Amb33534624 [0,0,0,0,1,0|2,0,1]=4 1086 B9R1.13 CC(=O)Nc1cscn1 Amb6298641 [0,0,0,0,1,0|3,0,0]=4 1087 B9R1.13 CC(O)Cc1cscn1 Amb26631803 [0,0,0,0,1,0|2,0,1]=4 1088 B9R1.13 CN(O)Cc1cscn1 Amb33319116 [0,0,0,0,1,0|3,0,0]=4 1089 B9R1.13 C[C@@H](O)Cc1cscn1 Amb33418095 [0,0,0,0,1,0|2,0,1]=4 1090 B9R1.13 C[C@H](O)Cc1cscn1 Amb33418100 [0,0,0,0,1,0|2,0,1]=4 1091 B9R1.13 N=C(N)Cc1cscn1 Amb25846372 [0,0,0,0,1,0|3,0,0]=4 1092 B9R1.13 NC(=O)Cc1cccs1 Amb3620365 [0,0,0,0,1,0|3,0,0]=4 1093 B9R1.13 NC(=O)Cc1ccoc1 Amb28186970 [0,0,0,0,1,0|3,0,0]=4 1094 B9R1.13 NC(=O)Cc1ccsc1 Amb33545701 [0,0,0,0,1,0|3,0,0]=4 1095 B9R1.13 NC(=O)Cc1ccsn1 Amb27460712 [0,0,0,0,1,0|3,0,0]=4 1096 B9R1.13 NC(=O)Cc1cncs1 Amb22372056 [0,0,0,0,1,0|2,0,1]=4 1097 B9R1.13 NC(=O)Cc1cscn1 Amb2610764 [0,0,0,0,1,0|2,0,0]=3 1098 B9R1.13 NC(=O)Cn1cccn1 Amb10609663 [0,0,0,0,1,0|3,0,0]=4 1099 B9R1.13 NC(=S)Cc1cscn1 Amb19148544 [0,0,0,0,1,0|2,1,0]=4 1100 B9R1.13 O=C(Cl)Cc1ccco1 Amb25124003 [0,0,0,0,1,0|3,0,0]=4 1101 B9R1.13 O=C(Cl)Cc1cccs1 Amb535730 [0,0,0,0,1,0|3,0,0]=4 1102 B9R1.13 O=C(Cl)Cc1ccoc1 Amb27634134 [0,0,0,0,1,0|3,0,0]=4 1103 B9R1.13 O=C(Cl)Cc1ccsc1 Amb2690604 [0,0,0,0,1,0|3,0,0]=4 1104 B9R1.13 O=C(O)CC1=CC=CC1 Amb28370362 [0,0,0,0,1,0|2,0,0]=3 1105 B9R1.13 O=C(O)CC1=CCC=C1 Amb27945563 [0,0,0,0,1,0|2,0,0]=3 1106 B9R1.13 O=C(O)CC1=CCCC1 Amb18642404 [0,0,0,0,1,0|2,0,1]=4 1107 B9R1.13 O=C(O)CC1=NCCN1 Amb28256209 [0,0,0,0,1,0|2,0,1]=4 1108 B9R1.13 O=C(O)CC1=NCCS1 Amb8009921 [0,0,0,0,1,0|2,0,1]=4 1109 B9R1.13 O=C(O)C[n+]1ccsc1 Amb2612041 [0,0,0,0,1,0|3,0,0]=4 1110 B9R1.13 O=C(O)Cc1ccco1 Amb2792725 [0,0,0,0,1,0|2,0,0]=3 1111 B9R1.13 O=C(O)Cc1cccs1 Amb6335251 [0,0,0,0,1,0|2,0,0]=3 1112 B9R1.13 O=C(O)Cc1ccno1 Amb8009410 [0,0,0,0,1,0|2,0,1]=4 1113 B9R1.13 O=C(O)Cc1ccns1 Amb18831590 [0,0,0,0,1,0|2,0,1]=4 1114 B9R1.13 O=C(O)Cc1ccoc1 Amb2611514 [0,0,0,0,1,0|2,0,0]=3 1115 B9R1.13 O=C(O)Cc1ccon1 Amb8009412 [0,0,0,0,1,0|2,0,0]=3 1116 B9R1.13 O=C(O)Cc1ccsc1 Amb1151879 [0,0,0,0,1,0|2,0,0]=3 1117 B9R1.13 O=C(O)Cc1ccsn1 Amb18831591 [0,0,0,0,1,0|2,0,0]=3 1118 B9R1.13 O=C(O)Cc1cnco1 Amb8009409 [0,0,0,0,1,0|1,0,1]=3 1119 B9R1.13 O=C(O)Cc1cncs1 Amb3319218 [0,0,0,0,1,0|1,0,1]=3 1120 B9R1.13 O=C(O)Cc1cnns1 Amb26029960 [0,0,0,0,1,0|2,0,1]=4 1121 B9R1.13 O=C(O)Cc1cnoc1 Amb8009411 [0,0,0,0,1,0|2,0,1]=4 1122 B9R1.13 O=C(O)Cc1cnon1 Amb18832655 [0,0,0,0,1,0|1,0,1]=3 1123 B9R1.13 O=C(O)Cc1cnsc1 Amb18831589 [0,0,0,0,1,0|2,0,1]=4 1124 B9R1.13 O=C(O)Cc1cnsn1 Amb27822824 [0,0,0,0,1,0|1,0,1]=3 1125 B9R1.13 O=C(O)Cc1cocn1 Amb8009408 [0,0,0,0,1,0|1,0,0]=2 1126 B9R1.13 O=C(O)Cc1cscn1 Amb17039671 [0,0,0,0,1,0|1,0,0]=2 1127 B9R1.13 O=C(O)Cc1cscn1 Amb33537693 [0,0,0,0,1,0|1,0,0]=2 1128 B9R1.13 O=C(O)Cc1csnn1 Amb26926422 [0,0,0,0,1,0|2,0,0]=3 1129 B9R1.13 O=C(O)Cc1ncco1 Amb8009407 [0,0,0,0,1,0|2,0,0]=3 1130 B9R1.13 O=C(O)Cc1nccs1 Amb9533133 [0,0,0,0,1,0|2,0,0]=3 1131 B9R1.13 O=C(O)Cc1ncns1 Amb18831517 [0,0,0,0,1,0|1,0,1]=3 1132 B9R1.13 O=C(O)Cc1ncsn1 Amb18202411 [0,0,0,0,1,0|2,0,0]=3 1133 B9R1.13 O=C(O)Cc1nnco1 Amb22753920 [0,0,0,0,1,0|2,0,1]=4 1134 B9R1.13 O=C(O)Cc1nncs1 Amb27162471 [0,0,0,0,1,0|2,0,1]=4 1135 B9R1.13 O=C(O)Cn1cccc1 Amb1124868 [0,0,0,0,1,0|3,0,0]=4 1136 B9R1.13 O=C(O)Cn1cccn1 Amb1157167 [0,0,0,0,1,0|2,0,0]=3 1137 B9R1.13 O=C(O)Cn1ccnc1 Amb6336152 [0,0,0,0,1,0|2,0,1]=4 1138 B9R1.13 O=C(O)Cn1ccnc1 Amb7969660 [0,0,0,0,1,0|2,0,1]=4 1139 B9R1.13 O=C(O)Cn1ccnn1 Amb10669511 [0,0,0,0,1,0|3,0,0]=4 1140 B9R1.13 O=C(O)Cn1ccnn1 Amb8388021 [0,0,0,0,1,0|3,0,0]=4 1141 B9R1.13 O=C(O)Cn1cncn1 Amb10552411 [0,0,0,0,1,0|1,0,1]=3 1142 B9R1.13 O=C(O)Cn1cncn1 Amb1152056 [0,0,0,0,1,0|1,0,1]=3 1143 B9R1.13 O=C(O)Cn1cnnn1 Amb1090115 [0,0,0,0,1,0|2,0,1]=4 1144 B9R1.13 O=C(O)Cn1nccn1 Amb8010901 [0,0,0,0,1,0|3,0,0]=4 1145 B9R1.13 O=C(O)Cn1ncnn1 Amb15701228 [0,0,0,0,1,0|2,0,1]=4 1146 B9R1.13 O=C([O-])Cc1ccoc1 Amb8439404 [0,0,0,0,1,0|2,0,1]=4 1147 B9R1.13 O=C([O-])Cc1cnco1 Amb33621239 [0,0,0,0,1,0|1,0,2]=4 1148 B9R1.13 O=C([O-])Cc1cnsn1 Amb33483598 [0,0,0,0,1,0|1,0,2]=4 1149 B9R1.13 O=C([O-])Cc1nccs1 Amb32648040 [0,0,0,0,1,0|2,0,1]=4 1150 B9R1.13 O=C([O-])Cn1cncn1 Amb432023 [0,0,0,0,1,0|1,0,2]=4 1151 B9R1.13 O=C([OH2+])Cn1cccn1 Amb10552495 [0,0,0,0,1,0|2,0,1]=4 1152 B9R1.13 O=[N+]([O-])Cc1cscn1 Amb33417851 [0,0,0,0,1,0|2,0,1]=4 1153 B9R1.13 OC(=S)Cc1cccs1 Amb2611516 [0,0,0,0,1,0|2,1,0]=4 1154 B9R1.84 O=C(O)CC[C@@H]1CCN1 Amb27439305 [0,0,0,0,1,0|1,0,2]=4 1155 B11R1.91 CC(=O)CCc1ccccc1 Amb4605983 [0,0,0,0,0,1|3,0,0]=4 1156 B11R1.91 CC(=O)CCc1ccccn1 Amb17507163 [0,0,0,0,0,1|2,0,0]=3 1157 B11R1.91 CC(=O)CCc1cccnc1 Amb17507164 [0,0,0,0,0,1|2,0,0]=3 1158 B11R1.91 CC(=O)CCc1ccncc1 Amb17507165 [0,0,0,0,0,1|2,0,1]=4 1159 B11R1.91 CC(=O)CCc1ccncc1 Amb33329478 [0,0,0,0,0,1|2,0,1]=4 1160 B11R1.91 CC(=O)CCc1ccncn1 Amb27399166 [0,0,0,0,0,1|1,0,1]=3 1161 B11R1.91 CC(=O)CCc1cnccn1 Amb25307907 [0,0,0,0,0,1|1,0,1]=3 1162 B11R1.91 CC(=O)CCc1cncnc1 Amb28285350 [0,0,0,0,0,1|1,0,1]=3 1163 B11R1.91 CC(=O)CCc1ncccn1 Amb24726140 [0,0,0,0,0,1|2,0,0]=3 1164 B11R1.91 CC(=O)CNc1ccccn1 Amb26542003 [0,0,0,0,0,1|3,0,0]=4 1165 B11R1.91 CC(=O)COc1ccccn1 Amb26557634 [0,0,0,0,0,1|3,0,0]=4 1166 B11R1.91 CC(=O)CSc1ccccn1 Amb9215975 [0,0,0,0,0,1|3,0,0]=4 1167 B11R1.91 CC(=O)CSc1cccnc1 Amb28351579 [0,0,0,0,0,1|3,0,0]=4 1168 B11R1.91 CC(=O)CSc1ncccn1 Amb9268712 [0,0,0,0,0,1|3,0,0]=4 1169 B11R1.91 CC(=O)NCc1ccccn1 Amb3358089 [0,0,0,0,0,1|3,0,0]=4 1170 B11R1.91 CC(=O)NCc1ccccn1 Amb6892496 [0,0,0,0,0,1|3,0,0]=4 1171 B11R1.91 CC(=O)NCc1cccnn1 Amb26956190 [0,0,0,0,0,1|3,0,0]=4 1172 B11R1.91 CC(=O)NCc1cncnc1 Amb22727960 [0,0,0,0,0,1|2,0,1]=4 1173 B11R1.91 CC(=O)OCc1ccccn1 Amb9780355 [0,0,0,0,0,1|3,0,0]=4 1174 B11R1.91 CC(=O)OCc1cccnc1 Amb8388631 [0,0,0,0,0,1|3,0,0]=4 1175 B11R1.91 CC(=O)OCc1ncccn1 Amb22756932 [0,0,0,0,0,1|3,0,0]=4 1176 B11R1.91 CC(O)CCc1ccccn1 Amb17507263 [0,0,0,0,0,1|2,0,1]=4 1177 B11R1.91 CC(O)CCc1cccnc1 Amb17507264 [0,0,0,0,0,1|2,0,1]=4 1178 B11R1.91 CC(O)CCc1ccncn1 Amb27153327 [0,0,0,0,0,1|1,0,2]=4 1179 B11R1.91 CC(O)CCc1cnccn1 Amb26539825 [0,0,0,0,0,1|1,0,2]=4 1180 B11R1.91 CC(O)CCc1cncnc1 Amb27799657 [0,0,0,0,0,1|1,0,2]=4 1181 B11R1.91 CC(O)CCc1ncccn1 Amb27656314 [0,0,0,0,0,1|2,0,1]=4 1182 B11R1.91 C[C@@H](O)CCc1ccccn1 Amb33360774 [0,0,0,0,0,1|2,0,1]=4 1183 B11R1.91 C[C@@H](O)CCc1cccnc1 Amb33360059 [0,0,0,0,0,1|2,0,1]=4 1184 B11R1.91 C[C@@H](O)CCc1ccncn1 Amb33268597 [0,0,0,0,0,1|1,0,2]=4 1185 B11R1.91 C[C@@H](O)CCc1cnccn1 Amb33359978 [0,0,0,0,0,1|1,0,2]=4 1186 B11R1.91 C[C@@H](O)CCc1cncnc1 Amb33149182 [0,0,0,0,0,1|1,0,2]=4 1187 B11R1.91 C[C@@H](O)CCc1ncccn1 Amb33270396 [0,0,0,0,0,1|2,0,1]=4 1188 B11R1.91 C[C@H](O)CCc1ccccn1 Amb33360775 [0,0,0,0,0,1|2,0,1]=4 1189 B11R1.91 C[C@H](O)CCc1cccnc1 Amb33360413 [0,0,0,0,0,1|2,0,1]=4 1190 B11R1.91 C[C@H](O)CCc1ccncn1 Amb33268662 [0,0,0,0,0,1|1,0,2]=4 1191 B11R1.91 C[C@H](O)CCc1cnccn1 Amb33359979 [0,0,0,0,0,1|1,0,2]=4 1192 B11R1.91 C[C@H](O)CCc1cncnc1 Amb33149415 [0,0,0,0,0,1|1,0,2]=4 1193 B11R1.91 C[C@H](O)CCc1ncccn1 Amb33270794 [0,0,0,0,0,1|2,0,1]=4 1194 B11R1.91 N=C(N)CCc1cccnc1 Amb2700054 [0,0,0,0,0,1|3,0,0]=4 1195 B11R1.91 N=C(N)CCc1cnccn1 Amb29850674 [0,0,0,0,0,1|2,0,1]=4 1196 B11R1.91 NC(=O)CCC1=CCNCC1 Amb27445703 [0,0,0,0,0,1|2,0,1]=4 1197 B11R1.91 NC(=O)CCc1ccccc1 Amb2708677 [0,0,0,0,0,1|3,0,0]=4 1198 B11R1.91 NC(=O)CCc1ccccn1 Amb17399914 [0,0,0,0,0,1|2,0,0]=3 1199 B11R1.91 NC(=O)CCc1ccncc1 Amb10553007 [0,0,0,0,0,1|2,0,1]=4 1200 B11R1.91 NC(=O)CCc1ccncn1 Amb27231725 [0,0,0,0,0,1|1,0,1]=3 1201 B11R1.91 NC(=O)CNc1ccccn1 Amb6658788 [0,0,0,0,0,1|3,0,0]=4 1202 B11R1.91 NC(=O)CNc1cccnc1 Amb27482670 [0,0,0,0,0,1|3,0,0]=4 1203 B11R1.91 NC(=O)CNc1cccnn1 Amb18298645 [0,0,0,0,0,1|3,0,0]=4 1204 B11R1.91 NC(=O)CNc1ccncn1 Amb18973884 [0,0,0,0,0,1|2,0,1]=4 1205 B11R1.91 NC(=O)COc1ccccn1 Amb27878790 [0,0,0,0,0,1|3,0,0]=4 1206 B11R1.91 NC(=O)COc1cccnc1 Amb6739850 [0,0,0,0,0,1|3,0,0]=4 1207 B11R1.91 NC(=O)COc1ncccn1 Amb26499423 [0,0,0,0,0,1|3,0,0]=4 1208 B11R1.91 NC(=O)CSc1ccccn1 Amb1292665 [0,0,0,0,0,1|3,0,0]=4 1209 B11R1.91 NC(=O)CSc1ccncn1 Amb27655310 [0,0,0,0,0,1|2,0,1]=4 1210 B11R1.91 NC(=O)CSc1cnccn1 Amb27452199 [0,0,0,0,0,1|2,0,1]=4 1211 B11R1.91 NC(=O)CSc1ncccn1 Amb4330206 [0,0,0,0,0,1|3,0,0]=4 1212 B11R1.91 NC(=O)NCc1ccccn1 Amb1050832 [0,0,0,0,0,1|3,0,0]=4 1213 B11R1.91 NC(=O)NCc1cccnc1 Amb2435041 [0,0,0,0,0,1|3,0,0]=4 1214 B11R1.91 NC(=O)NCc1cccnn1 Amb28284968 [0,0,0,0,0,1|3,0,0]=4 1215 B11R1.91 NC(=O)NCc1cnccn1 Amb35654788 [0,0,0,0,0,1|2,0,1]=4 1216 B11R1.91 NC(=O)OCc1cccnc1 Amb26464124 [0,0,0,0,0,1|3,0,0]=4 1217 B11R1.91 NC(=O)SCc1ccccn1 Amb28145815 [0,0,0,0,0,1|3,0,0]=4 1218 B11R1.91 NC(=S)CCc1ccccn1 Amb6752547 [0,0,0,0,0,1|2,1,0]=4 1219 B11R1.91 NC(=S)CCc1cnccn1 Amb35687715 [0,0,0,0,0,1|1,1,1]=4 1220 B11R1.91 O=C(Cl)CCc1ccccc1 Amb2725506 [0,0,0,0,0,1|3,0,0]=4 1221 B11R1.91 O=C(Cl)CCc1ccccn1 Amb2696649 [0,0,0,0,0,1|2,0,0]=3 1222 B11R1.91 O=C(Cl)CCc1cccnc1 Amb24077445 [0,0,0,0,0,1|2,0,0]=3 1223 B11R1.91 O=C(Cl)CSc1ccccn1 Amb19650937 [0,0,0,0,0,1|3,0,0]=4 1224 B11R1.91 O=C(Cl)CSc1ncccn1 Amb27849194 [0,0,0,0,0,1|3,0,0]=4 1225 B11R1.91 O=C(Cl)OCc1ccccn1 Amb33297000 [0,0,0,0,0,1|3,0,0]=4 1226 B11R1.91 O=C(Cl)OCc1cccnc1 Amb25852784 [0,0,0,0,0,1|3,0,0]=4 1227 B11R1.91 O=C(Cl)OCc1cccnc1 Amb33465543 [0,0,0,0,0,1|3,0,0]=4 1228 B11R1.91 O=C(Cl)OCc1cnccn1 Amb33297299 [0,0,0,0,0,1|2,0,1]=4 1229 B11R1.91 O=C(O)C#Cc1ccccn1 Amb16233314 [0,0,0,0,0,1|1,0,2]=4 1230 B11R1.91 O=C(O)C#Cc1cccnc1 Amb20673066 [0,0,0,0,0,1|1,0,2]=4 1231 B11R1.91 O=C(O)C#Cc1cccnn1 Amb33169005 [0,0,0,0,0,1|1,0,2]=4 1232 B11R1.91 O=C(O)C#Cc1ccncn1 Amb26901679 [0,0,0,0,0,1|0,0,3]=4 1233 B11R1.91 O=C(O)C#Cc1cnccn1 Amb25315912 [0,0,0,0,0,1|0,0,3]=4 1234 B11R1.91 O=C(O)C#Cc1cncnc1 Amb27245801 [0,0,0,0,0,1|0,0,3]=4 1235 B11R1.91 O=C(O)C#Cc1ncccn1 Amb33169013 [0,0,0,0,0,1|1,0,2]=4 1236 B11R1.91 O=C(O)CCC1=CCCCC1 Amb25775024 [0,0,0,0,0,1|2,0,1]=4 1237 B11R1.91 O=C(O)CCC1=CCCCO1 Amb27642956 [0,0,0,0,0,1|2,0,1]=4 1238 B11R1.91 O=C(O)CCC1=COCCC1 Amb33416024 [0,0,0,0,0,1|2,0,1]=4 1239 B11R1.91 O=C(O)CCC1=NCCCN1 Amb25148116 [0,0,0,0,0,1|1,0,2]=4 1240 B11R1.91 O=C(O)CCC1=NCCCN1 Amb33329359 [0,0,0,0,0,1|1,0,2]=4 1241 B11R1.91 O=C(O)CC[n+]1ccccc1 Amb31127608 [0,0,0,0,0,1|3,0,0]=4 1242 B11R1.91 O=C(O)CCc1ccccc1 Amb6356505 [0,0,0,0,0,1|2,0,0]=3 1243 B11R1.91 O=C(O)CCc1ccccn1 Amb2696647 [0,0,0,0,0,1|1,0,0]=2 1244 B11R1.91 O=C(O)CCc1ccccn1 Amb33532884 [0,0,0,0,0,1|1,0,0]=2 1245 B11R1.91 O=C(O)CCc1ccccn1 Amb8428105 [0,0,0,0,0,1|1,0,0]=2 1246 B11R1.91 O=C(O)CCc1cccnc1 Amb1214870 [0,0,0,0,0,1|1,0,0]=2 1247 B11R1.91 O=C(O)CCc1cccnn1 Amb23592184 [0,0,0,0,0,1|1,0,0]=2 1248 B11R1.91 O=C(O)CCc1ccncc1 Amb1090849 [0,0,0,0,0,1|1,0,1]=3 1249 B11R1.91 O=C(O)CCc1ccncn1 Amb33545203 [0,0,0,0,0,1|0,0,1]=2 1250 B11R1.91 O=C(O)CCc1ccnnc1 Amb22499259 [0,0,0,0,0,1|1,0,1]=3 1251 B11R1.91 O=C(O)CCc1cnccn1 Amb5846608 [0,0,0,0,0,1|0,0,1]=2 1252 B11R1.91 O=C(O)CCc1cncnc1 Amb18201449 [0,0,0,0,0,1|0,0,1]=2 1253 B11R1.91 O=C(O)CCc1cncnn1 Amb27956128 [0,0,0,0,0,1|0,0,1]=2 1254 B11R1.91 O=C(O)CCc1cnncn1 Amb18201165 [0,0,0,0,0,1|0,0,1]=2 1255 B11R1.91 O=C(O)CCc1ncccn1 Amb3997808 [0,0,0,0,0,1|1,0,0]=2 1256 B11R1.91 O=C(O)CCc1nccnn1 Amb18201164 [0,0,0,0,0,1|1,0,1]=3 1257 B11R1.91 O=C(O)CCc1ncncn1 Amb18862491 [0,0,0,0,0,1|0,0,1]=2 1258 B11R1.91 O=C(O)CNc1ccccc1 Amb840513 [0,0,0,0,0,1|3,0,0]=4 1259 B11R1.91 O=C(O)CNc1ccccn1 Amb33549202 [0,0,0,0,0,1|2,0,0]=3 1260 B11R1.91 O=C(O)CNc1ccccn1 Amb4025757 [0,0,0,0,0,1|2,0,0]=3 1261 B11R1.91 O=C(O)CNc1cccnc1 Amb17593781 [0,0,0,0,0,1|2,0,0]=3 1262 B11R1.91 O=C(O)CNc1cccnc1 Amb22035240 [0,0,0,0,0,1|2,0,0]=3 1263 B11R1.91 O=C(O)CNc1ccncc1 Amb33549238 [0,0,0,0,0,1|2,0,1]=4 1264 B11R1.91 O=C(O)CNc1ccncc1 Amb6271127 [0,0,0,0,0,1|2,0,1]=4 1265 B11R1.91 O=C(O)CNc1ccncn1 Amb18973871 [0,0,0,0,0,1|1,0,1]=3 1266 B11R1.91 O=C(O)CNc1cnccn1 Amb6256346 [0,0,0,0,0,1|1,0,1]=3 1267 B11R1.91 O=C(O)CNc1cncnc1 Amb18933571 [0,0,0,0,0,1|1,0,1]=3 1268 B11R1.91 O=C(O)CNc1ncccn1 Amb2372087 [0,0,0,0,0,1|2,0,0]=3 1269 B11R1.91 O=C(O)COc1ccccc1 Amb1213413 [0,0,0,0,0,1|3,0,0]=4 1270 B11R1.91 O=C(O)COc1ccccc1 Amb22274444 [0,0,0,0,0,1|3,0,0]=4 1271 B11R1.91 O=C(O)COc1ccccn1 Amb2610077 [0,0,0,0,0,1|2,0,0]=3 1272 B11R1.91 O=C(O)COc1ccccn1 Amb34912615 [0,0,0,0,0,1|2,0,0]=3 1273 B11R1.91 O=C(O)COc1cccnc1 Amb22738612 [0,0,0,0,0,1|2,0,0]=3 1274 B11R1.91 O=C(O)COc1cccnc1 Amb33552775 [0,0,0,0,0,1|2,0,0]=3 1275 B11R1.91 O=C(O)COc1cccnc1 Amb836933 [0,0,0,0,0,1|2,0,0]=3 1276 B11R1.91 O=C(O)COc1cccnn1 Amb2819556 [0,0,0,0,0,1|2,0,0]=3 1277 B11R1.91 O=C(O)COc1ccncc1 Amb18125520 [0,0,0,0,0,1|2,0,1]=4 1278 B11R1.91 O=C(O)COc1ccncn1 Amb26495531 [0,0,0,0,0,1|1,0,1]=3 1279 B11R1.91 O=C(O)COc1cnccn1 Amb26976070 [0,0,0,0,0,1|1,0,1]=3 1280 B11R1.91 O=C(O)COc1cncnc1 Amb8009333 [0,0,0,0,0,1|1,0,1]=3 1281 B11R1.91 O=C(O)COc1ncccn1 Amb8010398 [0,0,0,0,0,1|2,0,0]=3 1282 B11R1.91 O=C(O)CSc1ccccc1 Amb1038999 [0,0,0,0,0,1|3,0,0]=4 1283 B11R1.91 O=C(O)CSc1ccccn1 Amb1130490 [0,0,0,0,0,1|2,0,0]=3 1284 B11R1.91 O=C(O)CSc1cccnn1 Amb9174289 [0,0,0,0,0,1|2,0,0]=3 1285 B11R1.91 O=C(O)CSc1ccncc1 Amb24053001 [0,0,0,0,0,1|2,0,1]=4 1286 B11R1.91 O=C(O)CSc1ccncc1 Amb3940121 [0,0,0,0,0,1|2,0,1]=4 1287 B11R1.91 O=C(O)CSc1ccncn1 Amb8089703 [0,0,0,0,0,1|1,0,1]=3 1288 B11R1.91 O=C(O)CSc1ccnnc1 Amb24670204 [0,0,0,0,0,1|2,0,1]=4 1289 B11R1.91 O=C(O)CSc1cnccn1 Amb6278353 [0,0,0,0,0,1|1,0,1]=3 1290 B11R1.91 O=C(O)CSc1ncccn1 Amb1625763 [0,0,0,0,0,1|2,0,0]=3 1291 B11R1.91 O=C(O)CSc1nccnn1 Amb24433355 [0,0,0,0,0,1|2,0,1]=4 1292 B11R1.91 O=C(O)\C=C/c1ccccn1 Amb10071558 [0,0,0,0,0,1|1,0,2]=4 1293 B11R1.91 O=C(O)\C=C/c1cccnc1 Amb25378742 [0,0,0,0,0,1|1,0,2]=4 1294 B11R1.91 O=C(O)\C=C/c1cncnc1 Amb27975406 [0,0,0,0,0,1|0,0,3]=4 1295 B11R1.91 O=C(O)\C=C\c1ccccn1 Amb2690432 [0,0,0,0,0,1|1,0,2]=4 1296 B11R1.91 O=C(O)\C=C\c1cccnc1 Amb2690433 [0,0,0,0,0,1|1,0,2]=4 1297 B11R1.91 O=C(O)\C=C\c1cccnc1 Amb33718815 [0,0,0,0,0,1|1,0,2]=4 1298 B11R1.91 O=C(O)\C=C\c1cccnn1 Amb18125070 [0,0,0,0,0,1|1,0,2]=4 1299 B11R1.91 O=C(O)\C=C\c1ccncn1 Amb25337419 [0,0,0,0,0,1|0,0,3]=4 1300 B11R1.91 O=C(O)\C=C\c1cnccn1 Amb24082749 [0,0,0,0,0,1|0,0,3]=4 1301 B11R1.91 O=C(O)\C=C\c1cncnc1 Amb9780324 [0,0,0,0,0,1|0,0,3]=4 1302 B11R1.91 O=C(O)\C=C\c1ncccn1 Amb17593721 [0,0,0,0,0,1|1,0,2]=4 1303 B11R1.91 O=C([O-])CCc1ccccn1 Amb32882485 [0,0,0,0,0,1|1,0,1]=3 1304 B11R1.91 O=C([O-])COc1ccccn1 Amb30584712 [0,0,0,0,0,1|2,0,1]=4 1305 B11R1.91 O=C([O-])CSc1ncccn1 Amb33513076 [0,0,0,0,0,1|2,0,1]=4 1306 B11R1.91 O=S(O)CCc1ccccc1 Amb27860522 [0,0,0,0,0,1|3,0,0]=4 1307 B11R1.91 O=S([O-])CCc1ccccn1 Amb26550273 [0,0,0,0,0,1|2,0,1]=4 1308 B11R1.91 O=[N+]([O-])CCc1ccccn1 Amb17399924 [0,0,0,0,0,1|2,0,1]=4 1309 B11R1.91 O=[N+]([O-])CCc1cccnc1 Amb17399925 [0,0,0,0,0,1|2,0,1]=4 1310 B11R1.91 O=[N+]([O-])CCc1ccncn1 Amb33268570 [0,0,0,0,0,1|1,0,2]=4 1311 B11R1.91 O=[N+]([O-])CCc1cnccn1 Amb33225377 [0,0,0,0,0,1|1,0,2]=4 1312 B11R1.91 O=[N+]([O-])CCc1cncnc1 Amb33149156 [0,0,0,0,0,1|1,0,2]=4 1313 B11R1.91 O=[N+]([O-])CCc1ncccn1 Amb33225250 [0,0,0,0,0,1|2,0,1]=4 1314 B11R1.91 O=[PH](O)CCc1ccccc1 Amb27210683 [0,0,0,0,0,1|3,0,0]=4 1315 B11R1.91 OB(O)CCc1cccnc1 Amb25259201 [0,0,0,0,0,1|2,0,1]=4 1316 B11R1.172 C=C(Br)CNCc1cocn1 Amb27270184 [0,0,0,0,0,1|3,0,0]=4 1317 B11R1.172 C=C(Br)CNCc1cscn1 Amb27988172 [0,0,0,0,0,1|3,0,0]=4 1318 B11R1.172 C=C(Cl)CNCc1cocn1 Amb27271851 [0,0,0,0,0,1|3,0,0]=4 1319 B11R1.172 C=C(Cl)CNCc1cscn1 Amb27988166 [0,0,0,0,0,1|3,0,0]=4 1320 B11R1.172 CC(=O)CCCc1ccco1 Amb17232099 [0,0,0,0,0,1|3,0,0]=4 1321 B11R1.172 CC(=O)CCCc1cccs1 Amb17232678 [0,0,0,0,0,1|3,0,0]=4 1322 B11R1.172 CC(=O)CCCc1ccoc1 Amb28080133 [0,0,0,0,0,1|3,0,0]=4 1323 B11R1.172 CC(=O)CCCc1ccsc1 Amb27492050 [0,0,0,0,0,1|3,0,0]=4 1324 B11R1.172 CC(=O)CCCc1nccs1 Amb27492117 [0,0,0,0,0,1|3,0,0]=4 1325 B11R1.172 CC(=O)CCCn1cccn1 Amb9659583 [0,0,0,0,0,1|3,0,0]=4 1326 B11R1.172 CC(=O)CCCn1cncn1 Amb9659591 [0,0,0,0,0,1|2,0,1]=4 1327 B11R1.172 CC(=O)CCNc1ccsc1 Amb32675826 [0,0,0,0,0,1|3,0,0]=4 1328 B11R1.172 CC(=O)CCSc1ccco1 Amb27672627 [0,0,0,0,0,1|3,0,0]=4 1329 B11R1.172 CC(=O)CSCc1ccco1 Amb6357577 [0,0,0,0,0,1|3,0,0]=4 1330 B11R1.172 CC(=O)CSCc1ccoc1 Amb27672517 [0,0,0,0,0,1|3,0,0]=4 1331 B11R1.172 CC(=O)NCCC1=CNCN1 Amb28129817 [0,0,0,0,0,1|1,0,2]=4 1332 B11R1.172 CC(=O)NCCc1ccco1 Amb8336373 [0,0,0,0,0,1|3,0,0]=4 1333 B11R1.172 CC(=O)NCCc1ccoc1 Amb22643451 [0,0,0,0,0,1|3,0,0]=4 1334 B11R1.172 CC(=O)NCCn1cncn1 Amb28065613 [0,0,0,0,0,1|2,0,1]=4 1335 B11R1.172 CC(=O)OCCc1ccco1 Amb27272289 [0,0,0,0,0,1|3,0,0]=4 1336 B11R1.172 CC(=O)OCCc1cccs1 Amb24756179 [0,0,0,0,0,1|3,0,0]=4 1337 B11R1.172 CC(=O)OCCc1cscn1 Amb27989529 [0,0,0,0,0,1|2,0,0]=3 1338 B11R1.172 CC(C)=CCCc1cscn1 Amb35582945 [0,0,0,0,0,1|3,0,0]=4 1339 B11R1.172 CC(O)CNCc1cocn1 Amb28352031 [0,0,0,0,0,1|2,0,1]=4 1340 B11R1.172 C[C@@H](O)CNCc1cocn1 Amb27989108 [0,0,0,0,0,1|2,0,1]=4 1341 B11R1.172 C[C@H](O)CNCc1cocn1 Amb28387017 [0,0,0,0,0,1|2,0,1]=4 1342 B11R1.172 NC(=O)CCCc1cccs1 Amb8858354 [0,0,0,0,0,1|3,0,0]=4 1343 B11R1.172 NC(=O)CCNc1ccsc1 Amb27664503 [0,0,0,0,0,1|3,0,0]=4 1344 B11R1.172 NC(=O)CCNc1ncns1 Amb28054057 [0,0,0,0,0,1|2,0,1]=4 1345 B11R1.172 NC(=O)CNCc1ccco1 Amb1131866 [0,0,0,0,0,1|3,0,0]=4 1346 B11R1.172 NC(=O)CNCc1cccs1 Amb1139535 [0,0,0,0,0,1|3,0,0]=4 1347 B11R1.172 NC(=O)CNCc1ncon1 Amb27492488 [0,0,0,0,0,1|3,0,0]=4 1348 B11R1.172 NC(=O)COCc1cccs1 Amb18806841 [0,0,0,0,0,1|3,0,0]=4 1349 B11R1.172 NC(=O)NCCc1cccs1 Amb1089616 [0,0,0,0,0,1|3,0,0]=4 1350 B11R1.172 NC(=O)NCCc1ccoc1 Amb35627268 [0,0,0,0,0,1|3,0,0]=4 1351 B11R1.172 O=C(Cl)NCCc1ccco1 Amb35625501 [0,0,0,0,0,1|3,0,0]=4 1352 B11R1.172 O=C(Cl)NCCc1cccs1 Amb35625498 [0,0,0,0,0,1|3,0,0]=4 1353 B11R1.172 O=C(Cl)NCCc1ccoc1 Amb35605280 [0,0,0,0,0,1|3,0,0]=4 1354 B11R1.172 O=C(Cl)NCCc1ccsc1 Amb35625682 [0,0,0,0,0,1|3,0,0]=4 1355 B11R1.172 O=C(Cl)NCCc1cscn1 Amb35625522 [0,0,0,0,0,1|2,0,0]=3 1356 B11R1.172 O=C(Cl)NCCc1nccs1 Amb35625796 [0,0,0,0,0,1|3,0,0]=4 1357 B11R1.172 O=C(Cl)NCCn1cccn1 Amb35625791 [0,0,0,0,0,1|3,0,0]=4 1358 B11R1.172 O=C(Cl)NCCn1cncn1 Amb35625621 [0,0,0,0,0,1|2,0,1]=4 1359 B11R1.172 O=C(Cl)OCCc1cccs1 Amb27269565 [0,0,0,0,0,1|3,0,0]=4 1360 B11R1.172 O=C(Cl)OCCc1ccoc1 Amb33297070 [0,0,0,0,0,1|3,0,0]=4 1361 B11R1.172 O=C(Cl)OCCc1ccsc1 Amb27989801 [0,0,0,0,0,1|3,0,0]=4 1362 B11R1.172 O=C(Cl)OCCn1cncn1 Amb33297273 [0,0,0,0,0,1|2,0,1]=4 1363 B11R1.172 O=C(O)C#CCc1ccsc1 Amb27466663 [0,0,0,0,0,1|2,0,1]=4 1364 B11R1.172 O=C(O)C#CCc1nccs1 Amb27234353 [0,0,0,0,0,1|2,0,1]=4 1365 B11R1.172 O=C(O)CC#Cc1ccco1 Amb25229145 [0,0,0,0,0,1|2,0,1]=4 1366 B11R1.172 O=C(O)CC#Cc1cccs1 Amb25069564 [0,0,0,0,0,1|2,0,1]=4 1367 B11R1.172 O=C(O)CCCC1=CCCC1 Amb18125777 [0,0,0,0,0,1|2,0,1]=4 1368 B11R1.172 O=C(O)CCCC1=NCCN1 Amb27674406 [0,0,0,0,0,1|2,0,1]=4 1369 B11R1.172 O=C(O)CCCc1ccco1 Amb18125675 [0,0,0,0,0,1|2,0,0]=3 1370 B11R1.172 O=C(O)CCCc1cccs1 Amb1152340 [0,0,0,0,0,1|2,0,0]=3 1371 B11R1.172 O=C(O)CCCc1ccno1 Amb18200545 [0,0,0,0,0,1|2,0,1]=4 1372 B11R1.172 O=C(O)CCCc1ccoc1 Amb25385034 [0,0,0,0,0,1|2,0,0]=3 1373 B11R1.172 O=C(O)CCCc1ccon1 Amb24062140 [0,0,0,0,0,1|2,0,0]=3 1374 B11R1.172 O=C(O)CCCc1ccsc1 Amb22000608 [0,0,0,0,0,1|2,0,0]=3 1375 B11R1.172 O=C(O)CCCc1ccsn1 Amb18198614 [0,0,0,0,0,1|2,0,0]=3 1376 B11R1.172 O=C(O)CCCc1cnco1 Amb18200538 [0,0,0,0,0,1|1,0,1]=3 1377 B11R1.172 O=C(O)CCCc1cncs1 Amb18198607 [0,0,0,0,0,1|1,0,1]=3 1378 B11R1.172 O=C(O)CCCc1cocn1 Amb18200521 [0,0,0,0,0,1|1,0,0]=2 1379 B11R1.172 O=C(O)CCCc1cscn1 Amb18062607 [0,0,0,0,0,1|1,0,0]=2 1380 B11R1.172 O=C(O)CCCc1csnn1 Amb26650426 [0,0,0,0,0,1|2,0,0]=3 1381 B11R1.172 O=C(O)CCCc1ncco1 Amb18559420 [0,0,0,0,0,1|2,0,0]=3 1382 B11R1.172 O=C(O)CCCc1nccs1 Amb18198612 [0,0,0,0,0,1|2,0,0]=3 1383 B11R1.172 O=C(O)CCCc1ncns1 Amb18198313 [0,0,0,0,0,1|1,0,1]=3 1384 B11R1.172 O=C(O)CCCc1ncon1 Amb18200268 [0,0,0,0,0,1|2,0,0]=3 1385 B11R1.172 O=C(O)CCCc1ncsn1 Amb18198314 [0,0,0,0,0,1|2,0,0]=3 1386 B11R1.172 O=C(O)CCCc1nnco1 Amb17138462 [0,0,0,0,0,1|2,0,1]=4 1387 B11R1.172 O=C(O)CCCn1cccc1 Amb1130872 [0,0,0,0,0,1|3,0,0]=4 1388 B11R1.172 O=C(O)CCCn1cccn1 Amb6251039 [0,0,0,0,0,1|2,0,0]=3 1389 B11R1.172 O=C(O)CCCn1ccnc1 Amb13949166 [0,0,0,0,0,1|2,0,1]=4 1390 B11R1.172 O=C(O)CCCn1ccnc1 Amb2721839 [0,0,0,0,0,1|2,0,1]=4 1391 B11R1.172 O=C(O)CCCn1ccnn1 Amb18255007 [0,0,0,0,0,1|3,0,0]=4 1392 B11R1.172 O=C(O)CCCn1cncn1 Amb1102653 [0,0,0,0,0,1|1,0,1]=3 1393 B11R1.172 O=C(O)CCCn1cncn1 Amb22586679 [0,0,0,0,0,1|1,0,1]=3 1394 B11R1.172 O=C(O)CCCn1cnnn1 Amb10608461 [0,0,0,0,0,1|2,0,1]=4 1395 B11R1.172 O=C(O)CCNC1=NCCC1 Amb10976572 [0,0,0,0,0,1|1,0,2]=4 1396 B11R1.172 O=C(O)CCNC1=NCCN1 Amb4006099 [0,0,0,0,0,1|2,0,1]=4 1397 B11R1.172 O=C(O)CCNc1nccs1 Amb1110975 [0,0,0,0,0,1|2,0,0]=3 1398 B11R1.172 O=C(O)CCNc1ncns1 Amb28203201 [0,0,0,0,0,1|1,0,1]=3 1399 B11R1.172 O=C(O)CCNc1nncs1 Amb18092003 [0,0,0,0,0,1|2,0,1]=4 1400 B11R1.172 O=C(O)CCSC1=NCCS1 Amb3551842 [0,0,0,0,0,1|2,0,1]=4 1401 B11R1.172 O=C(O)CCSc1cccs1 Amb6717244 [0,0,0,0,0,1|2,0,0]=3 1402 B11R1.172 O=C(O)CCSc1ccoc1 Amb27988487 [0,0,0,0,0,1|2,0,0]=3 1403 B11R1.172 O=C(O)CCSc1ncns1 Amb27672014 [0,0,0,0,0,1|1,0,1]=3 1404 B11R1.172 O=C(O)CCSc1nnco1 Amb17138715 [0,0,0,0,0,1|2,0,1]=4 1405 B11R1.172 O=C(O)CNCc1ccco1 Amb2592332 [0,0,0,0,0,1|2,0,0]=3 1406 B11R1.172 O=C(O)CNCc1cccs1 Amb8827556 [0,0,0,0,0,1|2,0,0]=3 1407 B11R1.172 O=C(O)CNCc1ccno1 Amb9325921 [0,0,0,0,0,1|2,0,1]=4 1408 B11R1.172 O=C(O)CNCc1ccsc1 Amb8827740 [0,0,0,0,0,1|2,0,0]=3 1409 B11R1.172 O=C(O)CNCc1cscn1 Amb9325650 [0,0,0,0,0,1|1,0,0]=2 1410 B11R1.172 O=C(O)CNCc1csnn1 Amb9529302 [0,0,0,0,0,1|2,0,0]=3 1411 B11R1.172 O=C(O)CNCc1nccs1 Amb19648760 [0,0,0,0,0,1|2,0,0]=3 1412 B11R1.172 O=C(O)CNCc1ncon1 Amb9325916 [0,0,0,0,0,1|2,0,0]=3 1413 B11R1.172 O=C(O)COCc1cccs1 Amb19015456 [0,0,0,0,0,1|2,0,0]=3 1414 B11R1.172 O=C(O)COCc1ccsc1 Amb27271137 [0,0,0,0,0,1|2,0,0]=3 1415 B11R1.172 O=C(O)COCc1cncs1 Amb27986318 [0,0,0,0,0,1|1,0,1]=3 1416 B11R1.172 O=C(O)COCc1nccs1 Amb23570603 [0,0,0,0,0,1|2,0,0]=3 1417 B11R1.172 O=C(O)COCc1ncno1 Amb18306338 [0,0,0,0,0,1|1,0,1]=3 1418 B11R1.172 O=C(O)CSCC1=CCCC1 Amb28080558 [0,0,0,0,0,1|2,0,1]=4 1419 B11R1.172 O=C(O)CSCc1ccco1 Amb2721897 [0,0,0,0,0,1|2,0,0]=3 1420 B11R1.172 O=C(O)CSCc1cccs1 Amb423757 [0,0,0,0,0,1|2,0,0]=3 1421 B11R1.172 O=C(O)CSCc1ccsc1 Amb446162 [0,0,0,0,0,1|2,0,0]=3 1422 B11R1.172 O=C(O)CSCc1cscn1 Amb33528427 [0,0,0,0,0,1|1,0,0]=2 1423 B11R1.172 O=C(O)CSCc1cscn1 Amb33550256 [0,0,0,0,0,1|1,0,0]=2 1424 B11R1.172 O=C(O)CSCc1nccs1 Amb27266651 [0,0,0,0,0,1|2,0,0]=3 1425 B11R1.172 O=C(O)C\C=C\c1cccs1 Amb18563846 [0,0,0,0,0,1|2,0,1]=4 1426 B11R1.172 O=C(O)C\N=C\c1cccs1 Amb27983815 [0,0,0,0,0,1|2,0,1]=4 1427 B11R1.172 O=C(O)\C=C\Cc1ccco1 Amb25060755 [0,0,0,0,0,1|2,0,1]=4 1428 B11R1.172 O=C(O)\C=C\Cc1cccs1 Amb25989107 [0,0,0,0,0,1|2,0,1]=4 1429 B11R1.172 O=C(O)\C=C\Cc1ccsc1 Amb33470057 [0,0,0,0,0,1|2,0,1]=4 1430 B11R1.172 O=C(O)\C=C\Cn1cncn1 Amb18296125 [0,0,0,0,0,1|1,0,2]=4 1431 B11R1.172 O=C(O)\C=C\Cn1cncn1 Amb34915331 [0,0,0,0,0,1|1,0,2]=4 1432 B11R1.172 O=C([O-])CCCc1cccs1 Amb33513078 [0,0,0,0,0,1|2,0,1]=4 1433 B11R1.172 O=C([O-])CCCc1nccs1 Amb28652969 [0,0,0,0,0,1|2,0,1]=4 1434 B11R1.172 O=C([O-])COCc1ccco1 Amb10610157 [0,0,0,0,0,1|2,0,1]=4 1435 B8R0.4 O=CCC\C=C/C=C/Br Amb27484031 [1,0,1,0,0,0|2,0,0]=4 1436 B8R0.7 C#C\C=C\CCC(=O)O Amb10605297 [1,0,1,0,0,0|1,0,1]=4 1437 B8R0.7 C=CC#CCCC(=O)O Amb28422492 [1,0,1,0,0,0|1,0,1]=4 1438 B8R0.7 C=CC=C=CCC(=O)O Amb28120587 [1,0,1,0,0,0|2,0,0]=4 1439 B8R0.7 C=CCCCCC(=O)O Amb6299578 [1,0,1,0,0,0|1,0,1]=4 1440 B8R0.7 C=CCNCCC(=O)O Amb33527032 [1,0,1,0,0,0|2,0,0]=4 1441 B8R0.7 C=CCNCCC(=O)O Amb7755724 [1,0,1,0,0,0|2,0,0]=4 1442 B8R0.7 C=CC\C=C\CC(=O)O Amb18642408 [1,0,1,0,0,0|1,0,1]=4 1443 B8R0.7 C=C\C=C\CCC(=O)O Amb10605294 [1,0,1,0,0,0|1,0,0]=3 1444 B8R0.7 CC(=O)CC\C=C\C=O Amb26875051 [1,0,1,0,0,0|2,0,0]=4 1445 B8R0.7 CC\C=C/CCC(=O)O Amb25831265 [1,0,1,0,0,0|1,0,1]=4 1446 B8R0.7 CC\C=C\CCC(=O)O Amb18642608 [1,0,1,0,0,0|1,0,1]=4 1447 B8R0.7 C\C=C\C=C\CC(=O)O Amb27755824 [1,0,1,0,0,0|1,0,1]=4 1448 B8R0.7 C\C=C\CCCC(=O)O Amb18642615 [1,0,1,0,0,0|1,0,1]=4 1449 B8R0.7 N#C\C=C\CCC(=O)O Amb27785050 [1,0,1,0,0,0|0,0,2]=4 1450 B8R0.7 O=CC\C=C\CC(=O)O Amb25911988 [1,0,1,0,0,0|2,0,0]=4 1451 B8R0.7 O=CNCCCC(=O)O Amb18305404 [1,0,1,0,0,0|1,0,1]=4 1452 B8R0.7 O=C\C=C\CCC(=O)O Amb26920160 [1,0,1,0,0,0|1,0,0]=3 1453 B8R0.9 C#CC(=C)CCC(=O)O Amb27655639 [1,0,1,0,0,0|1,0,1]=4 1454 B8R0.9 C=C(C=O)CCC(=O)O Amb27655564 [1,0,1,0,0,0|1,0,0]=3 1455 B8R0.9 C=CC(=C)CCC(=O)O Amb18642412 [1,0,1,0,0,0|1,0,0]=3 1456 B8R0.9 C=CC(=O)NCC(=O)O Amb33532656 [1,0,1,0,0,0|2,0,0]=4 1457 B8R0.9 C=CC(=O)OCC(=O)O Amb27241348 [1,0,1,0,0,0|2,0,0]=4 1458 B8R0.9 C=CC(=O)SCC(=O)O Amb27755823 [1,0,1,0,0,0|2,0,0]=4 1459 B8R0.9 C=CC(N)CCC(=O)O Amb10843623 [1,0,1,0,0,0|0,0,2]=4 1460 B8R0.9 C=CC(N)CCC(=O)O Amb22056347 [1,0,1,0,0,0|0,0,2]=4 1461 B8R0.9 C=CC(O)CCC(=O)O Amb25785193 [1,0,1,0,0,0|1,0,1]=4 1462 B8R0.9 C=CC([NH3+])CCC(=O)O Amb10845648 [1,0,1,0,0,0|0,0,2]=4 1463 B8R0.9 C=C[C@H](N)CCC(=O)O Amb25694354 [1,0,1,0,0,0|0,0,2]=4 1464 B8R0.9 C=C[C@H](O)CCC(=O)O Amb27168215 [1,0,1,0,0,0|1,0,1]=4 1465 B8R0.9 C=C\C(C)=C\CC(=O)O Amb33276241 [1,0,1,0,0,0|1,0,1]=4 1466 B8R0.9 CNC(=O)CCC(=O)O Amb2720937 [1,0,1,0,0,0|1,0,1]=4 1467 B8R0.9 C\C(CCC(=O)O)=N/O Amb25138471 [1,0,1,0,0,0|1,0,1]=4 1468 B8R0.9 NCC(=O)CCC(=O)O Amb2720232 [1,0,1,0,0,0|1,0,1]=4 1469 B8R0.9 NCC(=O)CCC(=O)O Amb5395775 [1,0,1,0,0,0|1,0,1]=4 1470 B8R0.9 O=C(O)CC\C(O)=N\O Amb24745795 [1,0,1,0,0,0|2,0,0]=4 1471 B8R0.9 O=CC(=O)CCC(=O)O Amb18642737 [1,0,1,0,0,0|2,0,0]=4 1472 B8R1.8 BrCCc1cscn1 Amb24357977 [2,0,0,0,0,0|2,0,0]=4 1473 B8R1.8 BrCCc1cscn1 Amb33482927 [2,0,0,0,0,0|2,0,0]=4 1474 B8R1.8 CCCc1cscn1 Amb13884094 [2,0,0,0,0,0|1,0,1]=4 1475 B8R1.8 ClCCc1cscn1 Amb10608058 [2,0,0,0,0,0|2,0,0]=4 1476 B8R1.8 NCCc1cocn1 Amb8009426 [2,0,0,0,0,0|2,0,0]=4 1477 B8R1.8 NCCc1cscn1 Amb17935894 [2,0,0,0,0,0|2,0,0]=4 1478 B8R1.8 NCCc1cscn1 Amb32409469 [2,0,0,0,0,0|2,0,0]=4 1479 B8R1.8 NCCc1cscn1 Amb5782907 [2,0,0,0,0,0|2,0,0]=4 1480 B8R1.8 O=CCc1ccco1 Amb17089526 [2,0,0,0,0,0|2,0,0]=4 1481 B8R1.8 O=CCc1cccs1 Amb17089527 [2,0,0,0,0,0|2,0,0]=4 1482 B8R1.8 O=CCc1ccoc1 Amb18641576 [2,0,0,0,0,0|2,0,0]=4 1483 B8R1.8 O=CCc1ccon1 Amb26390824 [2,0,0,0,0,0|2,0,0]=4 1484 B8R1.8 O=CCc1ccsc1 Amb26603755 [2,0,0,0,0,0|2,0,0]=4 1485 B8R1.8 O=CCc1ccsn1 Amb27190366 [2,0,0,0,0,0|2,0,0]=4 1486 B8R1.8 O=CCc1cnco1 Amb24653904 [2,0,0,0,0,0|1,0,1]=4 1487 B8R1.8 O=CCc1cncs1 Amb28316235 [2,0,0,0,0,0|1,0,1]=4 1488 B8R1.8 O=CCc1cscn1 Amb24469342 [2,0,0,0,0,0|1,0,0]=3 1489 B8R1.8 O=CCc1csnn1 Amb26641203 [2,0,0,0,0,0|2,0,0]=4 1490 B8R1.8 O=CCc1ncco1 Amb26946687 [2,0,0,0,0,0|2,0,0]=4 1491 B8R1.8 O=CCc1nccs1 Amb26856976 [2,0,0,0,0,0|2,0,0]=4 1492 B8R1.8 O=CCn1cccn1 Amb32411521 [2,0,0,0,0,0|2,0,0]=4 1493 B8R1.8 O=CCn1cncn1 Amb27170214 [2,0,0,0,0,0|1,0,1]=4 1494 B8R1.8 OCCc1ccco1 Amb17089516 [2,0,0,0,0,0|2,0,0]=4 1495 B8R1.8 OCCc1cccs1 Amb2099445 [2,0,0,0,0,0|2,0,0]=4 1496 B8R1.8 OCCc1ccoc1 Amb25802261 [2,0,0,0,0,0|2,0,0]=4 1497 B8R1.8 OCCc1ccon1 Amb33198329 [2,0,0,0,0,0|2,0,0]=4 1498 B8R1.8 OCCc1ccsc1 Amb3939119 [2,0,0,0,0,0|2,0,0]=4 1499 B8R1.8 OCCc1ccsn1 Amb28453528 [2,0,0,0,0,0|2,0,0]=4 1500 B8R1.8 OCCc1cnco1 Amb33474917 [2,0,0,0,0,0|1,0,1]=4 1501 B8R1.8 OCCc1cncs1 Amb33544209 [2,0,0,0,0,0|1,0,1]=4 1502 B8R1.8 OCCc1cocn1 Amb17399797 [2,0,0,0,0,0|1,0,0]=3 1503 B8R1.8 OCCc1cscn1 Amb33548480 [2,0,0,0,0,0|1,0,0]=3 1504 B8R1.8 OCCc1csnn1 Amb26641240 [2,0,0,0,0,0|2,0,0]=4 1505 B8R1.8 OCCc1ncco1 Amb27495611 [2,0,0,0,0,0|2,0,0]=4 1506 B8R1.8 OCCc1nccs1 Amb33547163 [2,0,0,0,0,0|2,0,0]=4 1507 B8R1.8 OCCc1ncon1 Amb28125753 [2,0,0,0,0,0|2,0,0]=4 1508 B8R1.8 OCCn1cccn1 Amb6382238 [2,0,0,0,0,0|2,0,0]=4 1509 B8R1.8 OCCn1cncn1 Amb33531609 [2,0,0,0,0,0|1,0,1]=4 1510 B8R1.8 ONCc1cscn1 Amb27162852 [2,0,0,0,0,0|2,0,0]=4 1511 B8R1.8 SCCc1cscn1 Amb25356281 [2,0,0,0,0,0|1,1,0]=4 1512 B10R0.97 N=C(N)NCCCCC(=O)O Amb23523074 [0,1,1,0,0,0|0,0,2]=4 1513 B10R1.11 C=CCC(N)c1cscn1 Amb28398425 [1,1,0,0,0,0|2,0,0]=4 1514 B10R1.11 C=CCC(O)c1cscn1 Amb27949714 [1,1,0,0,0,0|2,0,0]=4 1515 B10R1.11 CC(CC=O)c1ccco1 Amb17593491 [1,1,0,0,0,0|2,0,0]=4 1516 B10R1.11 CC(NC=O)c1cscn1 Amb35612291 [1,1,0,0,0,0|2,0,0]=4 1517 B10R1.11 C[C@H](CC=O)c1ccsc1 Amb28199920 [1,1,0,0,0,0|2,0,0]=4 1518 B10R1.11 NC(CCO)c1cscn1 Amb26003706 [1,1,0,0,0,0|1,0,1]=4 1519 B10R1.11 O=CCC(=O)c1cscn1 Amb26972671 [1,1,0,0,0,0|1,0,1]=4 1520 B10R1.11 O=CCC(O)c1ccsc1 Amb28050531 [1,1,0,0,0,0|2,0,0]=4 1521 B10R1.11 O=CCC(O)c1cncs1 Amb28050532 [1,1,0,0,0,0|1,0,1]=4 1522 B10R1.11 O=CCC(O)c1cscn1 Amb28050534 [1,1,0,0,0,0|1,0,0]=3 1523 B10R1.16 C#CCCc1cn(C)cn1 Amb33324196 [1,1,0,0,0,0|1,0,1]=4 1524 B10R1.16 C=CCCc1cn(C)cn1 Amb35715624 [1,1,0,0,0,0|1,0,0]=3 1525 B10R1.16 C=CCCc1csc(N)n1 Amb25854850 [1,1,0,0,0,0|2,0,0]=4 1526 B10R1.16 CNCCc1cn(C)cn1 Amb23603747 [1,1,0,0,0,0|2,0,0]=4 1527 B10R1.16 Cc1cc(CCC=O)co1 Amb27202262 [1,1,0,0,0,0|2,0,0]=4 1528 B10R1.16 Cc1cc(CCC=O)cs1 Amb27259250 [1,1,0,0,0,0|2,0,0]=4 1529 B10R1.16 Cc1cc(CCC=O)no1 Amb28428512 [1,1,0,0,0,0|2,0,0]=4 1530 B10R1.16 Cc1ccc(CCC=O)o1 Amb2794106 [1,1,0,0,0,0|2,0,0]=4 1531 B10R1.16 Cc1ccc(CCC=O)s1 Amb24720268 [1,1,0,0,0,0|2,0,0]=4 1532 B10R1.16 Cc1ccn(CCC=O)n1 Amb27839150 [1,1,0,0,0,0|2,0,0]=4 1533 B10R1.16 Cc1cnn(CCC=O)c1 Amb27180978 [1,1,0,0,0,0|2,0,0]=4 1534 B10R1.16 Cc1csc(CCC=O)c1 Amb33373461 [1,1,0,0,0,0|2,0,0]=4 1535 B10R1.16 Cc1csc(CCC=O)n1 Amb8010569 [1,1,0,0,0,0|2,0,0]=4 1536 B10R1.16 Cc1nc(CCC=O)cs1 Amb26022883 [1,1,0,0,0,0|1,0,0]=3 1537 B10R1.16 Cc1nc(CCCO)cs1 Amb28282036 [1,1,0,0,0,0|1,0,1]=4 1538 B10R1.16 Cc1ncc(CCC=O)s1 Amb33149369 [1,1,0,0,0,0|1,0,1]=4 1539 B10R1.16 Cn1cc(CCC=O)cn1 Amb24447260 [1,1,0,0,0,0|2,0,0]=4 1540 B10R1.16 Cn1cc(CCC=O)nn1 Amb26554911 [1,1,0,0,0,0|1,0,0]=3 1541 B10R1.16 Cn1cc(CCCO)nn1 Amb26340255 [1,1,0,0,0,0|1,0,1]=4 1542 B10R1.16 Cn1cc(CNC=O)nn1 Amb28399772 [1,1,0,0,0,0|2,0,0]=4 1543 B10R1.16 Cn1ccc(CCC=O)c1 Amb27200748 [1,1,0,0,0,0|1,0,0]=3 1544 B10R1.16 Cn1ccc(CCC=O)n1 Amb27944518 [1,1,0,0,0,0|2,0,0]=4 1545 B10R1.16 Cn1ccc(CCCO)c1 Amb18223708 [1,1,0,0,0,0|1,0,1]=4 1546 B10R1.16 Cn1ccc(CNC=O)c1 Amb27175193 [1,1,0,0,0,0|2,0,0]=4 1547 B10R1.16 Cn1cnc(CCC#N)c1 Amb33327013 [1,1,0,0,0,0|1,0,1]=4 1548 B10R1.16 Cn1cnc(CCCBr)c1 Amb25884674 [1,1,0,0,0,0|1,0,1]=4 1549 B10R1.16 Cn1cnc(CCCN)c1 Amb26505403 [1,1,0,0,0,0|1,0,1]=4 1550 B10R1.16 Cn1cnc(CCCO)c1 Amb25343793 [1,1,0,0,0,0|0,0,1]=3 1551 B10R1.16 Cn1cnc(CCCS)c1 Amb33323859 [1,1,0,0,0,0|0,1,1]=4 1552 B10R1.16 Cn1cnc(CCON)c1 Amb33324689 [1,1,0,0,0,0|2,0,0]=4 1553 B10R1.16 Cn1cnc(CN=C=O)c1 Amb33327012 [1,1,0,0,0,0|1,0,1]=4 1554 B10R1.16 Cn1cnc(\C=C\C=O)c1 Amb33359161 [1,1,0,0,0,0|0,0,2]=4 1555 B10R1.16 Cn1ncc(CCC=O)n1 Amb27476645 [1,1,0,0,0,0|1,0,1]=4 1556 B10R1.16 Nc1nc(CCCO)cs1 Amb27445737 [1,1,0,0,0,0|1,0,1]=4 1557 B10R1.16 O=CCCc1cc(Br)co1 Amb33431940 [1,1,0,0,0,0|2,0,0]=4 1558 B10R1.16 O=CCCc1cc(Br)cs1 Amb26363941 [1,1,0,0,0,0|2,0,0]=4 1559 B10R1.16 O=CCCc1cc(Cl)cs1 Amb33058557 [1,1,0,0,0,0|2,0,0]=4 1560 B10R1.16 O=CCCc1ccc(Br)o1 Amb24690247 [1,1,0,0,0,0|2,0,0]=4 1561 B10R1.16 O=CCCc1ccc(Br)s1 Amb26913485 [1,1,0,0,0,0|2,0,0]=4 1562 B10R1.16 O=CCCc1ccc(Cl)o1 Amb26916053 [1,1,0,0,0,0|2,0,0]=4 1563 B10R1.16 O=CCCc1ccc(Cl)s1 Amb18803947 [1,1,0,0,0,0|2,0,0]=4 1564 B10R1.16 O=CCCc1ccc(F)o1 Amb27240180 [1,1,0,0,0,0|2,0,0]=4 1565 B10R1.16 O=CCCc1cnc(Cl)s1 Amb33221352 [1,1,0,0,0,0|1,0,1]=4 1566 B10R1.16 O=CCCc1csc(Br)c1 Amb33433267 [1,1,0,0,0,0|2,0,0]=4 1567 B10R1.16 O=CCCc1csc(Br)n1 Amb25351974 [1,1,0,0,0,0|1,0,0]=3 1568 B10R1.16 O=CCCn1cc(Br)cn1 Amb27615015 [1,1,0,0,0,0|2,0,0]=4 1569 B10R1.16 O=CCCn1cc(Cl)cn1 Amb18787829 [1,1,0,0,0,0|2,0,0]=4 1570 B10R1.16 O=CCCn1cc(I)cn1 Amb27770380 [1,1,0,0,0,0|2,0,0]=4 1571 B10R1.16 OCCCc1csc(Br)n1 Amb33335504 [1,1,0,0,0,0|1,0,1]=4 1572 B10R1.16 OCCCc1csc(Cl)n1 Amb27638474 [1,1,0,0,0,0|1,0,1]=4 1573 B10R1.16 [C-]#[N+]CCc1cn(C)cn1 Amb33324731 [1,1,0,0,0,0|2,0,0]=4 1574 B10R1.21 C=CCNCc1cscn1 Amb18305311 [1,1,0,0,0,0|2,0,0]=4 1575 B10R1.21 O=C=NCCc1cscn1 Amb24538017 [1,1,0,0,0,0|1,0,1]=4 1576 B10R1.21 O=CCCCc1ccco1 Amb28050259 [1,1,0,0,0,0|2,0,0]=4 1577 B10R1.21 O=CCCCc1cccs1 Amb17089166 [1,1,0,0,0,0|2,0,0]=4 1578 B10R1.21 O=CCCCc1ccoc1 Amb25684248 [1,1,0,0,0,0|2,0,0]=4 1579 B10R1.21 O=CCCCc1ccon1 Amb33199364 [1,1,0,0,0,0|2,0,0]=4 1580 B10R1.21 O=CCCCc1ccsc1 Amb24415638 [1,1,0,0,0,0|2,0,0]=4 1581 B10R1.21 O=CCCCc1cnco1 Amb24478357 [1,1,0,0,0,0|1,0,1]=4 1582 B10R1.21 O=CCCCc1cncs1 Amb25073856 [1,1,0,0,0,0|1,0,1]=4 1583 B10R1.21 O=CCCCc1cscn1 Amb18644753 [1,1,0,0,0,0|1,0,0]=3 1584 B10R1.21 O=CCCCc1csnn1 Amb24613618 [1,1,0,0,0,0|2,0,0]=4 1585 B10R1.21 O=CCCCc1nccs1 Amb26345288 [1,1,0,0,0,0|2,0,0]=4 1586 B10R1.21 O=CCCCn1cccn1 Amb32726913 [1,1,0,0,0,0|2,0,0]=4 1587 B10R1.21 O=CCCCn1cncn1 Amb32725183 [1,1,0,0,0,0|1,0,1]=4 1588 B10R1.21 O=CCCSc1cccs1 Amb17082969 [1,1,0,0,0,0|2,0,0]=4 1589 B10R1.21 O=CNCCc1cccs1 Amb28141381 [1,1,0,0,0,0|2,0,0]=4 1590 B10R1.21 O=CNCCc1ccoc1 Amb29872332 [1,1,0,0,0,0|2,0,0]=4 1591 B10R1.21 O=CNCCn1cccn1 Amb28437295 [1,1,0,0,0,0|2,0,0]=4 1592 B10R1.27 CC(C=O)Cc1cncs1 Amb35612875 [1,1,0,0,0,0|1,0,1]=4 1593 B10R1.27 CC(C=O)Cc1cocn1 Amb28049871 [1,1,0,0,0,0|1,0,0]=3 1594 B10R1.27 CC(CO)Cc1cscn1 Amb27834199 [1,1,0,0,0,0|1,0,1]=4 1595 B10R1.27 C[C@H](C=O)Cc1ccco1 Amb27861368 [1,1,0,0,0,0|2,0,0]=4 1596 B10R1.27 NC(CO)Cc1cscn1 Amb24697508 [1,1,0,0,0,0|1,0,1]=4 1597 B10R1.27 O=CC(F)Cc1ccoc1 Amb27595657 [1,1,0,0,0,0|2,0,0]=4 1598 B10R1.27 O=CC(O)Cc1ccco1 Amb27174865 [1,1,0,0,0,0|2,0,0]=4 1599 B10R1.27 O=CC(O)Cc1nccs1 Amb27244061 [1,1,0,0,0,0|2,0,0]=4 1600 B10R1.29 Cc1ccnn1CCC=O Amb28454032 [1,1,0,0,0,0|2,0,0]=4 1601 B10R1.29 Cc1ccoc1CCC=O Amb33343122 [1,1,0,0,0,0|2,0,0]=4 1602 B10R1.29 Cc1ccsc1CCC=O Amb26454122 [1,1,0,0,0,0|2,0,0]=4 1603 B10R1.29 Cc1cocc1CCC=O Amb27854391 [1,1,0,0,0,0|2,0,0]=4 1604 B10R1.29 Cc1cscc1CCC=O Amb33146517 [1,1,0,0,0,0|2,0,0]=4 1605 B10R1.29 Cc1ncsc1CCC=O Amb24085273 [1,1,0,0,0,0|1,0,1]=4 1606 B10R1.29 Cc1occc1CCC=O Amb33274350 [1,1,0,0,0,0|2,0,0]=4 1607 B10R1.29 Cc1ocnc1CNC=O Amb27867614 [1,1,0,0,0,0|2,0,0]=4 1608 B10R1.29 Cc1sccc1CCC=O Amb27424876 [1,1,0,0,0,0|2,0,0]=4 1609 B10R1.29 Cn1cccc1CCC=O Amb26546875 [1,1,0,0,0,0|1,0,1]=4 1610 B10R1.29 Cn1cncc1CCC=O Amb26427934 [1,1,0,0,0,0|0,0,2]=4 1611 B10R1.29 O=CCCN1C=CNC1=O Amb27209783 [1,1,0,0,0,0|2,0,0]=4 1612 B10R1.29 O=CCCc1occc1Br Amb28194630 [1,1,0,0,0,0|2,0,0]=4 1613 B10R1.29 O=CCCc1sccc1Br Amb25838062 [1,1,0,0,0,0|2,0,0]=4 1614 B10R1.29 O=CCCc1sccc1Cl Amb26969365 [1,1,0,0,0,0|2,0,0]=4 1615 B10R1.29 O=CCCn1nccc1Cl Amb28145847 [1,1,0,0,0,0|2,0,0]=4 1616 B10R1.23 C=C(C(=O)O)c1cscn1 Amb33417853 [0,1,0,0,1,0|1,0,1]=4 1617 B10R1.23 CC(=O)C(C)c1cocn1 Amb18832113 [0,1,0,0,1,0|2,0,0]=4 1618 B10R1.23 CC(C(=O)O)c1ccco1 Amb17087431 [0,1,0,0,1,0|2,0,0]=4 1619 B10R1.23 CC(C(=O)O)c1cccs1 Amb10844027 [0,1,0,0,1,0|2,0,0]=4 1620 B10R1.23 CC(C(=O)O)c1ccoc1 Amb27954518 [0,1,0,0,1,0|2,0,0]=4 1621 B10R1.23 CC(C(=O)O)c1ccon1 Amb33226168 [0,1,0,0,1,0|2,0,0]=4 1622 B10R1.23 CC(C(=O)O)c1ccsc1 Amb18284449 [0,1,0,0,1,0|2,0,0]=4 1623 B10R1.23 CC(C(=O)O)c1ccsn1 Amb27223471 [0,1,0,0,1,0|2,0,0]=4 1624 B10R1.23 CC(C(=O)O)c1cnco1 Amb33295052 [0,1,0,0,1,0|1,0,1]=4 1625 B10R1.23 CC(C(=O)O)c1cncs1 Amb23580683 [0,1,0,0,1,0|1,0,1]=4 1626 B10R1.23 CC(C(=O)O)c1cocn1 Amb18202773 [0,1,0,0,1,0|1,0,0]=3 1627 B10R1.23 CC(C(=O)O)c1cscn1 Amb26398902 [0,1,0,0,1,0|1,0,0]=3 1628 B10R1.23 CC(C(=O)O)c1csnn1 Amb33321959 [0,1,0,0,1,0|2,0,0]=4 1629 B10R1.23 CC(C(=O)O)c1nccs1 Amb10844026 [0,1,0,0,1,0|2,0,0]=4 1630 B10R1.23 CC(C(=O)O)n1cccn1 Amb1138614 [0,1,0,0,1,0|2,0,0]=4 1631 B10R1.23 CC(C(=O)O)n1cccn1 Amb7969866 [0,1,0,0,1,0|2,0,0]=4 1632 B10R1.23 CC(C(=O)O)n1cncn1 Amb21954261 [0,1,0,0,1,0|1,0,1]=4 1633 B10R1.23 CC(C(=O)O)n1cncn1 Amb9708433 [0,1,0,0,1,0|1,0,1]=4 1634 B10R1.23 C[C@@H](C(=O)O)c1cccs1 Amb10844019 [0,1,0,0,1,0|2,0,0]=4 1635 B10R1.23 C[C@@H](C(=O)O)n1cccn1 Amb27751367 [0,1,0,0,1,0|2,0,0]=4 1636 B10R1.23 C[C@H](C(=O)O)c1ccco1 Amb27468877 [0,1,0,0,1,0|2,0,0]=4 1637 B10R1.23 NC(C(=O)O)c1ccco1 Amb2696257 [0,1,0,0,1,0|2,0,0]=4 1638 B10R1.23 NC(C(=O)O)c1cccs1 Amb1840251 [0,1,0,0,1,0|2,0,0]=4 1639 B10R1.23 NC(C(=O)O)c1ccon1 Amb18202657 [0,1,0,0,1,0|2,0,0]=4 1640 B10R1.23 NC(C(=O)O)c1ccsc1 Amb33549251 [0,1,0,0,1,0|2,0,0]=4 1641 B10R1.23 NC(C(=O)O)c1ccsc1 Amb9718858 [0,1,0,0,1,0|2,0,0]=4 1642 B10R1.23 NC(C(=O)O)c1cnco1 Amb18202656 [0,1,0,0,1,0|1,0,1]=4 1643 B10R1.23 NC(C(=O)O)c1cncs1 Amb18830497 [0,1,0,0,1,0|1,0,1]=4 1644 B10R1.23 NC(C(=O)O)c1cnon1 Amb18202493 [0,1,0,0,1,0|1,0,1]=4 1645 B10R1.23 NC(C(=O)O)c1cscn1 Amb18645003 [0,1,0,0,1,0|1,0,0]=3 1646 B10R1.23 NC(C(=O)O)c1cscn1 Amb35788158 [0,1,0,0,1,0|1,0,0]=3 1647 B10R1.23 NC(C(=O)O)c1csnn1 Amb24060289 [0,1,0,0,1,0|2,0,0]=4 1648 B10R1.23 NC(C(=O)O)c1ncsn1 Amb18830399 [0,1,0,0,1,0|2,0,0]=4 1649 B10R1.23 N[C@@H](C(=O)O)c1cccs1 Amb22747193 [0,1,0,0,1,0|2,0,0]=4 1650 B10R1.23 N[C@@H](C(=O)O)c1ccsc1 Amb22750704 [0,1,0,0,1,0|2,0,0]=4 1651 B10R1.23 N[C@H](C(=O)O)c1ccco1 Amb4296942 [0,1,0,0,1,0|2,0,0]=4 1652 B10R1.23 N[C@H](C(=O)O)c1cccs1 Amb2694806 [0,1,0,0,1,0|2,0,0]=4 1653 B10R1.23 N[C@H](C(=O)O)c1ccoc1 Amb27214171 [0,1,0,0,1,0|2,0,0]=4 1654 B10R1.23 N[C@H](C(=O)O)c1ccsc1 Amb16232233 [0,1,0,0,1,0|2,0,0]=4 1655 B10R1.23 N[C@H](C(=O)O)c1cncs1 Amb28136968 [0,1,0,0,1,0|1,0,1]=4 1656 B10R1.23 O=C(O)C(=O)c1cscn1 Amb18644891 [0,1,0,0,1,0|1,0,1]=4 1657 B10R1.23 O=C(O)C(Br)c1ccsc1 Amb27873590 [0,1,0,0,1,0|2,0,0]=4 1658 B10R1.23 O=C(O)C(Cl)c1cccs1 Amb17233234 [0,1,0,0,1,0|2,0,0]=4 1659 B10R1.23 O=C(O)C(Cl)c1ccsc1 Amb28138847 [0,1,0,0,1,0|2,0,0]=4 1660 B10R1.23 O=C(O)C(F)c1ccco1 Amb25825778 [0,1,0,0,1,0|2,0,0]=4 1661 B10R1.23 O=C(O)C(F)c1cccs1 Amb28193693 [0,1,0,0,1,0|2,0,0]=4 1662 B10R1.23 O=C(O)C(F)c1ccoc1 Amb26369748 [0,1,0,0,1,0|2,0,0]=4 1663 B10R1.23 O=C(O)C(F)c1ccsc1 Amb27952222 [0,1,0,0,1,0|2,0,0]=4 1664 B10R1.23 O=C(O)C(F)c1ccsn1 Amb27817009 [0,1,0,0,1,0|2,0,0]=4 1665 B10R1.23 O=C(O)C(F)c1cncs1 Amb29878194 [0,1,0,0,1,0|1,0,1]=4 1666 B10R1.23 O=C(O)C(F)c1cocn1 Amb27968038 [0,1,0,0,1,0|1,0,0]=3 1667 B10R1.23 O=C(O)C(F)c1cscn1 Amb25767685 [0,1,0,0,1,0|1,0,0]=3 1668 B10R1.23 O=C(O)C(F)c1nccs1 Amb32712926 [0,1,0,0,1,0|2,0,0]=4 1669 B10R1.23 O=C(O)C(F)n1cccn1 Amb24524322 [0,1,0,0,1,0|2,0,0]=4 1670 B10R1.23 O=C(O)C(O)c1ccco1 Amb597147 [0,1,0,0,1,0|2,0,0]=4 1671 B10R1.23 O=C(O)C(O)c1cccs1 Amb17232241 [0,1,0,0,1,0|2,0,0]=4 1672 B10R1.23 O=C(O)C(O)c1ccoc1 Amb10810585 [0,1,0,0,1,0|2,0,0]=4 1673 B10R1.23 O=C(O)C(O)c1ccon1 Amb33198783 [0,1,0,0,1,0|2,0,0]=4 1674 B10R1.23 O=C(O)C(O)c1ccsc1 Amb18952015 [0,1,0,0,1,0|2,0,0]=4 1675 B10R1.23 O=C(O)C(O)c1cnco1 Amb18202499 [0,1,0,0,1,0|1,0,1]=4 1676 B10R1.23 O=C(O)C(O)c1csnn1 Amb26451279 [0,1,0,0,1,0|2,0,0]=4 1677 B10R1.23 O=C(O)C(O)c1nccs1 Amb24478433 [0,1,0,0,1,0|2,0,0]=4 1678 B10R1.23 O=C(O)[C@H](O)c1cccs1 Amb27614848 [0,1,0,0,1,0|2,0,0]=4 1679 B10R1.54 CC(=O)Cc1ccn(C)c1 Amb18243431 [0,1,0,0,1,0|2,0,0]=4 1680 B10R1.54 CC(=O)Cc1cn(C)cn1 Amb33224218 [0,1,0,0,1,0|1,0,0]=3 1681 B10R1.54 CC(=O)Cc1cn(C)nn1 Amb24464290 [0,1,0,0,1,0|2,0,0]=4 1682 B10R1.54 CC(=O)Cc1coc(Cl)n1 Amb28246177 [0,1,0,0,1,0|2,0,0]=4 1683 B10R1.54 CC(=O)Cc1csc(Br)n1 Amb18766886 [0,1,0,0,1,0|2,0,0]=4 1684 B10R1.54 CC(=O)Cc1csc(N)n1 Amb18830764 [0,1,0,0,1,0|2,0,0]=4 1685 B10R1.54 CC(O)Cc1cn(C)cn1 Amb33324738 [0,1,0,0,1,0|1,0,1]=4 1686 B10R1.54 CC1=CCC(CC(=O)O)=C1 Amb28314099 [0,1,0,0,1,0|2,0,0]=4 1687 B10R1.54 CN(O)Cc1cn(C)cn1 Amb33325033 [0,1,0,0,1,0|2,0,0]=4 1688 B10R1.54 C[C@@H](O)Cc1cn(C)cn1 Amb33324677 [0,1,0,0,1,0|1,0,1]=4 1689 B10R1.54 C[C@H](O)Cc1cn(C)cn1 Amb33324678 [0,1,0,0,1,0|1,0,1]=4 1690 B10R1.54 Cc1cc(CC(=O)O)co1 Amb32713187 [0,1,0,0,1,0|2,0,0]=4 1691 B10R1.54 Cc1cc(CC(=O)O)cs1 Amb26844423 [0,1,0,0,1,0|2,0,0]=4 1692 B10R1.54 Cc1cc(CC(=O)O)no1 Amb17064157 [0,1,0,0,1,0|2,0,0]=4 1693 B10R1.54 Cc1cc(CC(=O)O)ns1 Amb18830635 [0,1,0,0,1,0|2,0,0]=4 1694 B10R1.54 Cc1ccc(CC(=O)O)o1 Amb18960367 [0,1,0,0,1,0|2,0,0]=4 1695 B10R1.54 Cc1ccc(CC(=O)O)s1 Amb2234463 [0,1,0,0,1,0|2,0,0]=4 1696 B10R1.54 Cc1ccn(CC(=O)O)n1 Amb1935095 [0,1,0,0,1,0|2,0,0]=4 1697 B10R1.54 Cc1ccn(CC(=O)O)n1 Amb32661699 [0,1,0,0,1,0|2,0,0]=4 1698 B10R1.54 Cc1cnc(CC(=O)O)o1 Amb18831795 [0,1,0,0,1,0|2,0,0]=4 1699 B10R1.54 Cc1cnc(CC(=O)O)s1 Amb18286622 [0,1,0,0,1,0|2,0,0]=4 1700 B10R1.54 Cc1cnn(CC(=O)O)c1 Amb1945752 [0,1,0,0,1,0|2,0,0]=4 1701 B10R1.54 Cc1cnn(CC(=O)O)c1 Amb22587129 [0,1,0,0,1,0|2,0,0]=4 1702 B10R1.54 Cc1coc(CC(=O)O)c1 Amb18831942 [0,1,0,0,1,0|2,0,0]=4 1703 B10R1.54 Cc1coc(CC(=O)O)n1 Amb18831793 [0,1,0,0,1,0|2,0,0]=4 1704 B10R1.54 Cc1csc(CC(=O)O)c1 Amb8010099 [0,1,0,0,1,0|2,0,0]=4 1705 B10R1.54 Cc1csc(CC(=O)O)n1 Amb3978737 [0,1,0,0,1,0|2,0,0]=4 1706 B10R1.54 Cc1nc(CC(=O)O)co1 Amb6316134 [0,1,0,0,1,0|1,0,0]=3 1707 B10R1.54 Cc1nc(CC(=O)O)cs1 Amb1105673 [0,1,0,0,1,0|1,0,0]=3 1708 B10R1.54 Cc1nc(CC(=O)O)no1 Amb8010151 [0,1,0,0,1,0|2,0,0]=4 1709 B10R1.54 Cc1nc(CC(=O)O)ns1 Amb18830499 [0,1,0,0,1,0|2,0,0]=4 1710 B10R1.54 Cc1nc(CC(=O)[O-])cs1 Amb449713 [0,1,0,0,1,0|1,0,1]=4 1711 B10R1.54 Cc1nc(CC(N)=O)cs1 Amb2793721 [0,1,0,0,1,0|2,0,0]=4 1712 B10R1.54 Cc1ncc(CC(=O)O)o1 Amb18202766 [0,1,0,0,1,0|1,0,1]=4 1713 B10R1.54 Cc1ncc(CC(=O)O)s1 Amb33542460 [0,1,0,0,1,0|1,0,1]=4 1714 B10R1.54 Cc1ncn(CC(=O)O)n1 Amb18254893 [0,1,0,0,1,0|1,0,1]=4 1715 B10R1.54 Cc1noc(CC(=O)O)n1 Amb17399871 [0,1,0,0,1,0|1,0,1]=4 1716 B10R1.54 Cc1nsc(CC(=O)O)n1 Amb18830502 [0,1,0,0,1,0|1,0,1]=4 1717 B10R1.54 Cn1cc(CC(=O)O)cn1 Amb29083420 [0,1,0,0,1,0|2,0,0]=4 1718 B10R1.54 Cn1cc(CC(=O)O)cn1 Amb33552492 [0,1,0,0,1,0|2,0,0]=4 1719 B10R1.54 Cn1cc(CC(=O)O)nn1 Amb23570371 [0,1,0,0,1,0|1,0,0]=3 1720 B10R1.54 Cn1cc(CC(=O)O)nn1 Amb32645969 [0,1,0,0,1,0|1,0,0]=3 1721 B10R1.54 Cn1cc[n+](CC(=O)O)c1 Amb10573098 [0,1,0,0,1,0|2,0,0]=4 1722 B10R1.54 Cn1ccc(CC(=O)O)c1 Amb18064824 [0,1,0,0,1,0|1,0,0]=3 1723 B10R1.54 Cn1ccc(CC(=O)O)n1 Amb16229976 [0,1,0,0,1,0|2,0,0]=4 1724 B10R1.54 Cn1ccc(CC(=O)O)n1 Amb29083378 [0,1,0,0,1,0|2,0,0]=4 1725 B10R1.54 Cn1ccc(CC(N)=O)c1 Amb18893402 [0,1,0,0,1,0|2,0,0]=4 1726 B10R1.54 Cn1cnc(CC(=N)N)c1 Amb33323856 [0,1,0,0,1,0|2,0,0]=4 1727 B10R1.54 Cn1cnc(CC(=O)O)c1 Amb13883551 [0,1,0,0,1,0|0,0,0]=2 1728 B10R1.54 Cn1cnc(CC(=O)O)c1 Amb22295902 [0,1,0,0,1,0|0,0,0]=2 1729 B10R1.54 Cn1cnc(CC(=O)O)n1 Amb18202757 [0,1,0,0,1,0|1,0,0]=3 1730 B10R1.54 Cn1cnc(CC(N)=S)c1 Amb27964413 [0,1,0,0,1,0|1,1,0]=4 1731 B10R1.54 Cn1cnc(C[N+](=O)[O-])c1 Amb33324405 [0,1,0,0,1,0|1,0,1]=4 1732 B10R1.54 Cn1ncc(CC(=O)O)n1 Amb23541048 [0,1,0,0,1,0|1,0,1]=4 1733 B10R1.54 Cn1nnc(CC(=O)O)n1 Amb18063132 [0,1,0,0,1,0|2,0,0]=4 1734 B10R1.54 NC(=O)Cc1csc(Br)n1 Amb22495405 [0,1,0,0,1,0|2,0,0]=4 1735 B10R1.54 NC(=O)Cc1csc(Cl)n1 Amb28042932 [0,1,0,0,1,0|2,0,0]=4 1736 B10R1.54 NC(=O)Cc1csc(I)n1 Amb27240281 [0,1,0,0,1,0|2,0,0]=4 1737 B10R1.54 NC(=O)Cc1csc(N)n1 Amb449717 [0,1,0,0,1,0|2,0,0]=4 1738 B10R1.54 Nc1cc(CC(=O)O)no1 Amb27645726 [0,1,0,0,1,0|2,0,0]=4 1739 B10R1.54 Nc1ccn(CC(=O)O)n1 Amb22280389 [0,1,0,0,1,0|2,0,0]=4 1740 B10R1.54 Nc1ccn(CC(=O)O)n1 Amb6888707 [0,1,0,0,1,0|2,0,0]=4 1741 B10R1.54 Nc1cnn(CC(=O)O)c1 Amb21961626 [0,1,0,0,1,0|2,0,0]=4 1742 B10R1.54 Nc1cnn(CC(=O)O)c1 Amb22280386 [0,1,0,0,1,0|2,0,0]=4 1743 B10R1.54 Nc1cnn(CC(=O)O)c1 Amb6889038 [0,1,0,0,1,0|2,0,0]=4 1744 B10R1.54 Nc1csc(CC(=O)O)c1 Amb18830633 [0,1,0,0,1,0|2,0,0]=4 1745 B10R1.54 Nc1nc(CC(=O)Cl)cs1 Amb26583821 [0,1,0,0,1,0|2,0,0]=4 1746 B10R1.54 Nc1nc(CC(=O)O)cs1 Amb535456 [0,1,0,0,1,0|1,0,0]=3 1747 B10R1.54 Nc1nc(CC(=O)O)cs1 Amb8390750 [0,1,0,0,1,0|1,0,0]=3 1748 B10R1.54 Nc1nc(CC(=O)O)ns1 Amb18199877 [0,1,0,0,1,0|2,0,0]=4 1749 B10R1.54 Nc1ncc(CC(=O)O)o1 Amb18202644 [0,1,0,0,1,0|1,0,1]=4 1750 B10R1.54 Nc1ncc(CC(=O)O)s1 Amb5751223 [0,1,0,0,1,0|1,0,1]=4 1751 B10R1.54 Nc1ncn(CC(=O)O)n1 Amb28555434 [0,1,0,0,1,0|1,0,1]=4 1752 B10R1.54 Nc1ncn(CC(=O)O)n1 Amb6888712 [0,1,0,0,1,0|1,0,1]=4 1753 B10R1.54 Nc1noc(CC(=O)O)n1 Amb18202492 [0,1,0,0,1,0|1,0,1]=4 1754 B10R1.54 O=C(Cl)Cc1csc(Cl)n1 Amb26567640 [0,1,0,0,1,0|2,0,0]=4 1755 B10R1.54 O=C(O)CC1=CC(=O)NN1 Amb18202650 [0,1,0,0,1,0|2,0,0]=4 1756 B10R1.54 O=C(O)CC1=CC(=O)NO1 Amb18831605 [0,1,0,0,1,0|2,0,0]=4 1757 B10R1.54 O=C(O)CC1=CSC(=O)N1 Amb18534615 [0,1,0,0,1,0|1,0,1]=4 1758 B10R1.54 O=C(O)CC1=CSC(=O)S1 Amb27955216 [0,1,0,0,1,0|2,0,0]=4 1759 B10R1.54 O=C(O)CC1=NC(=O)CS1 Amb9774271 [0,1,0,0,1,0|2,0,0]=4 1760 B10R1.54 O=C(O)CC1=NNC(=O)C1 Amb8826416 [0,1,0,0,1,0|2,0,0]=4 1761 B10R1.54 O=C(O)CC1=NNC(=O)N1 Amb18282699 [0,1,0,0,1,0|1,0,1]=4 1762 B10R1.54 O=C(O)Cc1cc(Br)co1 Amb33335215 [0,1,0,0,1,0|2,0,0]=4 1763 B10R1.54 O=C(O)Cc1cc(Br)cs1 Amb10069924 [0,1,0,0,1,0|2,0,0]=4 1764 B10R1.54 O=C(O)Cc1cc(Cl)cs1 Amb26599631 [0,1,0,0,1,0|2,0,0]=4 1765 B10R1.54 O=C(O)Cc1cc(Cl)on1 Amb24480665 [0,1,0,0,1,0|2,0,0]=4 1766 B10R1.54 O=C(O)Cc1cc(O)on1 Amb23504423 [0,1,0,0,1,0|2,0,0]=4 1767 B10R1.54 O=C(O)Cc1ccc(Br)o1 Amb26028263 [0,1,0,0,1,0|2,0,0]=4 1768 B10R1.54 O=C(O)Cc1ccc(Br)s1 Amb2237320 [0,1,0,0,1,0|2,0,0]=4 1769 B10R1.54 O=C(O)Cc1ccc(Cl)o1 Amb27868697 [0,1,0,0,1,0|2,0,0]=4 1770 B10R1.54 O=C(O)Cc1ccc(Cl)s1 Amb2235520 [0,1,0,0,1,0|2,0,0]=4 1771 B10R1.54 O=C(O)Cc1ccc(F)o1 Amb25842555 [0,1,0,0,1,0|2,0,0]=4 1772 B10R1.54 O=C(O)Cc1ccc(F)s1 Amb24269131 [0,1,0,0,1,0|2,0,0]=4 1773 B10R1.54 O=C(O)Cc1ccc(I)o1 Amb24622567 [0,1,0,0,1,0|2,0,0]=4 1774 B10R1.54 O=C(O)Cc1cnc(Br)s1 Amb18161036 [0,1,0,0,1,0|1,0,1]=4 1775 B10R1.54 O=C(O)Cc1cnc(Cl)o1 Amb28199010 [0,1,0,0,1,0|1,0,1]=4 1776 B10R1.54 O=C(O)Cc1cnc(Cl)s1 Amb26987732 [0,1,0,0,1,0|1,0,1]=4 1777 B10R1.54 O=C(O)Cc1cnc(O)s1 Amb27757499 [0,1,0,0,1,0|1,0,1]=4 1778 B10R1.54 O=C(O)Cc1coc(Br)c1 Amb28122049 [0,1,0,0,1,0|2,0,0]=4 1779 B10R1.54 O=C(O)Cc1coc(Cl)n1 Amb27229258 [0,1,0,0,1,0|1,0,0]=3 1780 B10R1.54 O=C(O)Cc1csc(Br)c1 Amb25312095 [0,1,0,0,1,0|2,0,0]=4 1781 B10R1.54 O=C(O)Cc1csc(Br)n1 Amb17405994 [0,1,0,0,1,0|1,0,0]=3 1782 B10R1.54 O=C(O)Cc1csc(Cl)c1 Amb5719931 [0,1,0,0,1,0|2,0,0]=4 1783 B10R1.54 O=C(O)Cc1csc(Cl)n1 Amb23439991 [0,1,0,0,1,0|1,0,0]=3 1784 B10R1.54 O=C(O)Cc1csc(S)n1 Amb2797874 [0,1,0,0,1,0|1,0,0]=3 1785 B10R1.54 O=C(O)Cc1nc(Br)no1 Amb18176393 [0,1,0,0,1,0|1,0,1]=4 1786 B10R1.54 O=C(O)Cc1nc(Cl)co1 Amb18829877 [0,1,0,0,1,0|2,0,0]=4 1787 B10R1.54 O=C(O)Cc1nc(Cl)cs1 Amb27494965 [0,1,0,0,1,0|2,0,0]=4 1788 B10R1.54 O=C(O)Cc1nc(Cl)no1 Amb27638268 [0,1,0,0,1,0|1,0,1]=4 1789 B10R1.54 O=C(O)Cc1nc(O)cs1 Amb35710164 [0,1,0,0,1,0|2,0,0]=4 1790 B10R1.54 O=C(O)Cc1ncc(Br)s1 Amb27812892 [0,1,0,0,1,0|2,0,0]=4 1791 B10R1.54 O=C(O)Cc1ncc(Cl)s1 Amb23439705 [0,1,0,0,1,0|2,0,0]=4 1792 B10R1.54 O=C(O)Cc1ncc(I)s1 Amb27614866 [0,1,0,0,1,0|2,0,0]=4 1793 B10R1.54 O=C(O)Cn1cc(Br)cn1 Amb1946097 [0,1,0,0,1,0|2,0,0]=4 1794 B10R1.54 O=C(O)Cn1cc(Cl)cn1 Amb6336000 [0,1,0,0,1,0|2,0,0]=4 1795 B10R1.54 O=C(O)Cn1cc(F)cn1 Amb23400566 [0,1,0,0,1,0|2,0,0]=4 1796 B10R1.54 O=C(O)Cn1cc(I)cn1 Amb16186677 [0,1,0,0,1,0|2,0,0]=4 1797 B10R1.54 O=C(O)Cn1ccc(Br)n1 Amb20619995 [0,1,0,0,1,0|2,0,0]=4 1798 B10R1.54 O=C(O)Cn1cnc(Br)n1 Amb22741334 [0,1,0,0,1,0|1,0,1]=4 1799 B10R1.54 O=C(O)Cn1cnc(Cl)n1 Amb4132299 [0,1,0,0,1,0|1,0,1]=4 1800 B10R1.54 O=C(O)Cn1cnc(I)n1 Amb22894908 [0,1,0,0,1,0|1,0,1]=4 1801 B10R1.54 O=C(O)Cn1cnc(O)n1 Amb22895292 [0,1,0,0,1,0|1,0,1]=4 1802 B10R1.64 CC(=O)CC1=NNNC1=O Amb28132239 [0,1,0,0,1,0|2,0,0]=4 1803 B10R1.64 Cc1ccnn1CC(=O)O Amb1946376 [0,1,0,0,1,0|2,0,0]=4 1804 B10R1.64 Cc1ccoc1CC(=O)O Amb27787871 [0,1,0,0,1,0|2,0,0]=4 1805 B10R1.64 Cc1ccsc1CC(=O)O Amb33530091 [0,1,0,0,1,0|2,0,0]=4 1806 B10R1.64 Cc1cocc1CC(=O)O Amb25025435 [0,1,0,0,1,0|2,0,0]=4 1807 B10R1.64 Cc1conc1CC(=O)O Amb26339842 [0,1,0,0,1,0|2,0,0]=4 1808 B10R1.64 Cc1cscc1CC(=O)O Amb26361233 [0,1,0,0,1,0|2,0,0]=4 1809 B10R1.64 Cc1ncnn1CC(=O)O Amb18254896 [0,1,0,0,1,0|1,0,1]=4 1810 B10R1.64 Cc1ncoc1CC(=O)O Amb17399865 [0,1,0,0,1,0|1,0,1]=4 1811 B10R1.64 Cc1ncsc1CC(=O)O Amb8385791 [0,1,0,0,1,0|1,0,1]=4 1812 B10R1.64 Cc1nonc1CC(=O)O Amb1099155 [0,1,0,0,1,0|1,0,1]=4 1813 B10R1.64 Cc1occc1CC(=O)O Amb17593534 [0,1,0,0,1,0|2,0,0]=4 1814 B10R1.64 Cc1ocnc1CC(=O)O Amb33624646 [0,1,0,0,1,0|1,0,0]=3 1815 B10R1.64 Cc1onnc1CC(=O)O Amb27843672 [0,1,0,0,1,0|2,0,0]=4 1816 B10R1.64 Cc1sccc1CC(=O)O Amb4141718 [0,1,0,0,1,0|2,0,0]=4 1817 B10R1.64 Cn1cccc1CC(=O)O Amb33529881 [0,1,0,0,1,0|1,0,1]=4 1818 B10R1.64 Cn1ccnc1CC(=O)O Amb17106786 [0,1,0,0,1,0|2,0,0]=4 1819 B10R1.64 Cn1ccnc1CC(=O)O Amb28895979 [0,1,0,0,1,0|2,0,0]=4 1820 B10R1.64 Cn1cncc1CC(=O)O Amb18202884 [0,1,0,0,1,0|0,0,2]=4 1821 B10R1.64 Cn1cncc1CC(=O)O Amb28555500 [0,1,0,0,1,0|0,0,2]=4 1822 B10R1.64 Cn1ncnc1CC(=O)O Amb18287001 [0,1,0,0,1,0|1,0,1]=4 1823 B10R1.64 Cn1ncnc1CC(=O)O Amb32652786 [0,1,0,0,1,0|1,0,1]=4 1824 B10R1.64 Nc1ccnn1CC(=O)O Amb24594873 [0,1,0,0,1,0|2,0,0]=4 1825 B10R1.64 Nc1ccnn1CC(=O)O Amb32687523 [0,1,0,0,1,0|2,0,0]=4 1826 B10R1.64 Nc1ccoc1CC(=O)O Amb18202764 [0,1,0,0,1,0|2,0,0]=4 1827 B10R1.64 Nc1ccsc1CC(=O)O Amb22499925 [0,1,0,0,1,0|2,0,0]=4 1828 B10R1.64 Nc1ncnn1CC(=O)O Amb26479874 [0,1,0,0,1,0|1,0,1]=4 1829 B10R1.64 Nc1nonc1CC(=O)O Amb575264 [0,1,0,0,1,0|1,0,1]=4 1830 B10R1.64 Nc1sccc1CC(=O)O Amb18830628 [0,1,0,0,1,0|2,0,0]=4 1831 B10R1.64 Nc1snnc1CC(=O)O Amb28458481 [0,1,0,0,1,0|2,0,0]=4 1832 B10R1.64 Nn1ccnc1CC(=O)O Amb26960372 [0,1,0,0,1,0|2,0,0]=4 1833 B10R1.64 O=C(O)CC1=CCNC1=O Amb25125935 [0,1,0,0,1,0|1,0,1]=4 1834 B10R1.64 O=C(O)CC1=CNNC1=O Amb20036826 [0,1,0,0,1,0|2,0,0]=4 1835 B10R1.64 O=C(O)CN1N=CNC1=O Amb27208300 [0,1,0,0,1,0|1,0,0]=3 1836 B10R1.64 O=C(O)CN1N=COC1=O Amb28193793 [0,1,0,0,1,0|2,0,0]=4 1837 B10R1.64 O=C(O)Cc1ccsc1Br Amb18765498 [0,1,0,0,1,0|2,0,0]=4 1838 B10R1.64 O=C(O)Cc1ccsc1Cl Amb23504442 [0,1,0,0,1,0|2,0,0]=4 1839 B10R1.64 O=C(O)Cc1ccsc1F Amb27876676 [0,1,0,0,1,0|2,0,0]=4 1840 B10R1.64 O=C(O)Cc1cscc1Br Amb25062150 [0,1,0,0,1,0|2,0,0]=4 1841 B10R1.64 O=C(O)Cc1cscc1Cl Amb32713273 [0,1,0,0,1,0|2,0,0]=4 1842 B10R1.64 O=C(O)Cc1ncsc1Br Amb28384629 [0,1,0,0,1,0|1,0,0]=3 1843 B10R1.64 O=C(O)Cc1nocc1Cl Amb27215557 [0,1,0,0,1,0|2,0,0]=4 1844 B10R1.64 O=C(O)Cc1nonc1O Amb10552405 [0,1,0,0,1,0|1,0,1]=4 1845 B10R1.64 O=C(O)Cc1occc1Br Amb18176122 [0,1,0,0,1,0|2,0,0]=4 1846 B10R1.64 O=C(O)Cc1occc1Cl Amb27465098 [0,1,0,0,1,0|2,0,0]=4 1847 B10R1.64 O=C(O)Cc1sccc1Br Amb18283686 [0,1,0,0,1,0|2,0,0]=4 1848 B10R1.64 O=C(O)Cc1sccc1Cl Amb27160571 [0,1,0,0,1,0|2,0,0]=4 1849 B10R1.64 O=C(O)Cc1scnc1Br Amb18161023 [0,1,0,0,1,0|1,0,1]=4 1850 B10R1.64 O=C(O)Cn1nccc1Cl Amb27870840 [0,1,0,0,1,0|2,0,0]=4 1851 B10R1.204 NC(CC1=CCC1)C(=O)O Amb28239360 [0,1,0,0,1,0|1,0,1]=4 1852 B12R1.21 CC(=O)CCc1ccc(Br)cn1 Amb25729593 [0,1,0,0,0,1|2,0,0]=4 1853 B12R1.21 CC(=O)CCc1ccc(Br)nc1 Amb33388890 [0,1,0,0,0,1|2,0,0]=4 1854 B12R1.21 CC(=O)CCc1ccc(C)cn1 Amb26963678 [0,1,0,0,0,1|2,0,0]=4 1855 B12R1.21 CC(=O)CCc1ccc(C)nc1 Amb25197877 [0,1,0,0,0,1|2,0,0]=4 1856 B12R1.21 CC(=O)CCc1ccc(Cl)cn1 Amb33261956 [0,1,0,0,0,1|2,0,0]=4 1857 B12R1.21 CC(=O)CCc1ccc(Cl)nc1 Amb25725533 [0,1,0,0,0,1|2,0,0]=4 1858 B12R1.21 CC(=O)CCc1ccc(F)cn1 Amb33172676 [0,1,0,0,0,1|2,0,0]=4 1859 B12R1.21 CC(=O)CCc1ccc(F)nc1 Amb27471964 [0,1,0,0,0,1|2,0,0]=4 1860 B12R1.21 CC(=O)CCc1cnc(C)cn1 Amb33378067 [0,1,0,0,0,1|1,0,1]=4 1861 B12R1.21 CC(=O)CCc1ncc(Br)cn1 Amb33335109 [0,1,0,0,0,1|2,0,0]=4 1862 B12R1.21 CN1C=CC(=NCC(=O)O)C=C1 Amb28434721 [0,1,0,0,0,1|2,0,0]=4 1863 B12R1.21 Cc1ccc(CCC(=O)O)cc1 Amb1225383 [0,1,0,0,0,1|2,0,0]=4 1864 B12R1.21 Cc1ccc(CCC(=O)O)cn1 Amb18828437 [0,1,0,0,0,1|1,0,0]=3 1865 B12R1.21 Cc1ccc(CCC(=O)O)nc1 Amb22886574 [0,1,0,0,0,1|1,0,0]=3 1866 B12R1.21 Cc1ccc(CCC(=O)O)nn1 Amb8011559 [0,1,0,0,0,1|1,0,0]=3 1867 B12R1.21 Cc1ccc(OCC(=O)O)cn1 Amb18991754 [0,1,0,0,0,1|2,0,0]=4 1868 B12R1.21 Cc1ccc(OCC(=O)O)nc1 Amb24359369 [0,1,0,0,0,1|2,0,0]=4 1869 B12R1.21 Cc1ccc(OCC(=O)O)nn1 Amb13783648 [0,1,0,0,0,1|2,0,0]=4 1870 B12R1.21 Cc1ccc(SCC(=O)O)nc1 Amb6260300 [0,1,0,0,0,1|2,0,0]=4 1871 B12R1.21 Cc1cnc(CCC(=O)O)cn1 Amb18827880 [0,1,0,0,0,1|0,0,1]=3 1872 B12R1.21 Cc1cnc(CCC(=O)O)nc1 Amb26026209 [0,1,0,0,0,1|1,0,0]=3 1873 B12R1.21 Cc1cnc(CCC(=O)O)nn1 Amb18827301 [0,1,0,0,0,1|1,0,1]=4 1874 B12R1.21 Cc1cnc(NCC(=O)O)nc1 Amb28324776 [0,1,0,0,0,1|2,0,0]=4 1875 B12R1.21 Cc1cnc(OCC(=O)O)cn1 Amb33376944 [0,1,0,0,0,1|1,0,1]=4 1876 B12R1.21 Cc1ncc(NCC(=O)O)cn1 Amb27872644 [0,1,0,0,0,1|1,0,1]=4 1877 B12R1.21 Cc1ncc(OCC(=O)O)cn1 Amb8009334 [0,1,0,0,0,1|1,0,1]=4 1878 B12R1.21 NC(=O)CCC1=NNC(=O)C=C1 Amb27770005 [0,1,0,0,0,1|2,0,0]=4 1879 B12R1.21 Nc1ccc(CCC(=O)O)cc1 Amb30588024 [0,1,0,0,0,1|2,0,0]=4 1880 B12R1.21 Nc1ccc(CCC(=O)O)cc1 Amb6315800 [0,1,0,0,0,1|2,0,0]=4 1881 B12R1.21 Nc1ccc(CCC(=O)O)cn1 Amb19958679 [0,1,0,0,0,1|1,0,0]=3 1882 B12R1.21 Nc1ccc(CCC(=O)O)cn1 Amb22546430 [0,1,0,0,0,1|1,0,0]=3 1883 B12R1.21 Nc1ccc(CCC(=O)O)nc1 Amb24663664 [0,1,0,0,0,1|1,0,0]=3 1884 B12R1.21 Nc1ccc(NCC(=O)O)cn1 Amb18987715 [0,1,0,0,0,1|2,0,0]=4 1885 B12R1.21 Nc1ccc(NCC(=O)O)nc1 Amb17041212 [0,1,0,0,0,1|2,0,0]=4 1886 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Amb25980784 [0,1,0,0,0,1|1,0,0]=3 1887 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Amb28600252 [0,1,0,0,0,1|1,0,0]=3 1888 B12R1.21 O=C(O)CCC1=CNC(=O)C=C1 Amb32757591 [0,1,0,0,0,1|1,0,0]=3 1889 B12R1.21 O=C(O)CCC1=NN=C(O)CC1 Amb19864608 [0,1,0,0,0,1|1,0,1]=4 1890 B12R1.21 O=C(O)CCC1=NNC(=O)C=C1 Amb18212062 [0,1,0,0,0,1|1,0,0]=3 1891 B12R1.21 O=C(O)CCC1=NNC(=O)CC1 Amb656849 [0,1,0,0,0,1|1,0,1]=4 1892 B12R1.21 O=C(O)CCc1ccc(Br)cc1 Amb1220330 [0,1,0,0,0,1|2,0,0]=4 1893 B12R1.21 O=C(O)CCc1ccc(Br)cn1 Amb28323137 [0,1,0,0,0,1|1,0,0]=3 1894 B12R1.21 O=C(O)CCc1ccc(Br)nc1 Amb22292277 [0,1,0,0,0,1|1,0,0]=3 1895 B12R1.21 O=C(O)CCc1ccc(Cl)cc1 Amb1093991 [0,1,0,0,0,1|2,0,0]=4 1896 B12R1.21 O=C(O)CCc1ccc(Cl)cn1 Amb26633045 [0,1,0,0,0,1|1,0,0]=3 1897 B12R1.21 O=C(O)CCc1ccc(Cl)nc1 Amb18649204 [0,1,0,0,0,1|1,0,0]=3 1898 B12R1.21 O=C(O)CCc1ccc(Cl)nc1 Amb28555773 [0,1,0,0,0,1|1,0,0]=3 1899 B12R1.21 O=C(O)CCc1ccc(F)cc1 Amb1214879 [0,1,0,0,0,1|2,0,0]=4 1900 B12R1.21 O=C(O)CCc1ccc(F)cn1 Amb26927594 [0,1,0,0,0,1|1,0,0]=3 1901 B12R1.21 O=C(O)CCc1ccc(F)cn1 Amb33620714 [0,1,0,0,0,1|1,0,0]=3 1902 B12R1.21 O=C(O)CCc1ccc(F)nc1 Amb22886575 [0,1,0,0,0,1|1,0,0]=3 1903 B12R1.21 O=C(O)CCc1ccc(I)cc1 Amb6297807 [0,1,0,0,0,1|2,0,0]=4 1904 B12R1.21 O=C(O)CCc1ccc(O)cc1 Amb533172 [0,1,0,0,0,1|2,0,0]=4 1905 B12R1.21 O=C(O)CCc1ccc(O)nn1 Amb21937853 [0,1,0,0,0,1|1,0,0]=3 1906 B12R1.21 O=C(O)CCc1ccc(S)cc1 Amb6296145 [0,1,0,0,0,1|2,0,0]=4 1907 B12R1.21 O=C(O)CCc1cnc(Cl)cn1 Amb25993889 [0,1,0,0,0,1|0,0,1]=3 1908 B12R1.21 O=C(O)CCc1cnc(O)cn1 Amb27194915 [0,1,0,0,0,1|0,0,1]=3 1909 B12R1.21 O=C(O)CCc1ncc(Br)cn1 Amb27437152 [0,1,0,0,0,1|1,0,0]=3 1910 B12R1.21 O=C(O)CCc1ncc(F)cn1 Amb24673852 [0,1,0,0,0,1|1,0,0]=3 1911 B12R1.21 O=C(O)CNc1ccc(Cl)nn1 Amb843109 [0,1,0,0,0,1|2,0,0]=4 1912 B12R1.21 O=C(O)CNc1cnc(Cl)cn1 Amb28057834 [0,1,0,0,0,1|1,0,1]=4 1913 B12R1.21 O=C(O)CNc1ncc(F)cn1 Amb28282011 [0,1,0,0,0,1|2,0,0]=4 1914 B12R1.21 O=C(O)COC1=NNC(=O)C=C1 Amb17933903 [0,1,0,0,0,1|2,0,0]=4 1915 B12R1.21 O=C(O)COc1ccc(Br)cn1 Amb8439031 [0,1,0,0,0,1|2,0,0]=4 1916 B12R1.21 O=C(O)COc1ccc(Br)nc1 Amb32946300 [0,1,0,0,0,1|2,0,0]=4 1917 B12R1.21 O=C(O)COc1ccc(Br)nn1 Amb28244291 [0,1,0,0,0,1|2,0,0]=4 1918 B12R1.21 O=C(O)COc1ccc(Cl)cn1 Amb33543498 [0,1,0,0,0,1|2,0,0]=4 1919 B12R1.21 O=C(O)COc1ccc(Cl)nc1 Amb28138011 [0,1,0,0,0,1|2,0,0]=4 1920 B12R1.21 O=C(O)COc1ccc(Cl)nn1 Amb2819552 [0,1,0,0,0,1|2,0,0]=4 1921 B12R1.21 O=C(O)COc1ccc(F)cn1 Amb24748685 [0,1,0,0,0,1|2,0,0]=4 1922 B12R1.21 O=C(O)COc1ccc(F)nc1 Amb26424670 [0,1,0,0,0,1|2,0,0]=4 1923 B12R1.21 O=C(O)COc1cnc(Br)cn1 Amb32946307 [0,1,0,0,0,1|1,0,1]=4 1924 B12R1.21 O=C(O)COc1ncc(Br)cn1 Amb22495969 [0,1,0,0,0,1|2,0,0]=4 1925 B12R1.21 O=C(O)COc1ncc(Cl)cn1 Amb25050767 [0,1,0,0,0,1|2,0,0]=4 1926 B12R1.21 O=C(O)CSC1=NNC(=O)C=C1 Amb18538521 [0,1,0,0,0,1|2,0,0]=4 1927 B12R1.21 O=C(O)CSC1=NNC(=S)C=C1 Amb24682683 [0,1,0,0,0,1|2,0,0]=4 1928 B12R1.21 O=C(O)CSc1ccc(Br)cn1 Amb6273364 [0,1,0,0,0,1|2,0,0]=4 1929 B12R1.21 O=C(O)CSc1ccc(Cl)nn1 Amb2819553 [0,1,0,0,0,1|2,0,0]=4 1930 B12R1.21 O=C(O)CSc1ncc(Br)cn1 Amb5751209 [0,1,0,0,0,1|2,0,0]=4 1931 B12R1.21 O=C(O)CSc1ncc(Cl)cn1 Amb24113231 [0,1,0,0,0,1|2,0,0]=4 1932 B12R1.21 O=C(O)CSc1ncc(F)cn1 Amb27770991 [0,1,0,0,0,1|2,0,0]=4 1933 B12R1.21 O=C(O)NCc1ccc(Cl)nc1 Amb24068954 [0,1,0,0,0,1|2,0,0]=4 1934 B12R1.27 C#CC(=O)CCc1ccccn1 Amb27411050 [0,1,0,0,0,1|2,0,0]=4 1935 B12R1.27 CNC(=O)CCc1cccnc1 Amb27256880 [0,1,0,0,0,1|2,0,0]=4 1936 B12R1.27 CNC(=O)CCc1ccncn1 Amb27982663 [0,1,0,0,0,1|1,0,1]=4 1937 B12R1.27 CNC(=O)CCc1ncccn1 Amb28291945 [0,1,0,0,0,1|2,0,0]=4 1938 B12R1.27 COC(=N)CCc1ccccn1 Amb18563625 [0,1,0,0,0,1|2,0,0]=4 1939 B12R1.27 COC(=N)CCc1cccnc1 Amb18563630 [0,1,0,0,0,1|2,0,0]=4 1940 B12R1.27 COC(=O)CCc1ccccc1 Amb843216 [0,1,0,0,0,1|2,0,0]=4 1941 B12R1.27 COC(=O)CCc1cccnc1 Amb6357821 [0,1,0,0,0,1|1,0,0]=3 1942 B12R1.27 COC(=O)CCc1ccncc1 Amb10604945 [0,1,0,0,0,1|1,0,1]=4 1943 B12R1.27 COC(=O)CCc1cncnc1 Amb21922892 [0,1,0,0,0,1|0,0,1]=3 1944 B12R1.27 COC(=O)CNc1ccccn1 Amb6649089 [0,1,0,0,0,1|2,0,0]=4 1945 B12R1.27 COC(=O)CNc1cccnc1 Amb18270093 [0,1,0,0,0,1|2,0,0]=4 1946 B12R1.27 COC(=O)CNc1cncnc1 Amb18270088 [0,1,0,0,0,1|1,0,1]=4 1947 B12R1.27 COC(=O)CNc1ncccn1 Amb6651392 [0,1,0,0,0,1|2,0,0]=4 1948 B12R1.27 COC(=O)COc1ccccn1 Amb24095859 [0,1,0,0,0,1|2,0,0]=4 1949 B12R1.27 COC(=O)CSc1cnccn1 Amb29845365 [0,1,0,0,0,1|1,0,1]=4 1950 B12R1.27 COC(=O)CSc1ncccn1 Amb4330318 [0,1,0,0,0,1|2,0,0]=4 1951 B12R1.27 COC(=O)NCc1cccnn1 Amb28197550 [0,1,0,0,0,1|2,0,0]=4 1952 B12R1.27 COC(=O)NCc1cnccn1 Amb35654789 [0,1,0,0,0,1|1,0,1]=4 1953 B12R1.27 COC(=O)NCc1ncccn1 Amb27766428 [0,1,0,0,0,1|2,0,0]=4 1954 B12R1.27 NNC(=O)CCc1cccnc1 Amb8387840 [0,1,0,0,0,1|2,0,0]=4 1955 B12R1.27 N\C(CCc1ccccn1)=N/O Amb18792639 [0,1,0,0,0,1|2,0,0]=4 1956 B12R1.27 N\C(CCc1cccnc1)=N/O Amb24678911 [0,1,0,0,0,1|2,0,0]=4 1957 B12R1.27 N\C(CCc1cnccn1)=N\O Amb29850694 [0,1,0,0,0,1|1,0,1]=4 1958 B12R1.27 O=C(CCc1ccccc1)NO Amb6277186 [0,1,0,0,0,1|2,0,0]=4 1959 B12R1.27 O=C(CCc1ccncn1)NO Amb27163861 [0,1,0,0,0,1|0,0,1]=3 1960 B12R1.27 O=C(CO)CCc1ccccc1 Amb18563609 [0,1,0,0,0,1|2,0,0]=4 1961 B12R1.27 O=C(CO)CCc1ccccn1 Amb18563673 [0,1,0,0,0,1|1,0,0]=3 1962 B12R1.27 O=C(CO)CCc1cccnc1 Amb18563674 [0,1,0,0,0,1|1,0,0]=3 1963 B12R1.27 O=C(CO)CCc1ccncc1 Amb18563675 [0,1,0,0,0,1|1,0,1]=4 1964 B12R1.27 O=C(CO)NCc1ccccn1 Amb17334667 [0,1,0,0,0,1|2,0,0]=4 1965 B12R1.27 O=C(CO)NCc1cccnc1 Amb17334668 [0,1,0,0,0,1|2,0,0]=4 1966 B12R1.27 O=C(CO)NCc1cccnn1 Amb27399370 [0,1,0,0,0,1|2,0,0]=4 1967 B12R1.27 O=C(CO)NCc1ncccn1 Amb28319491 [0,1,0,0,0,1|2,0,0]=4 1968 B12R1.27 O=C(COc1cccnc1)NO Amb28043772 [0,1,0,0,0,1|2,0,0]=4 1969 B12R1.27 O=C(NO)NCc1ccccn1 Amb28317440 [0,1,0,0,0,1|2,0,0]=4 1970 B12R1.43 C=C(Cc1cccnc1)C(=O)O Amb26636551 [0,1,0,0,0,1|1,0,1]=4 1971 B12R1.43 CC(=O)C(Br)Cc1cncnc1 Amb28137449 [0,1,0,0,0,1|1,0,1]=4 1972 B12R1.43 CC(=O)C(C)Cc1ccccn1 Amb27231621 [0,1,0,0,0,1|2,0,0]=4 1973 B12R1.43 CC(=O)C(C)Cc1cccnc1 Amb27960854 [0,1,0,0,0,1|2,0,0]=4 1974 B12R1.43 CC(=O)C(C)Cc1cnccn1 Amb35723160 [0,1,0,0,0,1|1,0,1]=4 1975 B12R1.43 CC(=O)[C@@H](C)Cc1cccnc1 Amb27177781 [0,1,0,0,0,1|2,0,0]=4 1976 B12R1.43 CC(Cc1ccccc1)C(=O)O Amb3939940 [0,1,0,0,0,1|2,0,0]=4 1977 B12R1.43 CC(Cc1ccccn1)C(=O)Cl Amb5744095 [0,1,0,0,0,1|2,0,0]=4 1978 B12R1.43 CC(Cc1ccccn1)C(=O)O Amb5744008 [0,1,0,0,0,1|1,0,0]=3 1979 B12R1.43 CC(Cc1cccnc1)C(=O)Cl Amb5744096 [0,1,0,0,0,1|2,0,0]=4 1980 B12R1.43 CC(Cc1cccnc1)C(=O)O Amb5744009 [0,1,0,0,0,1|1,0,0]=3 1981 B12R1.43 CC(Cc1cccnc1)C(N)=O Amb28072992 [0,1,0,0,0,1|2,0,0]=4 1982 B12R1.43 CC(Cc1ccncc1)C(=O)O Amb33743550 [0,1,0,0,0,1|1,0,1]=4 1983 B12R1.43 CC(Cc1ccncc1)C(=O)O Amb5744010 [0,1,0,0,0,1|1,0,1]=4 1984 B12R1.43 CC(Cc1ccncn1)C(=O)O Amb7101497 [0,1,0,0,0,1|0,0,1]=3 1985 B12R1.43 CC(Cc1cncnc1)C(=O)O Amb24375035 [0,1,0,0,0,1|0,0,1]=3 1986 B12R1.43 CC(Cc1cncnn1)C(=O)O Amb27445911 [0,1,0,0,0,1|0,0,1]=3 1987 B12R1.43 CC(Cc1ncccn1)C(=O)O Amb7101496 [0,1,0,0,0,1|1,0,0]=3 1988 B12R1.43 CC(Nc1cccnc1)C(=O)O Amb18270393 [0,1,0,0,0,1|2,0,0]=4 1989 B12R1.43 CC(Nc1cccnn1)C(=O)O Amb18991526 [0,1,0,0,0,1|2,0,0]=4 1990 B12R1.43 CC(Nc1ncccn1)C(=O)O Amb2372391 [0,1,0,0,0,1|2,0,0]=4 1991 B12R1.43 CC(Oc1ccccn1)C(=O)O Amb26054640 [0,1,0,0,0,1|2,0,0]=4 1992 B12R1.43 CC(Oc1cccnc1)C(=O)O Amb9783585 [0,1,0,0,0,1|2,0,0]=4 1993 B12R1.43 CC(Sc1ccccn1)C(=O)O Amb9710966 [0,1,0,0,0,1|2,0,0]=4 1994 B12R1.43 CC(Sc1ncccn1)C(=O)O Amb9720856 [0,1,0,0,0,1|2,0,0]=4 1995 B12R1.43 C[C@@H](Cc1ccccc1)C(=O)O Amb10844540 [0,1,0,0,0,1|2,0,0]=4 1996 B12R1.43 C[C@@H](Cc1ccccn1)C(=O)O Amb10843999 [0,1,0,0,0,1|1,0,0]=3 1997 B12R1.43 C[C@@H](Cc1cccnc1)C(=O)O Amb10844005 [0,1,0,0,0,1|1,0,0]=3 1998 B12R1.43 C[C@@H](Cc1ccncc1)C(=O)O Amb10844007 [0,1,0,0,0,1|1,0,1]=4 1999 B12R1.43 C[C@@H](Nc1ncccn1)C(=O)O Amb24707746 [0,1,0,0,0,1|2,0,0]=4 2000 B12R1.43 C[C@@H](Oc1cccnc1)C(=O)O Amb28288991 [0,1,0,0,0,1|2,0,0]=4 2001 B12R1.43 C[C@H](Cc1ccccc1)C(=O)O Amb10844541 [0,1,0,0,0,1|2,0,0]=4 2002 B12R1.43 C[C@H](Cc1ccccn1)C(=O)O Amb10843998 [0,1,0,0,0,1|1,0,0]=3 2003 B12R1.43 C[C@H](Cc1cccnc1)C(=O)O Amb10844004 [0,1,0,0,0,1|1,0,0]=3 2004 B12R1.43 C[C@H](Cc1ccncc1)C(=O)O Amb10844006 [0,1,0,0,0,1|1,0,1]=4 2005 B12R1.43 C[C@H](Oc1cccnc1)C(=O)O Amb28197526 [0,1,0,0,0,1|2,0,0]=4 2006 B12R1.43 NC(=O)C(Cl)Cc1cccnc1 Amb27978950 [0,1,0,0,0,1|2,0,0]=4 2007 B12R1.43 NC(=O)C(N)Cc1ccccn1 Amb25873185 [0,1,0,0,0,1|2,0,0]=4 2008 B12R1.43 NC(=O)C(N)Cc1cccnc1 Amb26475758 [0,1,0,0,0,1|2,0,0]=4 2009 B12R1.43 NC(=O)C(N)Cc1cccnn1 Amb33065669 [0,1,0,0,0,1|2,0,0]=4 2010 B12R1.43 NC(=O)C(N)Cc1ccncn1 Amb33065607 [0,1,0,0,0,1|1,0,1]=4 2011 B12R1.43 NC(=O)C(N)Cc1cnccn1 Amb33065713 [0,1,0,0,0,1|1,0,1]=4 2012 B12R1.43 NC(=O)C(N)Cc1ncccn1 Amb26949419 [0,1,0,0,0,1|2,0,0]=4 2013 B12R1.43 NC(=O)[C@@H](N)Cc1ccccn1 Amb30527600 [0,1,0,0,0,1|2,0,0]=4 2014 B12R1.43 NC(Cc1ccccc1)C(=O)O Amb19958284 [0,1,0,0,0,1|2,0,0]=4 2015 B12R1.43 NC(Cc1ccccc1)C(=O)O Amb9703092 [0,1,0,0,0,1|2,0,0]=4 2016 B12R1.43 NC(Cc1ccccn1)C(=O)O Amb22234042 [0,1,0,0,0,1|1,0,0]=3 2017 B12R1.43 NC(Cc1ccccn1)C(=O)O Amb3788186 [0,1,0,0,0,1|1,0,0]=3 2018 B12R1.43 NC(Cc1cccnc1)C(=O)O Amb22301544 [0,1,0,0,0,1|1,0,0]=3 2019 B12R1.43 NC(Cc1cccnc1)C(=O)O Amb3788187 [0,1,0,0,0,1|1,0,0]=3 2020 B12R1.43 NC(Cc1cccnn1)C(=O)O Amb18827268 [0,1,0,0,0,1|1,0,0]=3 2021 B12R1.43 NC(Cc1ccncc1)C(=O)O Amb22728340 [0,1,0,0,0,1|1,0,1]=4 2022 B12R1.43 NC(Cc1ccncc1)C(=O)O Amb32661063 [0,1,0,0,0,1|1,0,1]=4 2023 B12R1.43 NC(Cc1ccncc1)C(=O)O Amb3788185 [0,1,0,0,0,1|1,0,1]=4 2024 B12R1.43 NC(Cc1ccncn1)C(=O)O Amb19000856 [0,1,0,0,0,1|0,0,1]=3 2025 B12R1.43 NC(Cc1ccncn1)C(=O)O Amb30584876 [0,1,0,0,0,1|0,0,1]=3 2026 B12R1.43 NC(Cc1ccnnc1)C(=O)O Amb26517405 [0,1,0,0,0,1|1,0,1]=4 2027 B12R1.43 NC(Cc1ccnnc1)C(=O)O Amb32682327 [0,1,0,0,0,1|1,0,1]=4 2028 B12R1.43 NC(Cc1cnccn1)C(=O)O Amb19000859 [0,1,0,0,0,1|0,0,1]=3 2029 B12R1.43 NC(Cc1cncnc1)C(=O)O Amb18302429 [0,1,0,0,0,1|0,0,1]=3 2030 B12R1.43 NC(Cc1cncnc1)C(=O)O Amb35789114 [0,1,0,0,0,1|0,0,1]=3 2031 B12R1.43 NC(Cc1cnncn1)C(=O)O Amb18826715 [0,1,0,0,0,1|0,0,1]=3 2032 B12R1.43 NC(Cc1ncccn1)C(=O)O Amb18995251 [0,1,0,0,0,1|1,0,0]=3 2033 B12R1.43 NC(Cc1ncccn1)C(=O)O Amb28555732 [0,1,0,0,0,1|1,0,0]=3 2034 B12R1.43 N[C@@H](CC1=CCC=CC1)C(=O)O Amb24080592 [0,1,0,0,0,1|2,0,0]=4 2035 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O Amb22351110 [0,1,0,0,0,1|2,0,0]=4 2036 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O Amb3940754 [0,1,0,0,0,1|2,0,0]=4 2037 B12R1.43 N[C@@H](Cc1ccccn1)C(=O)O Amb8629055 [0,1,0,0,0,1|1,0,0]=3 2038 B12R1.43 N[C@@H](Cc1cccnc1)C(=O)O Amb16231985 [0,1,0,0,0,1|1,0,0]=3 2039 B12R1.43 N[C@@H](Cc1cccnc1)C(=O)O Amb22008701 [0,1,0,0,0,1|1,0,0]=3 2040 B12R1.43 N[C@@H](Cc1cccnc1)C(=O)O Amb8395968 [0,1,0,0,0,1|1,0,0]=3 2041 B12R1.43 N[C@@H](Cc1cccnn1)C(=O)O Amb33066308 [0,1,0,0,0,1|1,0,0]=3 2042 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O Amb22745959 [0,1,0,0,0,1|1,0,1]=4 2043 B12R1.43 N[C@@H](Cc1ccncc1)C(=O)O Amb2699212 [0,1,0,0,0,1|1,0,1]=4 2044 B12R1.43 N[C@@H](Cc1ccncn1)C(=O)O Amb26025848 [0,1,0,0,0,1|0,0,1]=3 2045 B12R1.43 N[C@@H](Cc1cnccn1)C(=O)O Amb22801697 [0,1,0,0,0,1|0,0,1]=3 2046 B12R1.43 N[C@@H](Cc1cncnc1)C(=O)O Amb19149168 [0,1,0,0,0,1|0,0,1]=3 2047 B12R1.43 N[C@@H](Cc1ncccn1)C(=O)O Amb24524889 [0,1,0,0,0,1|1,0,0]=3 2048 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O Amb2725663 [0,1,0,0,0,1|2,0,0]=4 2049 B12R1.43 N[C@H](Cc1ccccn1)C(=O)O Amb8390365 [0,1,0,0,0,1|1,0,0]=3 2050 B12R1.43 N[C@H](Cc1cccnc1)C(=O)O Amb19930749 [0,1,0,0,0,1|1,0,0]=3 2051 B12R1.43 N[C@H](Cc1cccnc1)C(=O)O Amb22008700 [0,1,0,0,0,1|1,0,0]=3 2052 B12R1.43 N[C@H](Cc1cccnc1)C(=O)O Amb6295898 [0,1,0,0,0,1|1,0,0]=3 2053 B12R1.43 N[C@H](Cc1cccnn1)C(=O)O Amb33127536 [0,1,0,0,0,1|1,0,0]=3 2054 B12R1.43 N[C@H](Cc1ccncc1)C(=O)O Amb19944301 [0,1,0,0,0,1|1,0,1]=4 2055 B12R1.43 N[C@H](Cc1ccncc1)C(=O)O Amb6336423 [0,1,0,0,0,1|1,0,1]=4 2056 B12R1.43 N[C@H](Cc1ccncn1)C(=O)O Amb26876190 [0,1,0,0,0,1|0,0,1]=3 2057 B12R1.43 N[C@H](Cc1cnccn1)C(=O)O Amb24671229 [0,1,0,0,0,1|0,0,1]=3 2058 B12R1.43 N[C@H](Cc1ncccn1)C(=O)O Amb27593543 [0,1,0,0,0,1|1,0,0]=3 2059 B12R1.43 O=C(O)C(=O)Cc1ccccn1 Amb17477815 [0,1,0,0,0,1|1,0,1]=4 2060 B12R1.43 O=C(O)C(=O)Cc1ccccn1 Amb32952891 [0,1,0,0,0,1|1,0,1]=4 2061 B12R1.43 O=C(O)C(=O)Cc1cccnc1 Amb17232515 [0,1,0,0,0,1|1,0,1]=4 2062 B12R1.43 O=C(O)C(=O)Cc1ccncn1 Amb27870498 [0,1,0,0,0,1|0,0,2]=4 2063 B12R1.43 O=C(O)C(=O)Cc1cnccn1 Amb33360026 [0,1,0,0,0,1|0,0,2]=4 2064 B12R1.43 O=C(O)C(=O)Cc1cncnc1 Amb26564641 [0,1,0,0,0,1|0,0,2]=4 2065 B12R1.43 O=C(O)C(=O)Cc1ncccn1 Amb33270697 [0,1,0,0,0,1|1,0,1]=4 2066 B12R1.43 O=C(O)C(Br)Cc1ccccc1 Amb8392806 [0,1,0,0,0,1|2,0,0]=4 2067 B12R1.43 O=C(O)C(Cl)Cc1ccccc1 Amb17204339 [0,1,0,0,0,1|2,0,0]=4 2068 B12R1.43 O=C(O)C(F)Cc1ccccc1 Amb27863462 [0,1,0,0,0,1|2,0,0]=4 2069 B12R1.43 O=C(O)C(F)Cc1ccncc1 Amb27946336 [0,1,0,0,0,1|1,0,1]=4 2070 B12R1.43 O=C(O)C(F)Cc1cnccn1 Amb35600951 [0,1,0,0,0,1|0,0,1]=3 2071 B12R1.43 O=C(O)C(F)Cc1cncnc1 Amb27785706 [0,1,0,0,0,1|0,0,1]=3 2072 B12R1.43 O=C(O)C(F)Sc1ccccn1 Amb28125192 [0,1,0,0,0,1|2,0,0]=4 2073 B12R1.43 O=C(O)C(F)Sc1ccncn1 Amb28370340 [0,1,0,0,0,1|1,0,1]=4 2074 B12R1.43 O=C(O)C(F)Sc1ncccn1 Amb2407790 [0,1,0,0,0,1|2,0,0]=4 2075 B12R1.43 O=C(O)C(O)Cc1ccccc1 Amb2718772 [0,1,0,0,0,1|2,0,0]=4 2076 B12R1.43 O=C(O)C(O)Cc1ccccn1 Amb17138619 [0,1,0,0,0,1|1,0,0]=3 2077 B12R1.43 O=C(O)C(O)Cc1ccccn1 Amb35750904 [0,1,0,0,0,1|1,0,0]=3 2078 B12R1.43 O=C(O)C(O)Cc1cccnc1 Amb2699798 [0,1,0,0,0,1|1,0,0]=3 2079 B12R1.43 O=C(O)C(O)Cc1ccncc1 Amb17138620 [0,1,0,0,0,1|1,0,1]=4 2080 B12R1.43 O=C(O)C(O)Cc1ccncn1 Amb33353381 [0,1,0,0,0,1|0,0,1]=3 2081 B12R1.43 O=C(O)C(O)Cc1cnccn1 Amb33353471 [0,1,0,0,0,1|0,0,1]=3 2082 B12R1.43 O=C(O)C(O)Cc1cncnc1 Amb25722221 [0,1,0,0,0,1|0,0,1]=3 2083 B12R1.43 O=C(O)C(O)Cc1ncccn1 Amb26934951 [0,1,0,0,0,1|1,0,0]=3 2084 B12R1.43 O=C(O)C(S)Cc1ccccc1 Amb18289035 [0,1,0,0,0,1|2,0,0]=4 2085 B12R1.43 O=C(O)C(S)Cc1cnccn1 Amb35602917 [0,1,0,0,0,1|0,0,1]=3 2086 B12R1.43 O=C(O)C(S)Cc1cncnc1 Amb27847788 [0,1,0,0,0,1|0,0,1]=3 2087 B12R1.43 O=C(O)[C@@H](Cl)Cc1ccccc1 Amb24707843 [0,1,0,0,0,1|2,0,0]=4 2088 B12R1.43 O=C(O)[C@@H](F)Cc1ccccc1 Amb27983597 [0,1,0,0,0,1|2,0,0]=4 2089 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 Amb6295887 [0,1,0,0,0,1|2,0,0]=4 2090 B12R1.43 O=C(O)[C@@H](O)Cc1cccnc1 Amb27878615 [0,1,0,0,0,1|1,0,0]=3 2091 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 Amb3940793 [0,1,0,0,0,1|2,0,0]=4 2092 B12R1.43 O=C(O)[C@H](O)Cc1ccccn1 Amb27165660 [0,1,0,0,0,1|1,0,0]=3 2093 B12R1.107 CC(=O)CC(C)c1cnccn1 Amb27267583 [0,1,0,0,0,1|1,0,1]=4 2094 B12R1.107 CC(=O)CC(C)c1cncnc1 Amb27175545 [0,1,0,0,0,1|1,0,1]=4 2095 B12R1.107 CC(=O)CC(N)c1ncccn1 Amb32716313 [0,1,0,0,0,1|2,0,0]=4 2096 B12R1.107 CC(=O)CC(O)c1ccccn1 Amb1016907 [0,1,0,0,0,1|2,0,0]=4 2097 B12R1.107 CC(=O)CC(O)c1cccnc1 Amb28399354 [0,1,0,0,0,1|2,0,0]=4 2098 B12R1.107 CC(CC(=O)O)c1ccccc1 Amb1207393 [0,1,0,0,0,1|2,0,0]=4 2099 B12R1.107 CC(CC(=O)O)c1ccccn1 Amb6749249 [0,1,0,0,0,1|1,0,0]=3 2100 B12R1.107 CC(CC(=O)O)c1cccnc1 Amb6749217 [0,1,0,0,0,1|1,0,0]=3 2101 B12R1.107 CC(CC(=O)O)c1ccncc1 Amb32668732 [0,1,0,0,0,1|1,0,1]=4 2102 B12R1.107 CC(CC(=O)O)c1ccncc1 Amb33528474 [0,1,0,0,0,1|1,0,1]=4 2103 B12R1.107 CC(CC(=O)O)c1ccncn1 Amb24589784 [0,1,0,0,0,1|0,0,1]=3 2104 B12R1.107 CC(CC(=O)O)c1cnccn1 Amb24487345 [0,1,0,0,0,1|0,0,1]=3 2105 B12R1.107 CC(CC(=O)O)c1cncnc1 Amb25938150 [0,1,0,0,0,1|0,0,1]=3 2106 B12R1.107 CC(CC(=O)O)c1ncccn1 Amb25135402 [0,1,0,0,0,1|1,0,0]=3 2107 B12R1.107 CC(CC(N)=O)c1cccnc1 Amb27832020 [0,1,0,0,0,1|2,0,0]=4 2108 B12R1.107 CN(CC(=O)O)c1ccccn1 Amb22275945 [0,1,0,0,0,1|2,0,0]=4 2109 B12R1.107 CN(CC(=O)O)c1ccccn1 Amb6261942 [0,1,0,0,0,1|2,0,0]=4 2110 B12R1.107 CN(CC(=O)O)c1cccnc1 Amb18268673 [0,1,0,0,0,1|2,0,0]=4 2111 B12R1.107 CN(CC(=O)O)c1cnccn1 Amb33543026 [0,1,0,0,0,1|1,0,1]=4 2112 B12R1.107 CN(CC(=O)O)c1ncccn1 Amb1130766 [0,1,0,0,0,1|2,0,0]=4 2113 B12R1.107 C[C@@H](CC(=O)O)c1ccccc1 Amb10844379 [0,1,0,0,0,1|2,0,0]=4 2114 B12R1.107 C[C@H](CC(=O)O)c1ccccc1 Amb10844340 [0,1,0,0,0,1|2,0,0]=4 2115 B12R1.107 NC(=O)CC(N)c1ccccn1 Amb7800654 [0,1,0,0,0,1|2,0,0]=4 2116 B12R1.107 NC(=O)CC(N)c1cccnc1 Amb7800599 [0,1,0,0,0,1|2,0,0]=4 2117 B12R1.107 NC(=O)CC(N)c1ccncn1 Amb25148501 [0,1,0,0,0,1|1,0,1]=4 2118 B12R1.107 NC(=O)CC(N)c1cnccn1 Amb32787321 [0,1,0,0,0,1|1,0,1]=4 2119 B12R1.107 NC(=O)CC(N)c1cncnc1 Amb25340439 [0,1,0,0,0,1|1,0,1]=4 2120 B12R1.107 NC(=O)CC(O)c1cccnc1 Amb27596700 [0,1,0,0,0,1|2,0,0]=4 2121 B12R1.107 NC(=O)C[C@@H](N)c1ccccn1 Amb26506910 [0,1,0,0,0,1|2,0,0]=4 2122 B12R1.107 NC(=O)C[C@@H](N)c1cccnc1 Amb18792646 [0,1,0,0,0,1|2,0,0]=4 2123 B12R1.107 NC(=O)C[C@@H](N)c1ccncn1 Amb26869678 [0,1,0,0,0,1|1,0,1]=4 2124 B12R1.107 NC(=O)C[C@@H](N)c1cnccn1 Amb33255760 [0,1,0,0,0,1|1,0,1]=4 2125 B12R1.107 NC(=O)C[C@@H](N)c1cncnc1 Amb28138144 [0,1,0,0,0,1|1,0,1]=4 2126 B12R1.107 NC(=O)C[C@H](N)c1ccccn1 Amb25049883 [0,1,0,0,0,1|2,0,0]=4 2127 B12R1.107 NC(=O)C[C@H](N)c1cccnc1 Amb25137393 [0,1,0,0,0,1|2,0,0]=4 2128 B12R1.107 NC(=O)C[C@H](N)c1ccncn1 Amb25765330 [0,1,0,0,0,1|1,0,1]=4 2129 B12R1.107 NC(=O)C[C@H](N)c1cnccn1 Amb33255464 [0,1,0,0,0,1|1,0,1]=4 2130 B12R1.107 NC(=O)C[C@H](N)c1cncnc1 Amb26452053 [0,1,0,0,0,1|1,0,1]=4 2131 B12R1.107 NC(CC(=O)O)c1ccccc1 Amb8566722 [0,1,0,0,0,1|2,0,0]=4 2132 B12R1.107 NC(CC(=O)O)c1ccccc1 Amb9730098 [0,1,0,0,0,1|2,0,0]=4 2133 B12R1.107 NC(CC(=O)O)c1ccccn1 Amb22898991 [0,1,0,0,0,1|1,0,0]=3 2134 B12R1.107 NC(CC(=O)O)c1ccccn1 Amb2697563 [0,1,0,0,0,1|1,0,0]=3 2135 B12R1.107 NC(CC(=O)O)c1cccnc1 Amb1993735 [0,1,0,0,0,1|1,0,0]=3 2136 B12R1.107 NC(CC(=O)O)c1ccncc1 Amb2697359 [0,1,0,0,0,1|1,0,1]=4 2137 B12R1.107 NC(CC(=O)O)c1ccncc1 Amb32666622 [0,1,0,0,0,1|1,0,1]=4 2138 B12R1.107 NC(CC(=O)O)c1ccncn1 Amb25148500 [0,1,0,0,0,1|0,0,1]=3 2139 B12R1.107 NC(CC(=O)O)c1cnccn1 Amb24377112 [0,1,0,0,0,1|0,0,1]=3 2140 B12R1.107 NC(CC(=O)O)c1cncnc1 Amb2697375 [0,1,0,0,0,1|0,0,1]=3 2141 B12R1.107 NC(CC(=O)O)c1cncnn1 Amb27463582 [0,1,0,0,0,1|0,0,1]=3 2142 B12R1.107 NC(CC(=O)O)c1ncccn1 Amb33079385 [0,1,0,0,0,1|1,0,0]=3 2143 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 Amb8384247 [0,1,0,0,0,1|2,0,0]=4 2144 B12R1.107 N[C@@H](CC(=O)O)c1ccccc1 Amb8396895 [0,1,0,0,0,1|2,0,0]=4 2145 B12R1.107 N[C@@H](CC(=O)O)c1ccccn1 Amb20241102 [0,1,0,0,0,1|1,0,0]=3 2146 B12R1.107 N[C@@H](CC(=O)O)c1cccnc1 Amb35788157 [0,1,0,0,0,1|1,0,0]=3 2147 B12R1.107 N[C@@H](CC(=O)O)c1cccnc1 Amb8627845 [0,1,0,0,0,1|1,0,0]=3 2148 B12R1.107 N[C@@H](CC(=O)O)c1ccncc1 Amb20240885 [0,1,0,0,0,1|1,0,1]=4 2149 B12R1.107 N[C@@H](CC(=O)O)c1ccncn1 Amb26417472 [0,1,0,0,0,1|0,0,1]=3 2150 B12R1.107 N[C@@H](CC(=O)O)c1cnccn1 Amb25800392 [0,1,0,0,0,1|0,0,1]=3 2151 B12R1.107 N[C@@H](CC(=O)O)c1cncnc1 Amb25324427 [0,1,0,0,0,1|0,0,1]=3 2152 B12R1.107 N[C@H](CC(=O)O)c1ccccc1 Amb4296884 [0,1,0,0,0,1|2,0,0]=4 2153 B12R1.107 N[C@H](CC(=O)O)c1ccccc1 Amb6365358 [0,1,0,0,0,1|2,0,0]=4 2154 B12R1.107 N[C@H](CC(=O)O)c1ccccn1 Amb20241101 [0,1,0,0,0,1|1,0,0]=3 2155 B12R1.107 N[C@H](CC(=O)O)c1cccnc1 Amb35788756 [0,1,0,0,0,1|1,0,0]=3 2156 B12R1.107 N[C@H](CC(=O)O)c1cccnc1 Amb8627846 [0,1,0,0,0,1|1,0,0]=3 2157 B12R1.107 N[C@H](CC(=O)O)c1ccncc1 Amb20241136 [0,1,0,0,0,1|1,0,1]=4 2158 B12R1.107 N[C@H](CC(=O)O)c1ccncn1 Amb27798138 [0,1,0,0,0,1|0,0,1]=3 2159 B12R1.107 N[C@H](CC(=O)O)c1cnccn1 Amb28288623 [0,1,0,0,0,1|0,0,1]=3 2160 B12R1.107 N[C@H](CC(=O)O)c1cncnc1 Amb28072918 [0,1,0,0,0,1|0,0,1]=3 2161 B12R1.107 O=C(O)CC(Br)c1ccccc1 Amb2721208 [0,1,0,0,0,1|2,0,0]=4 2162 B12R1.107 O=C(O)CC(Br)c1ccccn1 Amb17596297 [0,1,0,0,0,1|1,0,0]=3 2163 B12R1.107 O=C(O)CC(Cl)c1ccccc1 Amb18120400 [0,1,0,0,0,1|2,0,0]=4 2164 B12R1.107 O=C(O)CC(Cl)c1ccccn1 Amb18120042 [0,1,0,0,0,1|1,0,0]=3 2165 B12R1.107 O=C(O)CC(O)c1ccccc1 Amb2697927 [0,1,0,0,0,1|2,0,0]=4 2166 B12R1.107 O=C(O)CC(O)c1ccccn1 Amb18563782 [0,1,0,0,0,1|1,0,0]=3 2167 B12R1.107 O=C(O)CC(O)c1ccncc1 Amb18563783 [0,1,0,0,0,1|1,0,1]=4 2168 B12R1.107 O=C(O)CC(O)c1ccncn1 Amb33269013 [0,1,0,0,0,1|0,0,1]=3 2169 B12R1.107 O=C(O)CC(O)c1cnccn1 Amb33359994 [0,1,0,0,0,1|0,0,1]=3 2170 B12R1.107 O=C(O)CC(O)c1cncnc1 Amb32954017 [0,1,0,0,0,1|0,0,1]=3 2171 B12R1.107 O=C(O)CC(O)c1ncccn1 Amb33270409 [0,1,0,0,0,1|1,0,0]=3 2172 B12R1.107 O=C(O)C[C@@H](O)c1ccccc1 Amb8516664 [0,1,0,0,0,1|2,0,0]=4 2173 B12R1.107 O=C(O)C[C@@H](O)c1ccccn1 Amb33360785 [0,1,0,0,0,1|1,0,0]=3 2174 B12R1.107 O=C(O)C[C@@H](O)c1cccnc1 Amb33360064 [0,1,0,0,0,1|1,0,0]=3 2175 B12R1.107 O=C(O)C[C@@H](O)c1ccncc1 Amb33380661 [0,1,0,0,0,1|1,0,1]=4 2176 B12R1.107 O=C(O)C[C@@H](O)c1ccncn1 Amb33269010 [0,1,0,0,0,1|0,0,1]=3 2177 B12R1.107 O=C(O)C[C@@H](O)c1cnccn1 Amb33359992 [0,1,0,0,0,1|0,0,1]=3 2178 B12R1.107 O=C(O)C[C@@H](O)c1cncnc1 Amb33149204 [0,1,0,0,0,1|0,0,1]=3 2179 B12R1.107 O=C(O)C[C@@H](O)c1ncccn1 Amb33270406 [0,1,0,0,0,1|1,0,0]=3 2180 B12R1.107 O=C(O)C[C@H](O)c1ccccc1 Amb6357183 [0,1,0,0,0,1|2,0,0]=4 2181 B12R1.107 O=C(O)C[C@H](O)c1ccccn1 Amb33360787 [0,1,0,0,0,1|1,0,0]=3 2182 B12R1.107 O=C(O)C[C@H](O)c1cccnc1 Amb33360065 [0,1,0,0,0,1|1,0,0]=3 2183 B12R1.107 O=C(O)C[C@H](O)c1ccncc1 Amb33380662 [0,1,0,0,0,1|1,0,1]=4 2184 B12R1.107 O=C(O)C[C@H](O)c1ccncn1 Amb33269011 [0,1,0,0,0,1|0,0,1]=3 2185 B12R1.107 O=C(O)C[C@H](O)c1cnccn1 Amb33359993 [0,1,0,0,0,1|0,0,1]=3 2186 B12R1.107 O=C(O)C[C@H](O)c1cncnc1 Amb33149205 [0,1,0,0,0,1|0,0,1]=3 2187 B12R1.107 O=C(O)C[C@H](O)c1ncccn1 Amb33270408 [0,1,0,0,0,1|1,0,0]=3 2188 B12R1.125 CC(=O)CCc1cccnc1Br Amb33388129 [0,1,0,0,0,1|2,0,0]=4 2189 B12R1.125 CC(=O)CCc1cccnc1C Amb25859556 [0,1,0,0,0,1|2,0,0]=4 2190 B12R1.125 CC(=O)CCc1cccnc1Cl Amb25731066 [0,1,0,0,0,1|2,0,0]=4 2191 B12R1.125 CC(=O)CCc1cccnc1F Amb33377141 [0,1,0,0,0,1|2,0,0]=4 2192 B12R1.125 CC(=O)CCc1cnccc1C Amb28205627 [0,1,0,0,0,1|2,0,0]=4 2193 B12R1.125 CC(=O)CCc1cncnc1C Amb33148942 [0,1,0,0,0,1|1,0,1]=4 2194 B12R1.125 CC(=O)CCc1ncccc1Br Amb25703295 [0,1,0,0,0,1|2,0,0]=4 2195 B12R1.125 CC(=O)CCc1ncccc1C Amb26961458 [0,1,0,0,0,1|2,0,0]=4 2196 B12R1.125 CC(=O)CCc1ncccc1F Amb33419609 [0,1,0,0,0,1|2,0,0]=4 2197 B12R1.125 CC(=O)CCc1nccnc1C Amb33142524 [0,1,0,0,0,1|1,0,1]=4 2198 B12R1.125 Cc1ccccc1CCC(=O)O Amb2689629 [0,1,0,0,0,1|2,0,0]=4 2199 B12R1.125 Cc1cccnc1CCC(=O)O Amb8009794 [0,1,0,0,0,1|1,0,0]=3 2200 B12R1.125 Cc1cccnc1OCC(=O)O Amb25154207 [0,1,0,0,0,1|2,0,0]=4 2201 B12R1.125 Cc1cccnc1SCC(=O)O Amb18989775 [0,1,0,0,0,1|2,0,0]=4 2202 B12R1.125 Cc1ccncc1CCC(=O)O Amb18828438 [0,1,0,0,0,1|1,0,0]=3 2203 B12R1.125 Cc1ccncc1CCC(N)=O Amb28077684 [0,1,0,0,0,1|2,0,0]=4 2204 B12R1.125 Cc1ccncc1OCC(=O)O Amb32946290 [0,1,0,0,0,1|2,0,0]=4 2205 B12R1.125 Cc1cnccc1CCC(=O)O Amb8009991 [0,1,0,0,0,1|1,0,1]=4 2206 B12R1.125 Cc1cncnc1CCC(=O)O Amb18827882 [0,1,0,0,0,1|0,0,1]=3 2207 B12R1.125 Cc1cncnc1OCC(=O)O Amb18826750 [0,1,0,0,0,1|1,0,1]=4 2208 B12R1.125 Cc1ncccc1CCC(=O)O Amb18853387 [0,1,0,0,0,1|1,0,0]=3 2209 B12R1.125 Cc1ncccc1CCC(=O)O Amb31307907 [0,1,0,0,0,1|1,0,0]=3 2210 B12R1.125 Cc1ncccc1OCC(=O)O Amb24729073 [0,1,0,0,0,1|2,0,0]=4 2211 B12R1.125 Cc1nccnc1CCC(=O)O Amb33142866 [0,1,0,0,0,1|0,0,1]=3 2212 B12R1.125 Cc1nccnc1OCC(=O)O Amb28045258 [0,1,0,0,0,1|1,0,1]=4 2213 B12R1.125 Cc1nccnc1SCC(=O)O Amb17516121 [0,1,0,0,0,1|1,0,1]=4 2214 B12R1.125 Cc1ncncc1CCC(=O)O Amb18827881 [0,1,0,0,0,1|0,0,1]=3 2215 B12R1.125 Cc1ncncc1OCC(=O)O Amb32876683 [0,1,0,0,0,1|1,0,1]=4 2216 B12R1.125 Cc1nnccc1CCC(=O)O Amb33470277 [0,1,0,0,0,1|1,0,1]=4 2217 B12R1.125 Nc1ccccc1CCC(=O)O Amb17477727 [0,1,0,0,0,1|2,0,0]=4 2218 B12R1.125 Nc1ccccc1CCC(=O)O Amb24118035 [0,1,0,0,0,1|2,0,0]=4 2219 B12R1.125 Nc1cccnc1NCC(=O)O Amb18989766 [0,1,0,0,0,1|2,0,0]=4 2220 B12R1.125 O=C(O)CCC1=CN=CNC1=O Amb23248037 [0,1,0,0,0,1|0,0,0]=2 2221 B12R1.125 O=C(O)CCC1=CNC=CC1=O Amb33470235 [0,1,0,0,0,1|1,0,0]=3 2222 B12R1.125 O=C(O)CCC1=NC=CNC1=O Amb26459147 [0,1,0,0,0,1|0,0,0]=2 2223 B12R1.125 O=C(O)CCC1=NN=CNC1=O Amb18034447 [0,1,0,0,0,1|0,0,0]=2 2224 B12R1.125 O=C(O)CCC1C=NC=NC1=O Amb18826807 [0,1,0,0,0,1|0,0,2]=4 2225 B12R1.125 O=C(O)CCN1C=CC=NC1=O Amb19372721 [0,1,0,0,0,1|2,0,0]=4 2226 B12R1.125 O=C(O)CCN1C=NC=CC1=O Amb33530561 [0,1,0,0,0,1|2,0,0]=4 2227 B12R1.125 O=C(O)CCN1N=CC=CC1=O Amb18998778 [0,1,0,0,0,1|2,0,0]=4 2228 B12R1.125 O=C(O)CCc1ccccc1Br Amb2685458 [0,1,0,0,0,1|2,0,0]=4 2229 B12R1.125 O=C(O)CCc1ccccc1Cl Amb1209214 [0,1,0,0,0,1|2,0,0]=4 2230 B12R1.125 O=C(O)CCc1ccccc1F Amb6336154 [0,1,0,0,0,1|2,0,0]=4 2231 B12R1.125 O=C(O)CCc1ccccc1I Amb10071543 [0,1,0,0,0,1|2,0,0]=4 2232 B12R1.125 O=C(O)CCc1ccccc1O Amb1211927 [0,1,0,0,0,1|2,0,0]=4 2233 B12R1.125 O=C(O)CCc1ccccc1S Amb18648646 [0,1,0,0,0,1|2,0,0]=4 2234 B12R1.125 O=C(O)CCc1cccnc1Br Amb24525068 [0,1,0,0,0,1|1,0,0]=3 2235 B12R1.125 O=C(O)CCc1cccnc1Cl Amb24484270 [0,1,0,0,0,1|1,0,0]=3 2236 B12R1.125 O=C(O)CCc1cccnc1F Amb25295347 [0,1,0,0,0,1|1,0,0]=3 2237 B12R1.125 O=C(O)CCc1ccncc1Br Amb33242388 [0,1,0,0,0,1|1,0,1]=4 2238 B12R1.125 O=C(O)CCc1ccncc1Cl Amb23596515 [0,1,0,0,0,1|1,0,1]=4 2239 B12R1.125 O=C(O)CCc1ccncc1F Amb26644078 [0,1,0,0,0,1|1,0,1]=4 2240 B12R1.125 O=C(O)CCc1ccncc1O Amb27201932 [0,1,0,0,0,1|1,0,1]=4 2241 B12R1.125 O=C(O)CCc1cncnc1Cl Amb18821790 [0,1,0,0,0,1|0,0,1]=3 2242 B12R1.125 O=C(O)CCc1ncccc1Br Amb25898946 [0,1,0,0,0,1|1,0,0]=3 2243 B12R1.125 O=C(O)CCc1ncccc1Cl Amb33470280 [0,1,0,0,0,1|1,0,0]=3 2244 B12R1.125 O=C(O)CCc1ncccc1F Amb25311377 [0,1,0,0,0,1|1,0,0]=3 2245 B12R1.125 O=C(O)CCc1ncccc1O Amb28249996 [0,1,0,0,0,1|1,0,0]=3 2246 B12R1.125 O=C(O)CCc1ncncc1Br Amb33470251 [0,1,0,0,0,1|0,0,1]=3 2247 B12R1.125 O=C(O)CNc1cccnc1Cl Amb27770209 [0,1,0,0,0,1|2,0,0]=4 2248 B12R1.125 O=C(O)CNc1cnccc1Cl Amb22495942 [0,1,0,0,0,1|2,0,0]=4 2249 B12R1.125 O=C(O)CNc1ncccc1Cl Amb2372425 [0,1,0,0,0,1|2,0,0]=4 2250 B12R1.125 O=C(O)CNc1ncccc1O Amb25891362 [0,1,0,0,0,1|2,0,0]=4 2251 B12R1.125 O=C(O)CNc1nccnc1Cl Amb26642660 [0,1,0,0,0,1|1,0,1]=4 2252 B12R1.125 O=C(O)COC1=CC=CNC1=O Amb32946096 [0,1,0,0,0,1|2,0,0]=4 2253 B12R1.125 O=C(O)COC1=CNC=CC1=O Amb27985853 [0,1,0,0,0,1|2,0,0]=4 2254 B12R1.125 O=C(O)COc1cccnc1Br Amb9768119 [0,1,0,0,0,1|2,0,0]=4 2255 B12R1.125 O=C(O)COc1cccnc1Cl Amb32946272 [0,1,0,0,0,1|2,0,0]=4 2256 B12R1.125 O=C(O)COc1cccnc1F Amb32946301 [0,1,0,0,0,1|2,0,0]=4 2257 B12R1.125 O=C(O)COc1ncccc1Br Amb27967686 [0,1,0,0,0,1|2,0,0]=4 2258 B12R1.125 O=C(O)COc1ncccc1F Amb28139994 [0,1,0,0,0,1|2,0,0]=4 2259 B12R1.125 O=C(O)COc1nccnc1Cl Amb28365750 [0,1,0,0,0,1|1,0,1]=4 2260 B12R1.125 O=C(O)COc1ncncc1Cl Amb27197728 [0,1,0,0,0,1|1,0,1]=4 2261 B12R1.125 O=C(O)CSc1ncccc1Br Amb18979322 [0,1,0,0,0,1|2,0,0]=4 2262 B12R1.125 O=C(O)CSc1nccnc1Cl Amb27613136 [0,1,0,0,0,1|1,0,1]=4 2263 B12R1.125 O=C(O)\C=C\C1=CN=CNC1=O Amb18646423 [0,1,0,0,0,1|0,0,2]=4 2264 B12R1.226 CC(=O)CCc1cc(C)ccn1 Amb33317812 [0,1,0,0,0,1|2,0,0]=4 2265 B12R1.226 CC(=O)CCc1cc(F)ccn1 Amb33325516 [0,1,0,0,0,1|2,0,0]=4 2266 B12R1.226 CC(=O)CCc1cccc(Br)n1 Amb33433542 [0,1,0,0,0,1|2,0,0]=4 2267 B12R1.226 CC(=O)CCc1cccc(C)n1 Amb27480062 [0,1,0,0,0,1|2,0,0]=4 2268 B12R1.226 CC(=O)CCc1cccc(Cl)n1 Amb33222652 [0,1,0,0,0,1|2,0,0]=4 2269 B12R1.226 CC(=O)CCc1cccc(O)n1 Amb24605336 [0,1,0,0,0,1|2,0,0]=4 2270 B12R1.226 CC(=O)CCc1ccnc(C)n1 Amb27865171 [0,1,0,0,0,1|1,0,1]=4 2271 B12R1.226 CC(=O)CCc1cncc(Br)c1 Amb28401345 [0,1,0,0,0,1|2,0,0]=4 2272 B12R1.226 CC(=O)CCc1cncc(C)c1 Amb27657326 [0,1,0,0,0,1|2,0,0]=4 2273 B12R1.226 CC(=O)CCc1cncc(F)c1 Amb25034788 [0,1,0,0,0,1|2,0,0]=4 2274 B12R1.226 Cc1cc(CCC(=O)O)ccn1 Amb22886572 [0,1,0,0,0,1|1,0,1]=4 2275 B12R1.226 Cc1cc(CCC(=O)O)ncn1 Amb18827877 [0,1,0,0,0,1|0,0,1]=3 2276 B12R1.226 Cc1cc(NCC(=O)O)ncn1 Amb3468323 [0,1,0,0,0,1|1,0,1]=4 2277 B12R1.226 Cc1cc(OCC(=O)O)ncn1 Amb18826751 [0,1,0,0,0,1|1,0,1]=4 2278 B12R1.226 Cc1cc(SCC(=O)O)ncn1 Amb4274822 [0,1,0,0,0,1|1,0,1]=4 2279 B12R1.226 Cc1cccc(CCC(=O)O)c1 Amb1106242 [0,1,0,0,0,1|2,0,0]=4 2280 B12R1.226 Cc1cccc(CCC(=O)O)n1 Amb8009795 [0,1,0,0,0,1|1,0,0]=3 2281 B12R1.226 Cc1cccc(OCC(=O)O)n1 Amb24389213 [0,1,0,0,0,1|2,0,0]=4 2282 B12R1.226 Cc1ccnc(CCC(=O)O)c1 Amb18828439 [0,1,0,0,0,1|1,0,0]=3 2283 B12R1.226 Cc1ccnc(CCC(=O)O)n1 Amb18862660 [0,1,0,0,0,1|1,0,0]=3 2284 B12R1.226 Cc1ccnc(NCC(=O)O)c1 Amb10597602 [0,1,0,0,0,1|2,0,0]=4 2285 B12R1.226 Cc1ccnc(OCC(=O)O)c1 Amb25154209 [0,1,0,0,0,1|2,0,0]=4 2286 B12R1.226 Cc1ccnc(OCC(=O)O)n1 Amb23585881 [0,1,0,0,0,1|2,0,0]=4 2287 B12R1.226 Cc1ccnc(SCC(=O)O)n1 Amb6355790 [0,1,0,0,0,1|2,0,0]=4 2288 B12R1.226 Cc1cncc(CCC(=O)O)c1 Amb22886573 [0,1,0,0,0,1|1,0,0]=3 2289 B12R1.226 Cc1cncc(CCC(=O)O)n1 Amb18827855 [0,1,0,0,0,1|0,0,1]=3 2290 B12R1.226 Cc1cncc(OCC(=O)O)c1 Amb33317153 [0,1,0,0,0,1|2,0,0]=4 2291 B12R1.226 Cc1cncc(OCC(=O)O)n1 Amb32946303 [0,1,0,0,0,1|1,0,1]=4 2292 B12R1.226 Cc1cnnc(OCC(=O)O)c1 Amb28244166 [0,1,0,0,0,1|2,0,0]=4 2293 B12R1.226 Cc1nccc(CCC(=O)O)n1 Amb33540349 [0,1,0,0,0,1|0,0,1]=3 2294 B12R1.226 Cc1nccc(CCC(N)=O)n1 Amb27222137 [0,1,0,0,0,1|1,0,1]=4 2295 B12R1.226 Cc1nccc(NCC(=O)O)n1 Amb18997316 [0,1,0,0,0,1|1,0,1]=4 2296 B12R1.226 Cc1nncc(CCC(=O)O)n1 Amb18827290 [0,1,0,0,0,1|0,0,1]=3 2297 B12R1.226 NC(=O)CCc1cncc(Br)c1 Amb28255889 [0,1,0,0,0,1|2,0,0]=4 2298 B12R1.226 Nc1cc(CCC(=O)O)ccn1 Amb24105413 [0,1,0,0,0,1|1,0,1]=4 2299 B12R1.226 Nc1cccc(CCC(=O)O)c1 Amb2684507 [0,1,0,0,0,1|2,0,0]=4 2300 B12R1.226 Nc1cccc(CCC(=O)O)c1 Amb2692058 [0,1,0,0,0,1|2,0,0]=4 2301 B12R1.226 Nc1ccnc(CCC(=O)O)n1 Amb18827285 [0,1,0,0,0,1|1,0,0]=3 2302 B12R1.226 Nc1ccnc(SCC(=O)O)n1 Amb17594779 [0,1,0,0,0,1|2,0,0]=4 2303 B12R1.226 Nc1nccc(CCC(=O)O)n1 Amb18827317 [0,1,0,0,0,1|0,0,1]=3 2304 B12R1.226 Nc1nccc(OCC(=O)O)n1 Amb27209363 [0,1,0,0,0,1|1,0,1]=4 2305 B12R1.226 Nc1nccc(SCC(=O)O)n1 Amb27592188 [0,1,0,0,0,1|1,0,1]=4 2306 B12R1.226 Nc1ncnc(SCC(=O)O)n1 Amb9901669 [0,1,0,0,0,1|1,0,1]=4 2307 B12R1.226 O=C(O)CCC1=CC=CC(=O)N1 Amb26373711 [0,1,0,0,0,1|1,0,1]=4 2308 B12R1.226 O=C(O)CCC1=CC=CC(=O)N1 Amb33620710 [0,1,0,0,0,1|1,0,1]=4 2309 B12R1.226 O=C(O)CCC1=CC=CC(=O)O1 Amb27865517 [0,1,0,0,0,1|2,0,0]=4 2310 B12R1.226 O=C(O)CCc1cc(Br)ccn1 Amb27780846 [0,1,0,0,0,1|1,0,0]=3 2311 B12R1.226 O=C(O)CCc1cc(F)ccn1 Amb22886576 [0,1,0,0,0,1|1,0,0]=3 2312 B12R1.226 O=C(O)CCc1cc(O)ncn1 Amb18862743 [0,1,0,0,0,1|0,0,1]=3 2313 B12R1.226 O=C(O)CCc1cccc(Br)c1 Amb1209216 [0,1,0,0,0,1|2,0,0]=4 2314 B12R1.226 O=C(O)CCc1cccc(Br)n1 Amb26023781 [0,1,0,0,0,1|1,0,0]=3 2315 B12R1.226 O=C(O)CCc1cccc(Cl)c1 Amb1672952 [0,1,0,0,0,1|2,0,0]=4 2316 B12R1.226 O=C(O)CCc1cccc(Cl)n1 Amb27774864 [0,1,0,0,0,1|1,0,0]=3 2317 B12R1.226 O=C(O)CCc1cccc(F)c1 Amb1091868 [0,1,0,0,0,1|2,0,0]=4 2318 B12R1.226 O=C(O)CCc1cccc(F)n1 Amb27395763 [0,1,0,0,0,1|1,0,0]=3 2319 B12R1.226 O=C(O)CCc1cccc(I)c1 Amb16232982 [0,1,0,0,0,1|2,0,0]=4 2320 B12R1.226 O=C(O)CCc1cccc(O)c1 Amb2688781 [0,1,0,0,0,1|2,0,0]=4 2321 B12R1.226 O=C(O)CCc1ccnc(Cl)c1 Amb27458246 [0,1,0,0,0,1|1,0,1]=4 2322 B12R1.226 O=C(O)CCc1ccnc(O)c1 Amb26859372 [0,1,0,0,0,1|1,0,1]=4 2323 B12R1.226 O=C(O)CCc1ccnc(O)n1 Amb18826808 [0,1,0,0,0,1|0,0,1]=3 2324 B12R1.226 O=C(O)CCc1cncc(Br)c1 Amb27197768 [0,1,0,0,0,1|1,0,0]=3 2325 B12R1.226 O=C(O)CCc1cncc(Br)c1 Amb28600243 [0,1,0,0,0,1|1,0,0]=3 2326 B12R1.226 O=C(O)CCc1cncc(F)c1 Amb23450303 [0,1,0,0,0,1|1,0,0]=3 2327 B12R1.226 O=C(O)CCc1cncc(O)c1 Amb24435210 [0,1,0,0,0,1|1,0,0]=3 2328 B12R1.226 O=C(O)CCc1nccc(O)n1 Amb18862742 [0,1,0,0,0,1|1,0,0]=3 2329 B12R1.226 O=C(O)CNC1=NC(=O)NN=C1 Amb25114707 [0,1,0,0,0,1|1,0,0]=3 2330 B12R1.226 O=C(O)CNc1cc(Cl)cnn1 Amb24351146 [0,1,0,0,0,1|2,0,0]=4 2331 B12R1.226 O=C(O)CNc1cccc(Cl)n1 Amb25736170 [0,1,0,0,0,1|2,0,0]=4 2332 B12R1.226 O=C(O)CNc1cccc(F)n1 Amb27471101 [0,1,0,0,0,1|2,0,0]=4 2333 B12R1.226 O=C(O)CNc1ccnc(Cl)n1 Amb25859336 [0,1,0,0,0,1|1,0,1]=4 2334 B12R1.226 O=C(O)CNc1cncc(Cl)c1 Amb35706919 [0,1,0,0,0,1|2,0,0]=4 2335 B12R1.226 O=C(O)CNc1cncc(Cl)n1 Amb19889628 [0,1,0,0,0,1|1,0,1]=4 2336 B12R1.226 O=C(O)CNc1cncc(F)c1 Amb28251708 [0,1,0,0,0,1|2,0,0]=4 2337 B12R1.226 O=C(O)CNc1cncc(F)n1 Amb35708471 [0,1,0,0,0,1|1,0,1]=4 2338 B12R1.226 O=C(O)CNc1nccc(Cl)n1 Amb19889637 [0,1,0,0,0,1|2,0,0]=4 2339 B12R1.226 O=C(O)COC1=CC(=O)NC=C1 Amb32946294 [0,1,0,0,0,1|2,0,0]=4 2340 B12R1.226 O=C(O)COC1=CC(=O)NC=N1 Amb27783783 [0,1,0,0,0,1|1,0,0]=3 2341 B12R1.226 O=C(O)COc1cc(Br)ccn1 Amb18660970 [0,1,0,0,0,1|2,0,0]=4 2342 B12R1.226 O=C(O)COc1cc(Cl)ccn1 Amb2609896 [0,1,0,0,0,1|2,0,0]=4 2343 B12R1.226 O=C(O)COc1cc(Cl)ncn1 Amb32946297 [0,1,0,0,0,1|1,0,1]=4 2344 B12R1.226 O=C(O)COc1cc(F)ccn1 Amb33325484 [0,1,0,0,0,1|2,0,0]=4 2345 B12R1.226 O=C(O)COc1cccc(Br)n1 Amb33433825 [0,1,0,0,0,1|2,0,0]=4 2346 B12R1.226 O=C(O)COc1cccc(Cl)n1 Amb28365549 [0,1,0,0,0,1|2,0,0]=4 2347 B12R1.226 O=C(O)COc1cncc(Br)c1 Amb33545391 [0,1,0,0,0,1|2,0,0]=4 2348 B12R1.226 O=C(O)COc1cncc(Cl)c1 Amb26875815 [0,1,0,0,0,1|2,0,0]=4 2349 B12R1.226 O=C(O)COc1cncc(Cl)n1 Amb26032281 [0,1,0,0,0,1|1,0,1]=4 2350 B12R1.226 O=C(O)COc1cncc(Cl)n1 Amb29083386 [0,1,0,0,0,1|1,0,1]=4 2351 B12R1.226 O=C(O)COc1cncc(F)c1 Amb25760871 [0,1,0,0,0,1|2,0,0]=4 2352 B12R1.226 O=C(O)COc1cncc(F)n1 Amb35712034 [0,1,0,0,0,1|1,0,1]=4 2353 B12R1.226 O=C(O)CSc1cncc(Br)c1 Amb28062088 [0,1,0,0,0,1|2,0,0]=4 2354 B12R1.226 O=C(O)CSc1cncc(Cl)n1 Amb10608613 [0,1,0,0,0,1|1,0,1]=4 2355 B12R1.226 O=C(O)CSc1cncc(F)n1 Amb35719419 [0,1,0,0,0,1|1,0,1]=4 2356 B12R1.891 O=P(O)(O)CCc1ccccn1 Amb3354896 [0,1,0,0,0,1|2,0,0]=4 2357 B12R1.891 O=S(=O)(O)CCc1ccccn1 Amb2721298 [0,1,0,0,0,1|2,0,0]=4 2358 B12R1.54 CC(CCC(=O)O)c1cccs1 Amb5739880 [0,1,0,0,0,1|2,0,0]=4 2359 B12R1.54 CC(NCC(=O)O)c1cscn1 Amb19648852 [0,1,0,0,0,1|1,0,0]=3 2360 B12R1.54 CC(NCC(=O)O)c1nccs1 Amb21862141 [0,1,0,0,0,1|2,0,0]=4 2361 B12R1.54 NC(CCC(=O)O)c1ccco1 Amb33079728 [0,1,0,0,0,1|2,0,0]=4 2362 B12R1.54 NC(CCC(=O)O)c1cccs1 Amb6740425 [0,1,0,0,0,1|2,0,0]=4 2363 B12R1.54 NC(CCC(=O)O)c1ccoc1 Amb33079093 [0,1,0,0,0,1|2,0,0]=4 2364 B12R1.54 NC(CCC(=O)O)c1ccon1 Amb33198797 [0,1,0,0,0,1|2,0,0]=4 2365 B12R1.54 NC(CCC(=O)O)c1ccsc1 Amb33172348 [0,1,0,0,0,1|2,0,0]=4 2366 B12R1.54 NC(CCC(=O)O)c1cnco1 Amb33415761 [0,1,0,0,0,1|1,0,1]=4 2367 B12R1.54 NC(CCC(=O)O)c1cncs1 Amb33269876 [0,1,0,0,0,1|1,0,1]=4 2368 B12R1.54 NC(CCC(=O)O)c1cscn1 Amb33319119 [0,1,0,0,0,1|1,0,0]=3 2369 B12R1.54 NC(CCC(=O)O)c1csnn1 Amb33223711 [0,1,0,0,0,1|2,0,0]=4 2370 B12R1.54 NC(CCC(=O)O)c1nccs1 Amb33311579 [0,1,0,0,0,1|2,0,0]=4 2371 B12R1.54 O=C(O)CCC(=O)c1ccco1 Amb2721880 [0,1,0,0,0,1|2,0,0]=4 2372 B12R1.54 O=C(O)CCC(=O)c1cccs1 Amb1102808 [0,1,0,0,0,1|2,0,0]=4 2373 B12R1.54 O=C(O)CCC(=O)c1ccon1 Amb18826236 [0,1,0,0,0,1|2,0,0]=4 2374 B12R1.54 O=C(O)CCC(=O)c1cnco1 Amb18826237 [0,1,0,0,0,1|1,0,1]=4 2375 B12R1.54 O=C(O)CCC(=O)c1cncs1 Amb18822531 [0,1,0,0,0,1|1,0,1]=4 2376 B12R1.54 O=C(O)CCC(=O)c1ncco1 Amb18826234 [0,1,0,0,0,1|2,0,0]=4 2377 B12R1.54 O=C(O)CCC(O)c1cccs1 Amb5740016 [0,1,0,0,0,1|2,0,0]=4 2378 B12R1.54 O=C(O)CCC(O)c1cscn1 Amb18821626 [0,1,0,0,0,1|1,0,0]=3 2379 B12R1.54 O=C(O)CCC(O)c1ncns1 Amb18821132 [0,1,0,0,0,1|1,0,1]=4 2380 B12R1.54 O=C(O)CNC(=O)c1cscn1 Amb19002012 [0,1,0,0,0,1|1,0,1]=4 2381 B12R1.105 CC(=O)NCCc1cn(C)nn1 Amb28251171 [0,1,0,0,0,1|2,0,0]=4 2382 B12R1.105 CC(=O)NCCc1csc(C)n1 Amb4179549 [0,1,0,0,0,1|2,0,0]=4 2383 B12R1.105 CC(C)=CCCc1cn(C)cn1 Amb35582909 [0,1,0,0,0,1|2,0,0]=4 2384 B12R1.105 Cc1cc(CCCC(=O)O)no1 Amb18826180 [0,1,0,0,0,1|2,0,0]=4 2385 B12R1.105 Cc1cc(COCC(=O)O)no1 Amb6891390 [0,1,0,0,0,1|2,0,0]=4 2386 B12R1.105 Cc1cc(CSCC(=O)O)no1 Amb6745646 [0,1,0,0,0,1|2,0,0]=4 2387 B12R1.105 Cc1cc(NCCC(=O)O)no1 Amb18604606 [0,1,0,0,0,1|2,0,0]=4 2388 B12R1.105 Cc1ccc(CCCC(=O)O)o1 Amb18646924 [0,1,0,0,0,1|2,0,0]=4 2389 B12R1.105 Cc1ccc(CCCC(=O)O)s1 Amb3932941 [0,1,0,0,0,1|2,0,0]=4 2390 B12R1.105 Cc1ccc(CNCC(=O)O)o1 Amb2592350 [0,1,0,0,0,1|2,0,0]=4 2391 B12R1.105 Cc1ccc(CNCC(=O)O)s1 Amb8827619 [0,1,0,0,0,1|2,0,0]=4 2392 B12R1.105 Cc1ccn(CCCC(=O)O)n1 Amb6888991 [0,1,0,0,0,1|2,0,0]=4 2393 B12R1.105 Cc1cnc(CCCC(=O)O)o1 Amb18826181 [0,1,0,0,0,1|2,0,0]=4 2394 B12R1.105 Cc1cnc(CNCC(=O)O)s1 Amb19648810 [0,1,0,0,0,1|2,0,0]=4 2395 B12R1.105 Cc1cnc(COCC(=O)O)o1 Amb32420391 [0,1,0,0,0,1|2,0,0]=4 2396 B12R1.105 Cc1cnn(CCCC(=O)O)c1 Amb6888347 [0,1,0,0,0,1|2,0,0]=4 2397 B12R1.105 Cc1cnn(CSCC(=O)O)c1 Amb6888909 [0,1,0,0,0,1|2,0,0]=4 2398 B12R1.105 Cc1coc(CCCC(=O)O)n1 Amb18862808 [0,1,0,0,0,1|2,0,0]=4 2399 B12R1.105 Cc1csc(CCCC(=O)O)c1 Amb18648975 [0,1,0,0,0,1|2,0,0]=4 2400 B12R1.105 Cc1csc(CCCC(=O)O)n1 Amb18863136 [0,1,0,0,0,1|2,0,0]=4 2401 B12R1.105 Cc1csc(NCCC(=O)O)n1 Amb6273556 [0,1,0,0,0,1|2,0,0]=4 2402 B12R1.105 Cc1nc(CCCC(=O)O)co1 Amb18826157 [0,1,0,0,0,1|1,0,0]=3 2403 B12R1.105 Cc1nc(CCCC(=O)O)cs1 Amb18062603 [0,1,0,0,0,1|1,0,0]=3 2404 B12R1.105 Cc1nc(CCCC(=O)O)no1 Amb18825771 [0,1,0,0,0,1|2,0,0]=4 2405 B12R1.105 Cc1nc(CCNC(N)=O)cs1 Amb27178596 [0,1,0,0,0,1|2,0,0]=4 2406 B12R1.105 Cc1nc(COCC(=O)O)cs1 Amb31157075 [0,1,0,0,0,1|1,0,0]=3 2407 B12R1.105 Cc1nc(COCC(=O)O)cs1 Amb33078491 [0,1,0,0,0,1|1,0,0]=3 2408 B12R1.105 Cc1nc(CSCC(=O)O)cs1 Amb2359893 [0,1,0,0,0,1|1,0,0]=3 2409 B12R1.105 Cc1nc(CSCC(=O)O)no1 Amb2372344 [0,1,0,0,0,1|2,0,0]=4 2410 B12R1.105 Cc1ncc(CCCC(=O)O)s1 Amb18822435 [0,1,0,0,0,1|1,0,1]=4 2411 B12R1.105 Cc1ncc(COCC(=O)O)s1 Amb31157076 [0,1,0,0,0,1|1,0,1]=4 2412 B12R1.105 Cc1ncc(COCC(=O)O)s1 Amb33309994 [0,1,0,0,0,1|1,0,1]=4 2413 B12R1.105 Cc1ncn(CCCC(=O)O)n1 Amb18254470 [0,1,0,0,0,1|1,0,1]=4 2414 B12R1.105 Cc1noc(CCCC(=O)O)n1 Amb7807492 [0,1,0,0,0,1|1,0,1]=4 2415 B12R1.105 Cc1noc(COCC(=O)O)n1 Amb8010418 [0,1,0,0,0,1|1,0,1]=4 2416 B12R1.105 Cc1noc(CSCC(=O)O)n1 Amb6745651 [0,1,0,0,0,1|1,0,1]=4 2417 B12R1.105 Cc1nsc(CCCC(=O)O)n1 Amb18822060 [0,1,0,0,0,1|1,0,1]=4 2418 B12R1.105 Cn1cc(CCCC(=O)O)cn1 Amb7784817 [0,1,0,0,0,1|2,0,0]=4 2419 B12R1.105 Cn1cc(NCCC(=O)O)cn1 Amb18270304 [0,1,0,0,0,1|2,0,0]=4 2420 B12R1.105 Cn1ccc(CCCC(=O)O)c1 Amb18563803 [0,1,0,0,0,1|1,0,0]=3 2421 B12R1.105 Cn1ccc(CCCC(=O)O)n1 Amb33429834 [0,1,0,0,0,1|2,0,0]=4 2422 B12R1.105 Cn1ccc(CNCC(=O)O)c1 Amb18893574 [0,1,0,0,0,1|1,0,0]=3 2423 B12R1.105 Cn1ccc(\C=C\CC(=O)O)c1 Amb18563676 [0,1,0,0,0,1|1,0,1]=4 2424 B12R1.105 Cn1cnc(CCCC(=O)O)c1 Amb33473864 [0,1,0,0,0,1|0,0,0]=2 2425 B12R1.105 Cn1cnc(CCNC(=N)N)c1 Amb27165792 [0,1,0,0,0,1|2,0,0]=4 2426 B12R1.105 Cn1cnc(CCNC(=O)Cl)c1 Amb35633302 [0,1,0,0,0,1|1,0,0]=3 2427 B12R1.105 Cn1cnc(CCNC(=O)Cl)n1 Amb35633342 [0,1,0,0,0,1|2,0,0]=4 2428 B12R1.105 Cn1cnc(CCNC(N)=O)c1 Amb28074936 [0,1,0,0,0,1|1,0,0]=3 2429 B12R1.105 Cn1cnc(CCNC(N)=O)n1 Amb28206518 [0,1,0,0,0,1|2,0,0]=4 2430 B12R1.105 Cn1cnc(CCNC(N)=S)c1 Amb28043269 [0,1,0,0,0,1|1,1,0]=4 2431 B12R1.105 Cn1cnc(COCC(=O)O)c1 Amb32946388 [0,1,0,0,0,1|0,0,0]=2 2432 B12R1.105 Nc1cnc(CCCC(=O)O)o1 Amb18825729 [0,1,0,0,0,1|2,0,0]=4 2433 B12R1.105 Nc1nc(CCCC(=O)O)cs1 Amb20667817 [0,1,0,0,0,1|1,0,0]=3 2434 B12R1.105 Nc1nc(CSCC(=O)O)cs1 Amb7969790 [0,1,0,0,0,1|1,0,0]=3 2435 B12R1.105 Nc1noc(CCCC(=O)O)n1 Amb18825451 [0,1,0,0,0,1|1,0,1]=4 2436 B12R1.105 O=C(O)CCCC1=CC(=O)NN1 Amb18825802 [0,1,0,0,0,1|2,0,0]=4 2437 B12R1.105 O=C(O)CCCC1=CC(=O)NO1 Amb18825459 [0,1,0,0,0,1|2,0,0]=4 2438 B12R1.105 O=C(O)CCCC1=NNC(=O)C1 Amb18825794 [0,1,0,0,0,1|2,0,0]=4 2439 B12R1.105 O=C(O)CCCC1=NNC(=O)N1 Amb19015044 [0,1,0,0,0,1|1,0,1]=4 2440 B12R1.105 O=C(O)CCCc1cc(Br)co1 Amb33431934 [0,1,0,0,0,1|2,0,0]=4 2441 B12R1.105 O=C(O)CCCc1cc(Br)cs1 Amb18072087 [0,1,0,0,0,1|2,0,0]=4 2442 B12R1.105 O=C(O)CCCc1cc(Cl)cs1 Amb33058551 [0,1,0,0,0,1|2,0,0]=4 2443 B12R1.105 O=C(O)CCCc1ccc(Br)o1 Amb33430581 [0,1,0,0,0,1|2,0,0]=4 2444 B12R1.105 O=C(O)CCCc1ccc(Br)s1 Amb33532178 [0,1,0,0,0,1|2,0,0]=4 2445 B12R1.105 O=C(O)CCCc1ccc(Cl)o1 Amb33258669 [0,1,0,0,0,1|2,0,0]=4 2446 B12R1.105 O=C(O)CCCc1ccc(Cl)s1 Amb3932942 [0,1,0,0,0,1|2,0,0]=4 2447 B12R1.105 O=C(O)CCCc1cnc(Cl)s1 Amb33221404 [0,1,0,0,0,1|1,0,1]=4 2448 B12R1.105 O=C(O)CCCc1csc(Br)c1 Amb33433590 [0,1,0,0,0,1|2,0,0]=4 2449 B12R1.105 O=C(O)CCCc1csc(Br)n1 Amb33335864 [0,1,0,0,0,1|1,0,0]=3 2450 B12R1.105 O=C(O)CCCc1nc(Br)no1 Amb18159145 [0,1,0,0,0,1|1,0,1]=4 2451 B12R1.105 O=C(O)CCCc1ncc(Br)s1 Amb33451423 [0,1,0,0,0,1|2,0,0]=4 2452 B12R1.105 O=C(O)CCCn1cc(Br)cn1 Amb6888990 [0,1,0,0,0,1|2,0,0]=4 2453 B12R1.105 O=C(O)CCCn1cc(Cl)cn1 Amb6888989 [0,1,0,0,0,1|2,0,0]=4 2454 B12R1.105 O=C(O)CCCn1cc(I)cn1 Amb23570858 [0,1,0,0,0,1|2,0,0]=4 2455 B12R1.105 O=C(O)CCCn1cc(O)cn1 Amb18825736 [0,1,0,0,0,1|2,0,0]=4 2456 B12R1.105 O=C(O)CCCn1cnc(Cl)n1 Amb22803175 [0,1,0,0,0,1|1,0,1]=4 2457 B12R1.105 O=C(O)CCNC1=NC(=O)CS1 Amb2721968 [0,1,0,0,0,1|2,0,0]=4 2458 B12R1.105 O=C(O)CCSc1ccc(Br)s1 Amb17083021 [0,1,0,0,0,1|2,0,0]=4 2459 B12R1.105 O=C(O)CCSc1ccc(Cl)s1 Amb17083016 [0,1,0,0,0,1|2,0,0]=4 2460 B12R1.105 O=C(O)CNCc1cc(Br)cs1 Amb8827569 [0,1,0,0,0,1|2,0,0]=4 2461 B12R1.105 O=C(O)CNCc1ccc(Br)s1 Amb8827643 [0,1,0,0,0,1|2,0,0]=4 2462 B12R1.105 O=C(O)CNCc1ccc(Cl)s1 Amb20623627 [0,1,0,0,0,1|2,0,0]=4 2463 B12R1.105 O=C(O)CNCc1ccc(Cl)s1 Amb8827615 [0,1,0,0,0,1|2,0,0]=4 2464 B12R1.105 O=C(O)CNCc1ccc(F)s1 Amb31210028 [0,1,0,0,0,1|2,0,0]=4 2465 B12R1.105 O=C(O)CNCc1cnc(Cl)s1 Amb10597611 [0,1,0,0,0,1|1,0,1]=4 2466 B12R1.105 O=C(O)COCc1cnc(Br)s1 Amb32946373 [0,1,0,0,0,1|1,0,1]=4 2467 B12R1.105 O=C(O)CSCc1ccc(Cl)o1 Amb32789190 [0,1,0,0,0,1|2,0,0]=4 2468 B12R1.105 O=C(O)CSCc1ccc(Cl)s1 Amb33640 [0,1,0,0,0,1|2,0,0]=4 2469 B12R1.105 O=C(O)CSCn1cc(Br)cn1 Amb6888910 [0,1,0,0,0,1|2,0,0]=4 2470 B12R1.105 O=C(O)CSCn1cc(Cl)cn1 Amb2692982 [0,1,0,0,0,1|2,0,0]=4 2471 B12R1.130 Cc1ccoc1CCCC(=O)O Amb33343124 [0,1,0,0,0,1|2,0,0]=4 2472 B12R1.130 Cc1ccoc1CSCC(=O)O Amb32987538 [0,1,0,0,0,1|2,0,0]=4 2473 B12R1.130 Cc1ccsc1CCCC(=O)O Amb19019575 [0,1,0,0,0,1|2,0,0]=4 2474 B12R1.130 Cc1ccsc1CNCC(=O)O Amb9202474 [0,1,0,0,0,1|2,0,0]=4 2475 B12R1.130 Cc1cscc1CCCC(=O)O Amb33146519 [0,1,0,0,0,1|2,0,0]=4 2476 B12R1.130 Cc1ncnn1CCCC(=O)O Amb18254481 [0,1,0,0,0,1|1,0,1]=4 2477 B12R1.130 Cc1ncoc1CCCC(=O)O Amb18826176 [0,1,0,0,0,1|1,0,1]=4 2478 B12R1.130 Cc1ncsc1CCCC(=O)O Amb19075245 [0,1,0,0,0,1|1,0,1]=4 2479 B12R1.130 Cc1ncsc1COCC(=O)O Amb31157069 [0,1,0,0,0,1|1,0,1]=4 2480 B12R1.130 Cc1nonc1CSCC(=O)O Amb5559651 [0,1,0,0,0,1|1,0,1]=4 2481 B12R1.130 Cc1occc1CCCC(=O)O Amb33274353 [0,1,0,0,0,1|2,0,0]=4 2482 B12R1.130 Cn1cccc1CCCC(=O)O Amb33203977 [0,1,0,0,0,1|1,0,1]=4 2483 B12R1.130 Cn1ccnc1CCCC(=O)O Amb18826684 [0,1,0,0,0,1|2,0,0]=4 2484 B12R1.130 Cn1ccnc1CNCC(=O)O Amb9325856 [0,1,0,0,0,1|2,0,0]=4 2485 B12R1.130 Cn1ccnc1COCC(=O)O Amb9777186 [0,1,0,0,0,1|2,0,0]=4 2486 B12R1.130 Cn1ccnc1NCCC(=O)O Amb18793295 [0,1,0,0,0,1|2,0,0]=4 2487 B12R1.130 Cn1ccnc1SCCC(=O)O Amb10609844 [0,1,0,0,0,1|2,0,0]=4 2488 B12R1.130 Cn1ccnc1SCCC(=O)O Amb1136673 [0,1,0,0,0,1|2,0,0]=4 2489 B12R1.130 Cn1cncc1CCCC(=O)O Amb33080300 [0,1,0,0,0,1|0,0,2]=4 2490 B12R1.130 Cn1ncnc1COCC(=O)O Amb33531379 [0,1,0,0,0,1|1,0,1]=4 2491 B12R1.130 O=C(O)CCCc1sccc1Br Amb33451634 [0,1,0,0,0,1|2,0,0]=4 2492 B12R1.130 O=C(O)CCCc1sccc1Cl Amb33390591 [0,1,0,0,0,1|2,0,0]=4 2493 B12R1.130 O=C(O)CCCn1ncnc1Br Amb22803186 [0,1,0,0,0,1|1,0,1]=4 2494 B12R1.130 O=C(O)CCCn1ncnc1Cl Amb22803174 [0,1,0,0,0,1|1,0,1]=4 2495 B12R1.260 CC(CC(=O)O)Cc1ccco1 Amb17334712 [0,1,0,0,0,1|2,0,0]=4 2496 B12R1.260 CC(CC(=O)O)Cc1cccs1 Amb17335692 [0,1,0,0,0,1|2,0,0]=4 2497 B12R1.260 CC(CC(=O)O)Sc1cccs1 Amb9398140 [0,1,0,0,0,1|2,0,0]=4 2498 B12R1.260 CN(CC(=O)O)Cc1ccco1 Amb9239052 [0,1,0,0,0,1|2,0,0]=4 2499 B12R1.260 CN(CC(=O)O)Cc1cccs1 Amb22546269 [0,1,0,0,0,1|2,0,0]=4 2500 B12R1.260 CN(CC(=O)O)Cc1cccs1 Amb9239034 [0,1,0,0,0,1|2,0,0]=4 2501 B12R1.260 CN(CC(=O)O)Cc1ccsc1 Amb9251785 [0,1,0,0,0,1|2,0,0]=4 2502 B12R1.260 CN(CC(=O)O)Cc1cncs1 Amb21862100 [0,1,0,0,0,1|1,0,1]=4 2503 B12R1.260 C[C@@H](CC(=O)O)Sc1cccs1 Amb17686275 [0,1,0,0,0,1|2,0,0]=4 2504 B12R1.260 NC(CC(=O)O)Cc1ccco1 Amb17470474 [0,1,0,0,0,1|2,0,0]=4 2505 B12R1.260 NC(CC(=O)O)Cc1cccs1 Amb17470677 [0,1,0,0,0,1|2,0,0]=4 2506 B12R1.260 NC(CC(=O)O)Cc1cccs1 Amb33512732 [0,1,0,0,0,1|2,0,0]=4 2507 B12R1.260 NC(CC(=O)O)Cc1cncs1 Amb18822048 [0,1,0,0,0,1|1,0,1]=4 2508 B12R1.260 N[C@@H](CC(=O)O)Cc1cccs1 Amb24106410 [0,1,0,0,0,1|2,0,0]=4 2509 B12R1.260 N[C@@H](CC(=O)O)Cc1ccsc1 Amb33726073 [0,1,0,0,0,1|2,0,0]=4 2510 B12R1.260 N[C@H](CC(=O)O)Cc1ccco1 Amb2699215 [0,1,0,0,0,1|2,0,0]=4 2511 B12R1.260 N[C@H](CC(=O)O)Cc1ccsc1 Amb24106405 [0,1,0,0,0,1|2,0,0]=4 2512 B12R1.260 O=C(O)CC(Br)Cc1cccs1 Amb18111161 [0,1,0,0,0,1|2,0,0]=4 2513 B12R1.260 O=C(O)CC(Cl)Cc1cccs1 Amb18111160 [0,1,0,0,0,1|2,0,0]=4 2514 B12R1.260 O=C(O)CS(=O)Cc1ccco1 Amb8391046 [0,1,0,0,0,1|2,0,0]=4 2515 B12R1.264 C=C(CCc1ccsc1)C(=O)O Amb33321205 [0,1,0,0,0,1|2,0,0]=4 2516 B12R1.264 C=C(CCn1cccn1)C(=O)O Amb32726907 [0,1,0,0,0,1|2,0,0]=4 2517 B12R1.264 C=C(CCn1cncn1)C(=O)O Amb32725187 [0,1,0,0,0,1|1,0,1]=4 2518 B12R1.264 CC(CCc1ccco1)C(=O)O Amb17232664 [0,1,0,0,0,1|2,0,0]=4 2519 B12R1.264 CC(CCc1cccs1)C(=O)O Amb17234091 [0,1,0,0,0,1|2,0,0]=4 2520 B12R1.264 CC(CCc1ccoc1)C(=O)O Amb33360359 [0,1,0,0,0,1|2,0,0]=4 2521 B12R1.264 CC(CCc1ccon1)C(=O)O Amb33199365 [0,1,0,0,0,1|2,0,0]=4 2522 B12R1.264 CC(CCc1ccsc1)C(=O)O Amb32953612 [0,1,0,0,0,1|2,0,0]=4 2523 B12R1.264 CC(CCc1cnco1)C(=O)O Amb33319931 [0,1,0,0,0,1|1,0,1]=4 2524 B12R1.264 CC(CCc1cncs1)C(=O)O Amb33172551 [0,1,0,0,0,1|1,0,1]=4 2525 B12R1.264 CC(CCc1cscn1)C(=O)O Amb33319257 [0,1,0,0,0,1|1,0,0]=3 2526 B12R1.264 CC(CCc1csnn1)C(=O)O Amb33429754 [0,1,0,0,0,1|2,0,0]=4 2527 B12R1.264 CC(CCc1nccs1)C(=O)O Amb33449995 [0,1,0,0,0,1|2,0,0]=4 2528 B12R1.264 CC(CCn1cccn1)C(=O)O Amb32727018 [0,1,0,0,0,1|2,0,0]=4 2529 B12R1.264 CC(CCn1cncn1)C(=O)O Amb32726015 [0,1,0,0,0,1|1,0,1]=4 2530 B12R1.264 CC(NCc1ccco1)C(=O)O Amb2592333 [0,1,0,0,0,1|2,0,0]=4 2531 B12R1.264 CC(NCc1cccs1)C(=O)O Amb9326923 [0,1,0,0,0,1|2,0,0]=4 2532 B12R1.264 CC(NCc1ccsc1)C(=O)O Amb9511210 [0,1,0,0,0,1|2,0,0]=4 2533 B12R1.264 CC(NCc1nccs1)C(=O)O Amb30622018 [0,1,0,0,0,1|2,0,0]=4 2534 B12R1.264 CC(OCc1cncs1)C(=O)O Amb28963361 [0,1,0,0,0,1|1,0,1]=4 2535 B12R1.264 CC(OCc1cncs1)C(=O)O Amb32662923 [0,1,0,0,0,1|1,0,1]=4 2536 B12R1.264 CC(SCc1ccco1)C(=O)O Amb2721954 [0,1,0,0,0,1|2,0,0]=4 2537 B12R1.264 NC(CCc1ccco1)C(=O)O Amb17470473 [0,1,0,0,0,1|2,0,0]=4 2538 B12R1.264 NC(CCc1cccs1)C(=O)O Amb17470676 [0,1,0,0,0,1|2,0,0]=4 2539 B12R1.264 NC(CCc1ccsc1)C(=O)O Amb32788699 [0,1,0,0,0,1|2,0,0]=4 2540 B12R1.264 NC(CCn1cccn1)C(=O)O Amb19017346 [0,1,0,0,0,1|2,0,0]=4 2541 B12R1.264 NC(CCn1cncn1)C(=O)O Amb18316153 [0,1,0,0,0,1|1,0,1]=4 2542 B12R1.264 N[C@@H](CCc1cccs1)C(=O)O Amb33065951 [0,1,0,0,0,1|2,0,0]=4 2543 B12R1.264 N[C@@H](CCc1ccsc1)C(=O)O Amb33065931 [0,1,0,0,0,1|2,0,0]=4 2544 B12R1.264 N[C@@H](CCn1cccn1)C(=O)O Amb33065821 [0,1,0,0,0,1|2,0,0]=4 2545 B12R1.264 N[C@@H](CCn1cncn1)C(=O)O Amb33066111 [0,1,0,0,0,1|1,0,1]=4 2546 B12R1.264 N[C@H](CCc1cccs1)C(=O)O Amb32864929 [0,1,0,0,0,1|2,0,0]=4 2547 B12R1.264 N[C@H](CCc1ccsc1)C(=O)O Amb33036520 [0,1,0,0,0,1|2,0,0]=4 2548 B12R1.264 N[C@H](CCn1cccn1)C(=O)O Amb33308959 [0,1,0,0,0,1|2,0,0]=4 2549 B12R1.264 N[C@H](CCn1cncn1)C(=O)O Amb33065502 [0,1,0,0,0,1|1,0,1]=4 2550 B12R1.264 O=C(O)C(=O)CCc1ccon1 Amb18826230 [0,1,0,0,0,1|2,0,0]=4 2551 B12R1.264 O=C(O)C(=O)CCc1ccsc1 Amb33322019 [0,1,0,0,0,1|2,0,0]=4 2552 B12R1.264 O=C(O)C(=O)CCn1cccn1 Amb32727007 [0,1,0,0,0,1|2,0,0]=4 2553 B12R1.264 O=C(O)C(=O)CCn1cncn1 Amb32726005 [0,1,0,0,0,1|1,0,1]=4 2554 B12R1.264 O=C(O)C(=O)NCc1cocn1 Amb28256430 [0,1,0,0,0,1|1,0,1]=4 2555 B12R1.264 O=C(O)C(=O)NCc1cscn1 Amb24483507 [0,1,0,0,0,1|1,0,1]=4 2556 B12R1.264 O=C(O)C(O)CCc1ccsc1 Amb33172646 [0,1,0,0,0,1|2,0,0]=4 2557 B12R1.264 O=C(O)C(O)CCn1cccn1 Amb32727006 [0,1,0,0,0,1|2,0,0]=4 2558 B12R1.264 O=C(O)C(O)CCn1cncn1 Amb33743908 [0,1,0,0,0,1|1,0,1]=4 2559 B12R1.477 C#CC(=O)NCCc1cscn1 Amb28045481 [0,1,0,0,0,1|2,0,0]=4 2560 B12R1.477 COC(=O)CCCc1cccs1 Amb448996 [0,1,0,0,0,1|2,0,0]=4 2561 B12R1.477 COC(=O)CCCc1nccs1 Amb32652213 [0,1,0,0,0,1|2,0,0]=4 2562 B12R1.477 COC(=O)CCNc1nccs1 Amb19075740 [0,1,0,0,0,1|2,0,0]=4 2563 B12R1.477 COC(=O)CNCc1ccco1 Amb6686981 [0,1,0,0,0,1|2,0,0]=4 2564 B12R1.477 COC(=O)COCc1ccco1 Amb9202943 [0,1,0,0,0,1|2,0,0]=4 2565 B12R1.477 COC(=O)CSCc1ccco1 Amb6357576 [0,1,0,0,0,1|2,0,0]=4 2566 B12R1.477 NNC(=O)NCCc1cscn1 Amb27250097 [0,1,0,0,0,1|2,0,0]=4 2567 B12R1.15 COC(=O)CC(=O)c1cscn1 Amb8011749 [0,2,0,0,0,0|1,0,1]=4 2568 B12R1.15 COC(=O)CC(C)c1cccs1 Amb17234093 [0,2,0,0,0,0|2,0,0]=4 2569 B12R1.15 COC(=O)CC(C)c1nccs1 Amb17335763 [0,2,0,0,0,0|2,0,0]=4 2570 B12R1.15 COC(=O)CC(C)n1cncn1 Amb9398180 [0,2,0,0,0,0|1,0,1]=4 2571 B12R1.15 COC(=O)CC(N)c1ccco1 Amb34913732 [0,2,0,0,0,0|2,0,0]=4 2572 B12R1.15 COC(=O)CC(N)c1ccco1 Amb9211622 [0,2,0,0,0,0|2,0,0]=4 2573 B12R1.15 COC(=O)CC(N)c1cccs1 Amb322801 [0,2,0,0,0,0|2,0,0]=4 2574 B12R1.15 COC(=O)CC(N)c1cccs1 Amb3428080 [0,2,0,0,0,0|2,0,0]=4 2575 B12R1.15 COC(=O)CC(N)c1ccoc1 Amb33308379 [0,2,0,0,0,0|2,0,0]=4 2576 B12R1.15 COC(=O)CC(N)c1ccsc1 Amb34913733 [0,2,0,0,0,0|2,0,0]=4 2577 B12R1.15 COC(=O)CC(N)c1ccsc1 Amb7800543 [0,2,0,0,0,0|2,0,0]=4 2578 B12R1.15 COC(=O)CC(N)c1cncs1 Amb32679581 [0,2,0,0,0,0|1,0,1]=4 2579 B12R1.15 COC(=O)CC(N)c1cscn1 Amb33253893 [0,2,0,0,0,0|1,0,0]=3 2580 B12R1.15 COC(=O)CC(N)c1csnn1 Amb33308224 [0,2,0,0,0,0|2,0,0]=4 2581 B12R1.15 COC(=O)CC(N)c1nccs1 Amb32793579 [0,2,0,0,0,0|2,0,0]=4 2582 B12R1.15 COC(=O)CC(O)c1ccco1 Amb33172320 [0,2,0,0,0,0|2,0,0]=4 2583 B12R1.15 COC(=O)CC(O)c1cccs1 Amb22301486 [0,2,0,0,0,0|2,0,0]=4 2584 B12R1.15 COC(=O)CC(O)c1ccoc1 Amb33448428 [0,2,0,0,0,0|2,0,0]=4 2585 B12R1.15 COC(=O)CC(O)c1ccon1 Amb33197548 [0,2,0,0,0,0|2,0,0]=4 2586 B12R1.15 COC(=O)CC(O)c1ccsc1 Amb22296206 [0,2,0,0,0,0|2,0,0]=4 2587 B12R1.15 COC(=O)CC(O)c1cnco1 Amb33321245 [0,2,0,0,0,0|1,0,1]=4 2588 B12R1.15 COC(=O)CC(O)c1cncs1 Amb33269486 [0,2,0,0,0,0|1,0,1]=4 2589 B12R1.15 COC(=O)CC(O)c1cscn1 Amb33417846 [0,2,0,0,0,0|1,0,0]=3 2590 B12R1.15 COC(=O)CC(O)c1csnn1 Amb33321607 [0,2,0,0,0,0|2,0,0]=4 2591 B12R1.15 COC(=O)CC(O)c1nccs1 Amb33310372 [0,2,0,0,0,0|2,0,0]=4 2592 B12R1.15 COC(=O)C[C@@H](N)c1ccco1 Amb18793277 [0,2,0,0,0,0|2,0,0]=4 2593 B12R1.15 COC(=O)C[C@@H](N)c1cccs1 Amb19057941 [0,2,0,0,0,0|2,0,0]=4 2594 B12R1.15 COC(=O)C[C@@H](N)c1ccoc1 Amb33255577 [0,2,0,0,0,0|2,0,0]=4 2595 B12R1.15 COC(=O)C[C@@H](N)c1ccsc1 Amb19057940 [0,2,0,0,0,0|2,0,0]=4 2596 B12R1.15 COC(=O)C[C@@H](N)c1cncs1 Amb32793645 [0,2,0,0,0,0|1,0,1]=4 2597 B12R1.15 COC(=O)C[C@@H](N)c1cscn1 Amb33254920 [0,2,0,0,0,0|1,0,0]=3 2598 B12R1.15 COC(=O)C[C@@H](N)c1csnn1 Amb33254510 [0,2,0,0,0,0|2,0,0]=4 2599 B12R1.15 COC(=O)C[C@@H](N)c1nccs1 Amb32793641 [0,2,0,0,0,0|2,0,0]=4 2600 B12R1.15 COC(=O)C[C@@H](O)c1ccco1 Amb33358491 [0,2,0,0,0,0|2,0,0]=4 2601 B12R1.15 COC(=O)C[C@@H](O)c1cccs1 Amb33449973 [0,2,0,0,0,0|2,0,0]=4 2602 B12R1.15 COC(=O)C[C@@H](O)c1ccoc1 Amb33079257 [0,2,0,0,0,0|2,0,0]=4 2603 B12R1.15 COC(=O)C[C@@H](O)c1ccon1 Amb33197550 [0,2,0,0,0,0|2,0,0]=4 2604 B12R1.15 COC(=O)C[C@@H](O)c1ccsc1 Amb32953504 [0,2,0,0,0,0|2,0,0]=4 2605 B12R1.15 COC(=O)C[C@@H](O)c1cnco1 Amb33320670 [0,2,0,0,0,0|1,0,1]=4 2606 B12R1.15 COC(=O)C[C@@H](O)c1cncs1 Amb33268787 [0,2,0,0,0,0|1,0,1]=4 2607 B12R1.15 COC(=O)C[C@@H](O)c1cscn1 Amb33417848 [0,2,0,0,0,0|1,0,0]=3 2608 B12R1.15 COC(=O)C[C@@H](O)c1csnn1 Amb33321610 [0,2,0,0,0,0|2,0,0]=4 2609 B12R1.15 COC(=O)C[C@@H](O)c1nccs1 Amb33310373 [0,2,0,0,0,0|2,0,0]=4 2610 B12R1.15 COC(=O)C[C@H](N)c1ccco1 Amb32793679 [0,2,0,0,0,0|2,0,0]=4 2611 B12R1.15 COC(=O)C[C@H](N)c1cccs1 Amb32793677 [0,2,0,0,0,0|2,0,0]=4 2612 B12R1.15 COC(=O)C[C@H](N)c1ccoc1 Amb33308237 [0,2,0,0,0,0|2,0,0]=4 2613 B12R1.15 COC(=O)C[C@H](N)c1ccsc1 Amb32793681 [0,2,0,0,0,0|2,0,0]=4 2614 B12R1.15 COC(=O)C[C@H](N)c1cncs1 Amb32793705 [0,2,0,0,0,0|1,0,1]=4 2615 B12R1.15 COC(=O)C[C@H](N)c1cscn1 Amb33255156 [0,2,0,0,0,0|1,0,0]=3 2616 B12R1.15 COC(=O)C[C@H](N)c1csnn1 Amb33253977 [0,2,0,0,0,0|2,0,0]=4 2617 B12R1.15 COC(=O)C[C@H](N)c1nccs1 Amb32793699 [0,2,0,0,0,0|2,0,0]=4 2618 B12R1.15 COC(=O)C[C@H](O)c1ccco1 Amb33079206 [0,2,0,0,0,0|2,0,0]=4 2619 B12R1.15 COC(=O)C[C@H](O)c1cccs1 Amb32953969 [0,2,0,0,0,0|2,0,0]=4 2620 B12R1.15 COC(=O)C[C@H](O)c1ccoc1 Amb33171735 [0,2,0,0,0,0|2,0,0]=4 2621 B12R1.15 COC(=O)C[C@H](O)c1ccon1 Amb33197549 [0,2,0,0,0,0|2,0,0]=4 2622 B12R1.15 COC(=O)C[C@H](O)c1ccsc1 Amb33080448 [0,2,0,0,0,0|2,0,0]=4 2623 B12R1.15 COC(=O)C[C@H](O)c1cnco1 Amb33226894 [0,2,0,0,0,0|1,0,1]=4 2624 B12R1.15 COC(=O)C[C@H](O)c1cncs1 Amb33268786 [0,2,0,0,0,0|1,0,1]=4 2625 B12R1.15 COC(=O)C[C@H](O)c1cscn1 Amb33417847 [0,2,0,0,0,0|1,0,0]=3 2626 B12R1.15 COC(=O)C[C@H](O)c1csnn1 Amb33321596 [0,2,0,0,0,0|2,0,0]=4 2627 B12R1.15 COC(=O)C[C@H](O)c1nccs1 Amb33310367 [0,2,0,0,0,0|2,0,0]=4 2628 B12R1.15 COC(=O)NC(C)c1cscn1 Amb30036881 [0,2,0,0,0,0|2,0,0]=4 2629 B12R1.26 CCC(=O)CCc1ccn(C)c1 Amb18862635 [0,2,0,0,0,0|2,0,0]=4 2630 B12R1.26 CNC(=O)CCc1csc(N)n1 Amb9175370 [0,2,0,0,0,0|2,0,0]=4 2631 B12R1.26 COC(=O)C#Cc1cn(C)cn1 Amb27805585 [0,2,0,0,0,0|0,0,2]=4 2632 B12R1.26 COC(=O)CCc1cnc(C)s1 Amb23560088 [0,2,0,0,0,0|1,0,1]=4 2633 B12R1.26 COC(=O)CCc1cnc(N)s1 Amb33718524 [0,2,0,0,0,0|1,0,1]=4 2634 B12R1.26 COC(=O)CCc1cnn(C)n1 Amb32662689 [0,2,0,0,0,0|1,0,1]=4 2635 B12R1.26 COC(=O)CCc1csc(Br)n1 Amb17412981 [0,2,0,0,0,0|1,0,0]=3 2636 B12R1.26 COC(=O)CCc1csc(N)n1 Amb1812760 [0,2,0,0,0,0|1,0,0]=3 2637 B12R1.26 COC(=O)CCc1csc(N)n1 Amb22549376 [0,2,0,0,0,0|1,0,0]=3 2638 B12R1.26 COC(=O)CCc1nc(C)cs1 Amb17335761 [0,2,0,0,0,0|2,0,0]=4 2639 B12R1.26 COC(=O)CCc1nc(C)no1 Amb33328705 [0,2,0,0,0,0|1,0,1]=4 2640 B12R1.26 COC(=O)CCn1cc(Br)cn1 Amb16230275 [0,2,0,0,0,0|2,0,0]=4 2641 B12R1.26 COC(=O)CCn1cc(C)cn1 Amb16187003 [0,2,0,0,0,0|2,0,0]=4 2642 B12R1.26 COC(=O)CCn1cc(Cl)cn1 Amb2692750 [0,2,0,0,0,0|2,0,0]=4 2643 B12R1.26 COC(=O)CCn1cc(I)cn1 Amb22261457 [0,2,0,0,0,0|2,0,0]=4 2644 B12R1.26 COC(=O)CCn1cc(N)cn1 Amb32704211 [0,2,0,0,0,0|2,0,0]=4 2645 B12R1.26 COC(=O)CCn1cc(O)cn1 Amb32412751 [0,2,0,0,0,0|2,0,0]=4 2646 B12R1.26 COC(=O)CCn1ccc(Br)n1 Amb24269213 [0,2,0,0,0,0|2,0,0]=4 2647 B12R1.26 COC(=O)CCn1ccc(C)n1 Amb1933687 [0,2,0,0,0,0|2,0,0]=4 2648 B12R1.26 COC(=O)CCn1ccc(I)n1 Amb24269231 [0,2,0,0,0,0|2,0,0]=4 2649 B12R1.26 COC(=O)CCn1ccc(N)n1 Amb32704210 [0,2,0,0,0,0|2,0,0]=4 2650 B12R1.26 COC(=O)CCn1cnc(Br)n1 Amb24269225 [0,2,0,0,0,0|1,0,1]=4 2651 B12R1.26 COC(=O)CCn1cnc(Cl)n1 Amb24269222 [0,2,0,0,0,0|1,0,1]=4 2652 B12R1.26 COC(=O)CCn1cnc(N)n1 Amb32704215 [0,2,0,0,0,0|1,0,1]=4 2653 B12R1.26 COC(=O)NCc1ccn(C)c1 Amb28383751 [0,2,0,0,0,0|2,0,0]=4 2654 B12R1.26 COC(=O)NCc1ncn(C)n1 Amb27635153 [0,2,0,0,0,0|2,0,0]=4 2655 B12R1.26 COC(=O)\C=C\c1cn(C)cn1 Amb28127903 [0,2,0,0,0,0|0,0,2]=4 2656 B12R1.26 Cc1cnn(CCC(=O)NO)c1 Amb27762224 [0,2,0,0,0,0|2,0,0]=4 2657 B12R1.26 Cc1nc(CCC(=O)NO)cs1 Amb28205894 [0,2,0,0,0,0|1,0,0]=3 2658 B12R1.26 Cn1cc(CNC(=O)CO)nn1 Amb28458012 [0,2,0,0,0,0|2,0,0]=4 2659 B12R1.26 O=C(CCc1cc(Br)cs1)NO Amb28381921 [0,2,0,0,0,0|2,0,0]=4 2660 B12R1.26 O=C(CCn1cc(Br)cn1)NO Amb28457989 [0,2,0,0,0,0|2,0,0]=4 2661 B12R1.26 O=C(CCn1cc(Cl)cn1)NO Amb27187783 [0,2,0,0,0,0|2,0,0]=4 2662 B12R1.51 CCOC(=O)CCc1ccco1 Amb6357512 [0,2,0,0,0,0|2,0,0]=4 2663 B12R1.51 CCOC(=O)CCc1ccsc1 Amb22001102 [0,2,0,0,0,0|2,0,0]=4 2664 B12R1.51 CCOC(=O)CCn1cccn1 Amb6890029 [0,2,0,0,0,0|2,0,0]=4 2665 B12R1.51 CONC(=O)NCc1cscn1 Amb28256661 [0,2,0,0,0,0|2,0,0]=4 2666 B12R1.108 COC(=O)C(Br)Cn1cccn1 Amb32455189 [0,2,0,0,0,0|2,0,0]=4 2667 B12R1.108 COC(=O)C(C)Cc1nccs1 Amb17335762 [0,2,0,0,0,0|2,0,0]=4 2668 B12R1.108 COC(=O)C(C)Cn1cccn1 Amb33531783 [0,2,0,0,0,0|2,0,0]=4 2669 B12R1.108 COC(=O)C(C)Cn1cncn1 Amb9400099 [0,2,0,0,0,0|1,0,1]=4 2670 B12R1.108 COC(=O)C(N)Cc1ccco1 Amb33308805 [0,2,0,0,0,0|2,0,0]=4 2671 B12R1.108 COC(=O)C(N)Cc1cccs1 Amb32665943 [0,2,0,0,0,0|2,0,0]=4 2672 B12R1.108 COC(=O)C(N)Cc1cccs1 Amb33330278 [0,2,0,0,0,0|2,0,0]=4 2673 B12R1.108 COC(=O)C(N)Cc1ccoc1 Amb33127528 [0,2,0,0,0,0|2,0,0]=4 2674 B12R1.108 COC(=O)C(N)Cc1ccsc1 Amb33036796 [0,2,0,0,0,0|2,0,0]=4 2675 B12R1.108 COC(=O)C(N)Cc1ccsc1 Amb33607446 [0,2,0,0,0,0|2,0,0]=4 2676 B12R1.108 COC(=O)C(N)Cc1cncs1 Amb32670883 [0,2,0,0,0,0|1,0,1]=4 2677 B12R1.108 COC(=O)C(N)Cc1cnsn1 Amb33066097 [0,2,0,0,0,0|1,0,1]=4 2678 B12R1.108 COC(=O)C(N)Cc1cscn1 Amb33309061 [0,2,0,0,0,0|1,0,0]=3 2679 B12R1.108 COC(=O)C(N)Cc1csnn1 Amb33069955 [0,2,0,0,0,0|2,0,0]=4 2680 B12R1.108 COC(=O)C(N)Cc1nccs1 Amb33042858 [0,2,0,0,0,0|2,0,0]=4 2681 B12R1.108 COC(=O)C(N)Cn1cccn1 Amb18788967 [0,2,0,0,0,0|2,0,0]=4 2682 B12R1.108 COC(=O)C(N)Cn1cccn1 Amb30584858 [0,2,0,0,0,0|2,0,0]=4 2683 B12R1.108 COC(=O)C(N)Cn1cncn1 Amb18789184 [0,2,0,0,0,0|1,0,1]=4 2684 B12R1.108 COC(=O)C(N)Cn1cncn1 Amb30584856 [0,2,0,0,0,0|1,0,1]=4 2685 B12R1.108 COC(=O)C(O)Cc1ccco1 Amb17138659 [0,2,0,0,0,0|2,0,0]=4 2686 B12R1.108 COC(=O)C(O)Cc1cccs1 Amb17139129 [0,2,0,0,0,0|2,0,0]=4 2687 B12R1.108 COC(=O)C(O)Cc1ccoc1 Amb33474605 [0,2,0,0,0,0|2,0,0]=4 2688 B12R1.108 COC(=O)C(O)Cc1ccon1 Amb33197543 [0,2,0,0,0,0|2,0,0]=4 2689 B12R1.108 COC(=O)C(O)Cc1ccsc1 Amb33448426 [0,2,0,0,0,0|2,0,0]=4 2690 B12R1.108 COC(=O)C(O)Cc1cnco1 Amb33319966 [0,2,0,0,0,0|1,0,1]=4 2691 B12R1.108 COC(=O)C(O)Cc1cncs1 Amb32954442 [0,2,0,0,0,0|1,0,1]=4 2692 B12R1.108 COC(=O)C(O)Cc1cscn1 Amb33319263 [0,2,0,0,0,0|1,0,0]=3 2693 B12R1.108 COC(=O)C(O)Cc1csnn1 Amb33359107 [0,2,0,0,0,0|2,0,0]=4 2694 B12R1.108 COC(=O)C([NH3+])CC1=C[NH2+]C=N1 Amb9786726 [0,2,0,0,0,0|0,0,1]=3 2695 B12R1.108 COC(=O)[C@@H](N)Cc1cccs1 Amb19149172 [0,2,0,0,0,0|2,0,0]=4 2696 B12R1.108 COC(=O)[C@H](N)Cc1cscn1 Amb34157789 [0,2,0,0,0,0|1,0,0]=3 2697 B12R1.353 COC(=O)CCc1nccn1C Amb23440781 [0,2,0,0,0,0|2,0,0]=4 2698 B12R1.353 COC(=O)CCc1scnc1C Amb9786731 [0,2,0,0,0,0|1,0,1]=4 2699 B12R1.353 COC(=O)CCn1nccc1N Amb33625158 [0,2,0,0,0,0|2,0,0]=4 2700 B12R1.104 CC(=O)C(C)Cc1ccn(C)c1 Amb18862634 [0,2,0,0,0,0|2,0,0]=4 2701 B12R1.104 CC(=O)C(C)Cc1cn(C)nn1 Amb28291032 [0,2,0,0,0,0|2,0,0]=4 2702 B12R1.104 CC(Cc1cc(Br)co1)C(=O)O Amb33431191 [0,2,0,0,0,0|2,0,0]=4 2703 B12R1.104 CC(Cc1cc(Br)cs1)C(=O)O Amb18981859 [0,2,0,0,0,0|2,0,0]=4 2704 B12R1.104 CC(Cc1cc(Cl)cs1)C(=O)O Amb24569327 [0,2,0,0,0,0|2,0,0]=4 2705 B12R1.104 CC(Cc1ccc(Br)o1)C(=O)O Amb25297998 [0,2,0,0,0,0|2,0,0]=4 2706 B12R1.104 CC(Cc1ccc(Br)s1)C(=O)O Amb18290324 [0,2,0,0,0,0|2,0,0]=4 2707 B12R1.104 CC(Cc1ccc(Cl)o1)C(=O)O Amb28142508 [0,2,0,0,0,0|2,0,0]=4 2708 B12R1.104 CC(Cc1ccc(Cl)s1)C(=O)O Amb18290306 [0,2,0,0,0,0|2,0,0]=4 2709 B12R1.104 CC(Cc1ccn(C)n1)C(=O)O Amb25323721 [0,2,0,0,0,0|2,0,0]=4 2710 B12R1.104 CC(Cc1cn(C)cn1)C(=O)O Amb26051636 [0,2,0,0,0,0|0,0,0]=2 2711 B12R1.104 CC(Cc1cn(C)nn1)C(=O)O Amb25836932 [0,2,0,0,0,0|1,0,0]=3 2712 B12R1.104 CC(Cc1cnc(Cl)s1)C(=O)O Amb26072679 [0,2,0,0,0,0|1,0,1]=4 2713 B12R1.104 CC(Cc1cnn(C)c1)C(=O)O Amb18986552 [0,2,0,0,0,0|2,0,0]=4 2714 B12R1.104 CC(Cc1cnn(C)n1)C(=O)O Amb27645111 [0,2,0,0,0,0|1,0,1]=4 2715 B12R1.104 CC(Cc1csc(Br)c1)C(=O)O Amb27867943 [0,2,0,0,0,0|2,0,0]=4 2716 B12R1.104 CC(Cc1csc(Br)n1)C(=O)O Amb33334938 [0,2,0,0,0,0|1,0,0]=3 2717 B12R1.104 CC(Cc1csc(Cl)c1)C(=O)O Amb25032087 [0,2,0,0,0,0|2,0,0]=4 2718 B12R1.104 CC(Cc1ncc(Br)s1)C(=O)O Amb33434049 [0,2,0,0,0,0|2,0,0]=4 2719 B12R1.104 CC(Cn1cc(Br)cn1)C(=O)O Amb1945857 [0,2,0,0,0,0|2,0,0]=4 2720 B12R1.104 CC(Cn1cc(Cl)cn1)C(=O)O Amb1945810 [0,2,0,0,0,0|2,0,0]=4 2721 B12R1.104 CC(Cn1cc(I)cn1)C(=O)O Amb20619872 [0,2,0,0,0,0|2,0,0]=4 2722 B12R1.104 C\C(=C/c1cn(C)cn1)C(=O)O Amb28367961 [0,2,0,0,0,0|0,0,2]=4 2723 B12R1.104 Cc1cc(CC(C)C(=O)O)no1 Amb33317121 [0,2,0,0,0,0|2,0,0]=4 2724 B12R1.104 Cc1cc(CC(N)C(=O)O)co1 Amb18826155 [0,2,0,0,0,0|2,0,0]=4 2725 B12R1.104 Cc1cc(CC(N)C(=O)O)no1 Amb18825740 [0,2,0,0,0,0|2,0,0]=4 2726 B12R1.104 Cc1cc(CC(O)C(=O)O)cs1 Amb28288979 [0,2,0,0,0,0|2,0,0]=4 2727 B12R1.104 Cc1cc(CC(O)C(=O)O)no1 Amb33317071 [0,2,0,0,0,0|2,0,0]=4 2728 B12R1.104 Cc1cc(CC(S)C(=O)O)cs1 Amb28121769 [0,2,0,0,0,0|2,0,0]=4 2729 B12R1.104 Cc1cc(C[C@@H](N)C(=O)O)cs1 Amb24446585 [0,2,0,0,0,0|2,0,0]=4 2730 B12R1.104 Cc1cc(C[C@H](N)C(=O)O)cs1 Amb25877757 [0,2,0,0,0,0|2,0,0]=4 2731 B12R1.104 Cc1ccc(CC(C)C(=O)O)o1 Amb17605842 [0,2,0,0,0,0|2,0,0]=4 2732 B12R1.104 Cc1ccc(CC(C)C(=O)O)s1 Amb17605840 [0,2,0,0,0,0|2,0,0]=4 2733 B12R1.104 Cc1ccc(CC(F)C(=O)O)s1 Amb27776268 [0,2,0,0,0,0|2,0,0]=4 2734 B12R1.104 Cc1ccc(CC(N)C(=O)O)o1 Amb6267158 [0,2,0,0,0,0|2,0,0]=4 2735 B12R1.104 Cc1ccc(CC(N)C(=O)O)s1 Amb3788396 [0,2,0,0,0,0|2,0,0]=4 2736 B12R1.104 Cc1ccc(CC(O)C(=O)O)o1 Amb32668561 [0,2,0,0,0,0|2,0,0]=4 2737 B12R1.104 Cc1ccc(CC(O)C(=O)O)s1 Amb32668563 [0,2,0,0,0,0|2,0,0]=4 2738 B12R1.104 Cc1ccc(C[C@@H](N)C(=O)O)o1 Amb18801199 [0,2,0,0,0,0|2,0,0]=4 2739 B12R1.104 Cc1ccc(C[C@H](N)C(=O)O)o1 Amb24380249 [0,2,0,0,0,0|2,0,0]=4 2740 B12R1.104 Cc1ccn(CC(C)C(=O)O)n1 Amb639904 [0,2,0,0,0,0|2,0,0]=4 2741 B12R1.104 Cc1ccn(CC(Cl)C(=O)O)n1 Amb28410629 [0,2,0,0,0,0|2,0,0]=4 2742 B12R1.104 Cc1ccn(CC(N)C(=O)O)n1 Amb27964954 [0,2,0,0,0,0|2,0,0]=4 2743 B12R1.104 Cc1ccn(CC(O)C(=O)O)n1 Amb27399072 [0,2,0,0,0,0|2,0,0]=4 2744 B12R1.104 Cc1cnc(CC(N)C(=O)O)s1 Amb27427824 [0,2,0,0,0,0|2,0,0]=4 2745 B12R1.104 Cc1cnc(CC(O)C(=O)O)s1 Amb33353352 [0,2,0,0,0,0|2,0,0]=4 2746 B12R1.104 Cc1cnc(CC(S)C(=O)O)s1 Amb27983892 [0,2,0,0,0,0|2,0,0]=4 2747 B12R1.104 Cc1cnc(C[C@@H](N)C(=O)O)s1 Amb27208416 [0,2,0,0,0,0|2,0,0]=4 2748 B12R1.104 Cc1cnc(C[C@H](N)C(=O)O)s1 Amb27427822 [0,2,0,0,0,0|2,0,0]=4 2749 B12R1.104 Cc1cnn(CC(C)C(=O)O)c1 Amb18969539 [0,2,0,0,0,0|2,0,0]=4 2750 B12R1.104 Cc1cnn(CC(N)C(=O)O)c1 Amb18984357 [0,2,0,0,0,0|2,0,0]=4 2751 B12R1.104 Cc1cnn(CC(N)C(=O)O)c1 Amb33553000 [0,2,0,0,0,0|2,0,0]=4 2752 B12R1.104 Cc1coc(CC(N)C(=O)O)n1 Amb18825741 [0,2,0,0,0,0|2,0,0]=4 2753 B12R1.104 Cc1coc(CC(O)C(=O)O)c1 Amb33353263 [0,2,0,0,0,0|2,0,0]=4 2754 B12R1.104 Cc1csc(CC(C)C(=O)O)c1 Amb18822839 [0,2,0,0,0,0|2,0,0]=4 2755 B12R1.104 Cc1csc(CC(C)C(=O)O)n1 Amb17335759 [0,2,0,0,0,0|2,0,0]=4 2756 B12R1.104 Cc1csc(CC(N)C(=O)O)c1 Amb18822423 [0,2,0,0,0,0|2,0,0]=4 2757 B12R1.104 Cc1csc(CC(O)C(=O)O)c1 Amb33427637 [0,2,0,0,0,0|2,0,0]=4 2758 B12R1.104 Cc1csc(CC(O)C(=O)O)n1 Amb24341633 [0,2,0,0,0,0|2,0,0]=4 2759 B12R1.104 Cc1csc(C[C@@H](N)C(=O)O)n1 Amb24450434 [0,2,0,0,0,0|2,0,0]=4 2760 B12R1.104 Cc1csc(C[C@H](N)C(=O)O)n1 Amb25770644 [0,2,0,0,0,0|2,0,0]=4 2761 B12R1.104 Cc1nc(CC(=O)C(=O)O)cs1 Amb26025903 [0,2,0,0,0,0|1,0,1]=4 2762 B12R1.104 Cc1nc(CC(C)C(=O)O)cs1 Amb26513553 [0,2,0,0,0,0|1,0,0]=3 2763 B12R1.104 Cc1nc(CC(N)C(=O)O)cs1 Amb17065744 [0,2,0,0,0,0|1,0,0]=3 2764 B12R1.104 Cc1nc(CC(N)C(=O)O)no1 Amb18198697 [0,2,0,0,0,0|2,0,0]=4 2765 B12R1.104 Cc1nc(CC(N)C(N)=O)cs1 Amb24434791 [0,2,0,0,0,0|2,0,0]=4 2766 B12R1.104 Cc1nc(CC(O)C(=O)O)cs1 Amb26910902 [0,2,0,0,0,0|1,0,0]=3 2767 B12R1.104 Cc1nc(CC(S)C(=O)O)cs1 Amb27809569 [0,2,0,0,0,0|1,0,0]=3 2768 B12R1.104 Cc1nc(C[C@@H](N)C(=O)O)cs1 Amb25667151 [0,2,0,0,0,0|1,0,0]=3 2769 B12R1.104 Cc1nc(C[C@H](N)C(=O)O)cs1 Amb26024394 [0,2,0,0,0,0|1,0,0]=3 2770 B12R1.104 Cc1ncc(CC(C)C(=O)O)s1 Amb18302886 [0,2,0,0,0,0|1,0,1]=4 2771 B12R1.104 Cc1ncc(CC(N)C(=O)O)s1 Amb18822037 [0,2,0,0,0,0|1,0,1]=4 2772 B12R1.104 Cc1ncc(CC(O)C(=O)O)s1 Amb33353490 [0,2,0,0,0,0|1,0,1]=4 2773 B12R1.104 Cc1ncc(C[C@@H](N)C(=O)O)s1 Amb27146199 [0,2,0,0,0,0|1,0,1]=4 2774 B12R1.104 Cc1ncc(C[C@H](N)C(=O)O)s1 Amb24346493 [0,2,0,0,0,0|1,0,1]=4 2775 B12R1.104 Cc1ncn(CC(Br)C(=O)O)n1 Amb32692991 [0,2,0,0,0,0|1,0,1]=4 2776 B12R1.104 Cn1cc(CC(=O)C(=O)O)nn1 Amb25896974 [0,2,0,0,0,0|1,0,1]=4 2777 B12R1.104 Cn1cc(CC(F)C(=O)O)nn1 Amb27949219 [0,2,0,0,0,0|1,0,0]=3 2778 B12R1.104 Cn1cc(CC(N)C(=O)O)cn1 Amb19429078 [0,2,0,0,0,0|2,0,0]=4 2779 B12R1.104 Cn1cc(CC(N)C(=O)O)cn1 Amb6715945 [0,2,0,0,0,0|2,0,0]=4 2780 B12R1.104 Cn1cc(CC(N)C(=O)O)nn1 Amb19000860 [0,2,0,0,0,0|1,0,0]=3 2781 B12R1.104 Cn1cc(CC(N)C(N)=O)nn1 Amb24561961 [0,2,0,0,0,0|2,0,0]=4 2782 B12R1.104 Cn1cc(CC(O)C(=O)O)cn1 Amb27196865 [0,2,0,0,0,0|2,0,0]=4 2783 B12R1.104 Cn1cc(CC(O)C(=O)O)nn1 Amb28206617 [0,2,0,0,0,0|1,0,0]=3 2784 B12R1.104 Cn1cc(CC(S)C(=O)O)cn1 Amb18968266 [0,2,0,0,0,0|2,0,0]=4 2785 B12R1.104 Cn1cc(CC(S)C(=O)O)nn1 Amb28454581 [0,2,0,0,0,0|1,0,0]=3 2786 B12R1.104 Cn1cc(C[C@@H](N)C(=O)O)cn1 Amb18801206 [0,2,0,0,0,0|2,0,0]=4 2787 B12R1.104 Cn1cc(C[C@@H](N)C(=O)O)nn1 Amb24699416 [0,2,0,0,0,0|1,0,0]=3 2788 B12R1.104 Cn1cc(C[C@H](N)C(=O)O)cn1 Amb25740928 [0,2,0,0,0,0|2,0,0]=4 2789 B12R1.104 Cn1cc(C[C@H](N)C(=O)O)nn1 Amb25737135 [0,2,0,0,0,0|1,0,0]=3 2790 B12R1.104 Cn1ccc(CC(N)C(=O)O)c1 Amb18563843 [0,2,0,0,0,0|1,0,0]=3 2791 B12R1.104 Cn1ccc(CC(N)C(=O)O)n1 Amb30622858 [0,2,0,0,0,0|2,0,0]=4 2792 B12R1.104 Cn1ccc(CC(N)C(=O)O)n1 Amb6890914 [0,2,0,0,0,0|2,0,0]=4 2793 B12R1.104 Cn1ccc(CC(O)C(=O)O)n1 Amb24346569 [0,2,0,0,0,0|2,0,0]=4 2794 B12R1.104 Cn1ccc(CC(S)C(=O)O)n1 Amb27208360 [0,2,0,0,0,0|2,0,0]=4 2795 B12R1.104 Cn1ccc(C[C@@H](N)C(=O)O)n1 Amb28456301 [0,2,0,0,0,0|2,0,0]=4 2796 B12R1.104 Cn1ccc(C[C@H](N)C(=O)O)n1 Amb28244347 [0,2,0,0,0,0|2,0,0]=4 2797 B12R1.104 Cn1cnc(CC(=O)C(=O)O)c1 Amb25345972 [0,2,0,0,0,0|0,0,1]=3 2798 B12R1.104 Cn1cnc(CC(N)C(=O)O)c1 Amb16233066 [0,2,0,0,0,0|0,0,0]=2 2799 B12R1.104 Cn1cnc(CC(N)C(=O)O)c1 Amb32651823 [0,2,0,0,0,0|0,0,0]=2 2800 B12R1.104 Cn1cnc(CC(N)C(=O)O)n1 Amb18825702 [0,2,0,0,0,0|1,0,0]=3 2801 B12R1.104 Cn1cnc(CC(O)C(=O)O)c1 Amb32668566 [0,2,0,0,0,0|0,0,0]=2 2802 B12R1.104 Cn1cnc(CC(O)C(=O)O)c1 Amb33527780 [0,2,0,0,0,0|0,0,0]=2 2803 B12R1.104 Cn1cnc(C[C@@H](N)C(=O)O)c1 Amb22747829 [0,2,0,0,0,0|0,0,0]=2 2804 B12R1.104 Cn1cnc(C[C@@H](N)C(=O)O)c1 Amb22801373 [0,2,0,0,0,0|0,0,0]=2 2805 B12R1.104 Cn1cnc(C[C@H](N)C(=O)O)c1 Amb22349466 [0,2,0,0,0,0|0,0,0]=2 2806 B12R1.104 Cn1cnc(C[C@H](N)C(=O)O)c1 Amb2698980 [0,2,0,0,0,0|0,0,0]=2 2807 B12R1.104 Cn1cnc(C[C@H](N)C(=O)O)c1 Amb8629064 [0,2,0,0,0,0|0,0,0]=2 2808 B12R1.104 Cn1ncc(CC(F)C(=O)O)n1 Amb28317534 [0,2,0,0,0,0|1,0,1]=4 2809 B12R1.104 Cn1ncc(CC(O)C(=O)O)n1 Amb27144353 [0,2,0,0,0,0|1,0,1]=4 2810 B12R1.104 Cn1ncc(C[C@@H](N)C(=O)O)n1 Amb25910534 [0,2,0,0,0,0|1,0,1]=4 2811 B12R1.104 Cn1ncc(C[C@H](N)C(=O)O)n1 Amb24456288 [0,2,0,0,0,0|1,0,1]=4 2812 B12R1.104 Cn1nnc(CC(F)C(=O)O)n1 Amb35589317 [0,2,0,0,0,0|2,0,0]=4 2813 B12R1.104 Cn1nnc(CC(N)C(=O)O)n1 Amb27874216 [0,2,0,0,0,0|2,0,0]=4 2814 B12R1.104 Cn1nnc(CC(O)C(=O)O)n1 Amb26943615 [0,2,0,0,0,0|2,0,0]=4 2815 B12R1.104 Cn1nnc(CC(S)C(=O)O)n1 Amb35670187 [0,2,0,0,0,0|2,0,0]=4 2816 B12R1.104 Cn1nnc(C[C@@H](N)C(=O)O)n1 Amb27391747 [0,2,0,0,0,0|2,0,0]=4 2817 B12R1.104 Cn1nnc(C[C@H](N)C(=O)O)n1 Amb25378201 [0,2,0,0,0,0|2,0,0]=4 2818 B12R1.104 NC(=O)C(N)Cc1csc(Cl)n1 Amb33066256 [0,2,0,0,0,0|2,0,0]=4 2819 B12R1.104 NC(Cc1cc(Br)co1)C(=O)O Amb26915240 [0,2,0,0,0,0|2,0,0]=4 2820 B12R1.104 NC(Cc1cc(Br)cs1)C(=O)O Amb7783541 [0,2,0,0,0,0|2,0,0]=4 2821 B12R1.104 NC(Cc1cc(Cl)cs1)C(=O)O Amb27803431 [0,2,0,0,0,0|2,0,0]=4 2822 B12R1.104 NC(Cc1ccc(Br)o1)C(=O)O Amb6269286 [0,2,0,0,0,0|2,0,0]=4 2823 B12R1.104 NC(Cc1ccc(Br)s1)C(=O)O Amb3791488 [0,2,0,0,0,0|2,0,0]=4 2824 B12R1.104 NC(Cc1ccc(Cl)o1)C(=O)O Amb19000858 [0,2,0,0,0,0|2,0,0]=4 2825 B12R1.104 NC(Cc1ccc(Cl)s1)C(=O)O Amb6267566 [0,2,0,0,0,0|2,0,0]=4 2826 B12R1.104 NC(Cc1cnc(Br)s1)C(=O)O Amb27965453 [0,2,0,0,0,0|1,0,1]=4 2827 B12R1.104 NC(Cc1cnc(Cl)s1)C(=O)O Amb25995163 [0,2,0,0,0,0|1,0,1]=4 2828 B12R1.104 NC(Cc1coc(Br)c1)C(=O)O Amb25807466 [0,2,0,0,0,0|2,0,0]=4 2829 B12R1.104 NC(Cc1csc(Br)c1)C(=O)O Amb26317142 [0,2,0,0,0,0|2,0,0]=4 2830 B12R1.104 NC(Cc1csc(Br)n1)C(=O)O Amb33334914 [0,2,0,0,0,0|1,0,0]=3 2831 B12R1.104 NC(Cc1csc(Cl)c1)C(=O)O Amb28062223 [0,2,0,0,0,0|2,0,0]=4 2832 B12R1.104 NC(Cc1csc(Cl)c1)C(=O)O Amb33743920 [0,2,0,0,0,0|2,0,0]=4 2833 B12R1.104 NC(Cc1csc(Cl)n1)C(=O)O Amb33308855 [0,2,0,0,0,0|1,0,0]=3 2834 B12R1.104 NC(Cc1ncc(Br)s1)C(=O)O Amb33435429 [0,2,0,0,0,0|2,0,0]=4 2835 B12R1.104 NC(Cc1ncc(Cl)s1)C(=O)O Amb27448242 [0,2,0,0,0,0|2,0,0]=4 2836 B12R1.104 NC(Cn1cc(Br)cn1)C(=O)O Amb18984365 [0,2,0,0,0,0|2,0,0]=4 2837 B12R1.104 NC(Cn1cc(Br)cn1)C(=O)O Amb24271207 [0,2,0,0,0,0|2,0,0]=4 2838 B12R1.104 NC(Cn1cc(Cl)cn1)C(=O)O Amb18984361 [0,2,0,0,0,0|2,0,0]=4 2839 B12R1.104 NC(Cn1cc(Cl)cn1)C(=O)O Amb24271206 [0,2,0,0,0,0|2,0,0]=4 2840 B12R1.104 NC(Cn1cc(I)cn1)C(=O)O Amb25151054 [0,2,0,0,0,0|2,0,0]=4 2841 B12R1.104 NC1=NC(CC(N)C(=O)O)CN1 Amb25343273 [0,2,0,0,0,0|0,0,2]=4 2842 B12R1.104 N[C@@H](CC1=CNC(=S)N1)C(=O)O Amb19133014 [0,2,0,0,0,0|0,0,1]=3 2843 B12R1.104 N[C@@H](CC1=NC(=S)N=C1)C(=O)O Amb24401476 [0,2,0,0,0,0|0,0,1]=3 2844 B12R1.104 N[C@@H](Cc1cc(Br)co1)C(=O)O Amb27778491 [0,2,0,0,0,0|2,0,0]=4 2845 B12R1.104 N[C@@H](Cc1cc(Br)cs1)C(=O)O Amb27175091 [0,2,0,0,0,0|2,0,0]=4 2846 B12R1.104 N[C@@H](Cc1ccc(Br)o1)C(=O)O Amb24488678 [0,2,0,0,0,0|2,0,0]=4 2847 B12R1.104 N[C@@H](Cc1ccc(Br)s1)C(=O)O Amb22746252 [0,2,0,0,0,0|2,0,0]=4 2848 B12R1.104 N[C@@H](Cc1ccc(Cl)o1)C(=O)O Amb27596523 [0,2,0,0,0,0|2,0,0]=4 2849 B12R1.104 N[C@@H](Cc1ccc(Cl)s1)C(=O)O Amb25885904 [0,2,0,0,0,0|2,0,0]=4 2850 B12R1.104 N[C@@H](Cc1coc(Br)c1)C(=O)O Amb24690262 [0,2,0,0,0,0|2,0,0]=4 2851 B12R1.104 N[C@@H](Cc1csc(Cl)c1)C(=O)O Amb25138005 [0,2,0,0,0,0|2,0,0]=4 2852 B12R1.104 N[C@@H](Cc1csc(Cl)n1)C(=O)O Amb33308794 [0,2,0,0,0,0|1,0,0]=3 2853 B12R1.104 N[C@@H](Cc1ncc(Br)s1)C(=O)O Amb33065987 [0,2,0,0,0,0|2,0,0]=4 2854 B12R1.104 N[C@@H](Cc1ncc(Cl)s1)C(=O)O Amb28206528 [0,2,0,0,0,0|2,0,0]=4 2855 B12R1.104 N[C@H](CC1=CNC(=S)N1)C(=O)O Amb25827584 [0,2,0,0,0,0|0,0,1]=3 2856 B12R1.104 N[C@H](Cc1cc(Br)cs1)C(=O)O Amb24431257 [0,2,0,0,0,0|2,0,0]=4 2857 B12R1.104 N[C@H](Cc1ccc(Br)o1)C(=O)O Amb25791878 [0,2,0,0,0,0|2,0,0]=4 2858 B12R1.104 N[C@H](Cc1ccc(Br)s1)C(=O)O Amb27425316 [0,2,0,0,0,0|2,0,0]=4 2859 B12R1.104 N[C@H](Cc1ccc(Cl)s1)C(=O)O Amb24462225 [0,2,0,0,0,0|2,0,0]=4 2860 B12R1.104 N[C@H](Cc1coc(Br)c1)C(=O)O Amb25986220 [0,2,0,0,0,0|2,0,0]=4 2861 B12R1.104 N[C@H](Cc1csc(Cl)c1)C(=O)O Amb24735847 [0,2,0,0,0,0|2,0,0]=4 2862 B12R1.104 N[C@H](Cc1csc(Cl)n1)C(=O)O Amb33308525 [0,2,0,0,0,0|1,0,0]=3 2863 B12R1.104 N[C@H](Cc1ncc(Br)s1)C(=O)O Amb33065417 [0,2,0,0,0,0|2,0,0]=4 2864 B12R1.104 N[C@H](Cc1ncc(Cl)s1)C(=O)O Amb28127148 [0,2,0,0,0,0|2,0,0]=4 2865 B12R1.104 Nc1nc(CC(N)C(=O)O)cs1 Amb25109207 [0,2,0,0,0,0|1,0,0]=3 2866 B12R1.104 Nc1nc(CC(N)C(=O)O)cs1 Amb33803281 [0,2,0,0,0,0|1,0,0]=3 2867 B12R1.104 O=C(O)C(=O)Cc1csc(Br)n1 Amb33336576 [0,2,0,0,0,0|1,0,1]=4 2868 B12R1.104 O=C(O)C(Cl)Cn1cc(Cl)cn1 Amb28349139 [0,2,0,0,0,0|2,0,0]=4 2869 B12R1.104 O=C(O)C(Cl)Cn1cc(I)cn1 Amb27242965 [0,2,0,0,0,0|2,0,0]=4 2870 B12R1.104 O=C(O)C(F)Cc1cc(Br)cs1 Amb27653807 [0,2,0,0,0,0|2,0,0]=4 2871 B12R1.104 O=C(O)C(F)Cc1csc(Br)c1 Amb28197357 [0,2,0,0,0,0|2,0,0]=4 2872 B12R1.104 O=C(O)C(O)Cc1cc(Br)co1 Amb33431513 [0,2,0,0,0,0|2,0,0]=4 2873 B12R1.104 O=C(O)C(O)Cc1cc(Br)cs1 Amb26022797 [0,2,0,0,0,0|2,0,0]=4 2874 B12R1.104 O=C(O)C(O)Cc1cc(Cl)cs1 Amb33353486 [0,2,0,0,0,0|2,0,0]=4 2875 B12R1.104 O=C(O)C(O)Cc1ccc(Br)o1 Amb27768369 [0,2,0,0,0,0|2,0,0]=4 2876 B12R1.104 O=C(O)C(O)Cc1ccc(Br)s1 Amb24376472 [0,2,0,0,0,0|2,0,0]=4 2877 B12R1.104 O=C(O)C(O)Cc1ccc(Cl)o1 Amb33258328 [0,2,0,0,0,0|2,0,0]=4 2878 B12R1.104 O=C(O)C(O)Cc1ccc(Cl)s1 Amb24483662 [0,2,0,0,0,0|2,0,0]=4 2879 B12R1.104 O=C(O)C(O)Cc1cnc(Cl)s1 Amb33220953 [0,2,0,0,0,0|1,0,1]=4 2880 B12R1.104 O=C(O)C(O)Cc1coc(Br)c1 Amb27226516 [0,2,0,0,0,0|2,0,0]=4 2881 B12R1.104 O=C(O)C(O)Cc1csc(Br)c1 Amb33353269 [0,2,0,0,0,0|2,0,0]=4 2882 B12R1.104 O=C(O)C(O)Cc1csc(Br)n1 Amb33334947 [0,2,0,0,0,0|1,0,0]=3 2883 B12R1.104 O=C(O)C(O)Cc1ncc(Br)s1 Amb33353349 [0,2,0,0,0,0|2,0,0]=4 2884 B12R1.104 O=C(O)C(O)Cc1ncc(Cl)s1 Amb33353287 [0,2,0,0,0,0|2,0,0]=4 2885 B12R1.104 O=C(O)C(O)Cc1ncc(I)s1 Amb33353414 [0,2,0,0,0,0|2,0,0]=4 2886 B12R1.104 O=C(O)C(S)Cc1ncc(I)s1 Amb27417160 [0,2,0,0,0,0|2,0,0]=4 2887 B12R1.120 CC(C(=O)O)C(C)c1ccco1 Amb18199302 [0,2,0,0,0,0|2,0,0]=4 2888 B12R1.120 CC(C(=O)O)C(C)c1cccs1 Amb18822834 [0,2,0,0,0,0|2,0,0]=4 2889 B12R1.120 CC(C(=O)O)C(C)c1ccsc1 Amb27615249 [0,2,0,0,0,0|2,0,0]=4 2890 B12R1.120 CC(C(=O)O)C(C)c1cncs1 Amb18822430 [0,2,0,0,0,0|1,0,1]=4 2891 B12R1.120 CC(C(=O)O)C(C)n1cccn1 Amb26356928 [0,2,0,0,0,0|2,0,0]=4 2892 B12R1.120 CC(C(=O)O)C(N)c1ccsc1 Amb28324127 [0,2,0,0,0,0|2,0,0]=4 2893 B12R1.120 CC(C(=O)O)C(O)c1ccco1 Amb27667048 [0,2,0,0,0,0|2,0,0]=4 2894 B12R1.120 CC(C(=O)O)C(O)c1cccs1 Amb18990634 [0,2,0,0,0,0|2,0,0]=4 2895 B12R1.120 CC(C(N)C(=O)O)n1cccn1 Amb33129054 [0,2,0,0,0,0|2,0,0]=4 2896 B12R1.120 CC(C(N)C(=O)O)n1cncn1 Amb33129055 [0,2,0,0,0,0|1,0,1]=4 2897 B12R1.120 CC(c1ccco1)C(N)C(=O)O Amb35663086 [0,2,0,0,0,0|2,0,0]=4 2898 B12R1.120 CC(c1cccs1)C(N)C(=O)O Amb35660777 [0,2,0,0,0,0|2,0,0]=4 2899 B12R1.120 CC(c1ccoc1)C(N)C(=O)O Amb35663085 [0,2,0,0,0,0|2,0,0]=4 2900 B12R1.120 CC(c1ccsc1)C(F)C(=O)O Amb27969593 [0,2,0,0,0,0|2,0,0]=4 2901 B12R1.120 CC(c1ccsc1)C(N)C(=O)O Amb30040033 [0,2,0,0,0,0|2,0,0]=4 2902 B12R1.120 CC(c1nccs1)C(N)C(=O)O Amb29892394 [0,2,0,0,0,0|2,0,0]=4 2903 B12R1.120 C[C@@H](C(=O)O)[C@@H](O)c1cccs1 Amb28124104 [0,2,0,0,0,0|2,0,0]=4 2904 B12R1.120 NC(C(=O)O)C(O)c1ccco1 Amb2699161 [0,2,0,0,0,0|2,0,0]=4 2905 B12R1.120 NC(C(=O)O)C(O)c1cccs1 Amb18649596 [0,2,0,0,0,0|2,0,0]=4 2906 B12R1.120 NC(C(=O)O)C(O)c1ccoc1 Amb24411867 [0,2,0,0,0,0|2,0,0]=4 2907 B12R1.120 NC(C(=O)O)C(O)c1ccon1 Amb33198342 [0,2,0,0,0,0|2,0,0]=4 2908 B12R1.120 NC(C(=O)O)C(O)c1ccsc1 Amb25273231 [0,2,0,0,0,0|2,0,0]=4 2909 B12R1.120 NC(C(=O)O)C(O)c1cnco1 Amb33414853 [0,2,0,0,0,0|1,0,1]=4 2910 B12R1.120 NC(C(=O)O)C(O)c1cncs1 Amb18821128 [0,2,0,0,0,0|1,0,1]=4 2911 B12R1.120 NC(C(=O)O)C(O)c1cscn1 Amb26943513 [0,2,0,0,0,0|1,0,0]=3 2912 B12R1.120 NC(C(=O)O)C(O)c1csnn1 Amb28120470 [0,2,0,0,0,0|2,0,0]=4 2913 B12R1.120 NC(C(=O)O)C(O)c1nccs1 Amb26562085 [0,2,0,0,0,0|2,0,0]=4 2914 B12R1.120 N[C@@H](C(=O)O)[C@@H](O)c1cccs1 Amb27863494 [0,2,0,0,0,0|2,0,0]=4 2915 B12R1.120 N[C@@H](c1ccco1)[C@@H](O)C(=O)O Amb27209254 [0,2,0,0,0,0|2,0,0]=4 2916 B12R1.120 N[C@H](C(=O)O)[C@@H](O)c1ccco1 Amb27862565 [0,2,0,0,0,0|2,0,0]=4 2917 B12R1.120 N[C@H](C(=O)O)[C@@H](O)c1cccs1 Amb27444659 [0,2,0,0,0,0|2,0,0]=4 2918 B12R1.120 N[C@H](C(=O)O)[C@H](O)c1cccs1 Amb27491025 [0,2,0,0,0,0|2,0,0]=4 2919 B12R1.120 N[C@H](c1ccco1)[C@H](O)C(=O)O Amb27462481 [0,2,0,0,0,0|2,0,0]=4 2920 B12R1.120 N[C@H](c1cccs1)[C@H](O)C(=O)O Amb27631516 [0,2,0,0,0,0|2,0,0]=4 2921 B12R1.145 CC(CN1C=CNC1=O)C(=O)O Amb27832810 [0,2,0,0,0,0|2,0,0]=4 2922 B12R1.145 CC(Cc1cccn1C)C(=O)O Amb27626329 [0,2,0,0,0,0|1,0,1]=4 2923 B12R1.145 CC(Cc1cncn1C)C(=O)O Amb26562895 [0,2,0,0,0,0|0,0,2]=4 2924 B12R1.145 CC(Cc1cscc1Br)C(=O)O Amb28143561 [0,2,0,0,0,0|2,0,0]=4 2925 B12R1.145 CC(Cc1nccn1C)C(=O)O Amb18826685 [0,2,0,0,0,0|2,0,0]=4 2926 B12R1.145 CC(Cc1ncnn1C)C(=O)O Amb27806775 [0,2,0,0,0,0|1,0,1]=4 2927 B12R1.145 CC(Cc1sccc1Br)C(=O)O Amb18981853 [0,2,0,0,0,0|2,0,0]=4 2928 B12R1.145 CC(Cc1sccc1Cl)C(=O)O Amb25303584 [0,2,0,0,0,0|2,0,0]=4 2929 B12R1.145 Cc1ccnn1CC(C)C(=O)O Amb7089059 [0,2,0,0,0,0|2,0,0]=4 2930 B12R1.145 Cc1ccnn1CC(Cl)C(=O)O Amb27953430 [0,2,0,0,0,0|2,0,0]=4 2931 B12R1.145 Cc1ccnn1CC(N)C(=O)O Amb25724699 [0,2,0,0,0,0|2,0,0]=4 2932 B12R1.145 Cc1ccoc1CC(C)C(=O)O Amb25304965 [0,2,0,0,0,0|2,0,0]=4 2933 B12R1.145 Cc1ccoc1CC(N)C(=O)O Amb18826171 [0,2,0,0,0,0|2,0,0]=4 2934 B12R1.145 Cc1ccoc1CC(O)C(=O)O Amb33353274 [0,2,0,0,0,0|2,0,0]=4 2935 B12R1.145 Cc1ccsc1CC(C)C(=O)O Amb27159627 [0,2,0,0,0,0|2,0,0]=4 2936 B12R1.145 Cc1ccsc1CC(F)C(=O)O Amb28430315 [0,2,0,0,0,0|2,0,0]=4 2937 B12R1.145 Cc1ccsc1CC(N)C(=O)O Amb3788399 [0,2,0,0,0,0|2,0,0]=4 2938 B12R1.145 Cc1ccsc1CC(O)C(=O)O Amb32668562 [0,2,0,0,0,0|2,0,0]=4 2939 B12R1.145 Cc1ccsc1C[C@@H](N)C(=O)O Amb19069332 [0,2,0,0,0,0|2,0,0]=4 2940 B12R1.145 Cc1ccsc1C[C@H](N)C(=O)O Amb26450865 [0,2,0,0,0,0|2,0,0]=4 2941 B12R1.145 Cc1cocc1CC(N)C(=O)O Amb18826156 [0,2,0,0,0,0|2,0,0]=4 2942 B12R1.145 Cc1cscc1CC(C)C(=O)O Amb33147698 [0,2,0,0,0,0|2,0,0]=4 2943 B12R1.145 Cc1cscc1CC(N)C(=O)O Amb33065909 [0,2,0,0,0,0|2,0,0]=4 2944 B12R1.145 Cc1cscc1CC(O)C(=O)O Amb33146697 [0,2,0,0,0,0|2,0,0]=4 2945 B12R1.145 Cc1cscc1C[C@@H](N)C(=O)O Amb33036557 [0,2,0,0,0,0|2,0,0]=4 2946 B12R1.145 Cc1cscc1C[C@H](N)C(=O)O Amb33065918 [0,2,0,0,0,0|2,0,0]=4 2947 B12R1.145 Cc1ncsc1CC(C)C(=O)O Amb25213367 [0,2,0,0,0,0|1,0,1]=4 2948 B12R1.145 Cc1ncsc1CC(F)C(=O)O Amb27206734 [0,2,0,0,0,0|1,0,1]=4 2949 B12R1.145 Cc1ncsc1CC(N)C(=O)O Amb18822033 [0,2,0,0,0,0|1,0,1]=4 2950 B12R1.145 Cc1ncsc1CC(O)C(=O)O Amb33353370 [0,2,0,0,0,0|1,0,1]=4 2951 B12R1.145 Cc1ncsc1C[C@@H](N)C(=O)O Amb28396540 [0,2,0,0,0,0|1,0,1]=4 2952 B12R1.145 Cc1nonc1CC(N)C(=O)O Amb10610297 [0,2,0,0,0,0|1,0,1]=4 2953 B12R1.145 Cc1nonc1CC(N)C(=O)O Amb5722544 [0,2,0,0,0,0|1,0,1]=4 2954 B12R1.145 Cc1occc1CC(C)C(=O)O Amb27233805 [0,2,0,0,0,0|2,0,0]=4 2955 B12R1.145 Cc1occc1CC(N)C(=O)O Amb26526981 [0,2,0,0,0,0|2,0,0]=4 2956 B12R1.145 Cc1occc1CC(O)C(=O)O Amb32668569 [0,2,0,0,0,0|2,0,0]=4 2957 B12R1.145 Cc1sccc1CC(O)C(=O)O Amb33353289 [0,2,0,0,0,0|2,0,0]=4 2958 B12R1.145 Cc1sccc1C[C@@H](N)C(=O)O Amb27482297 [0,2,0,0,0,0|2,0,0]=4 2959 B12R1.145 Cn1cccc1CC(F)C(=O)O Amb28142519 [0,2,0,0,0,0|1,0,1]=4 2960 B12R1.145 Cn1cccc1CC(N)C(=O)O Amb7796010 [0,2,0,0,0,0|1,0,1]=4 2961 B12R1.145 Cn1cccc1CC(O)C(=O)O Amb33315155 [0,2,0,0,0,0|1,0,1]=4 2962 B12R1.145 Cn1cccc1C[C@H](N)C(=O)O Amb28248841 [0,2,0,0,0,0|1,0,1]=4 2963 B12R1.145 Cn1ccnc1CC(N)C(=O)O Amb18302430 [0,2,0,0,0,0|2,0,0]=4 2964 B12R1.145 Cn1ccnc1CC(O)C(=O)O Amb26372150 [0,2,0,0,0,0|2,0,0]=4 2965 B12R1.145 Cn1ccnc1CC(S)C(=O)O Amb27184841 [0,2,0,0,0,0|2,0,0]=4 2966 B12R1.145 Cn1ccnc1C[C@@H](N)C(=O)O Amb32788599 [0,2,0,0,0,0|2,0,0]=4 2967 B12R1.145 Cn1ccnc1C[C@H](N)C(=O)O Amb33037063 [0,2,0,0,0,0|2,0,0]=4 2968 B12R1.145 Cn1cncc1CC(N)C(=O)O Amb18647156 [0,2,0,0,0,0|0,0,2]=4 2969 B12R1.145 Cn1cncc1CC(N)C(=O)O Amb31291637 [0,2,0,0,0,0|0,0,2]=4 2970 B12R1.145 Cn1cncc1CC(O)C(=O)O Amb33353390 [0,2,0,0,0,0|0,0,2]=4 2971 B12R1.145 Cn1cncc1C[C@@H](N)C(=O)O Amb2699163 [0,2,0,0,0,0|0,0,2]=4 2972 B12R1.145 Cn1cncc1C[C@H](N)C(=O)O Amb6600147 [0,2,0,0,0,0|0,0,2]=4 2973 B12R1.145 Cn1ncnc1CC(N)C(=O)O Amb18825704 [0,2,0,0,0,0|1,0,1]=4 2974 B12R1.145 Cn1ncnc1C[C@@H](N)C(=O)O Amb25366880 [0,2,0,0,0,0|1,0,1]=4 2975 B12R1.145 Cn1ncnc1C[C@H](N)C(=O)O Amb27391256 [0,2,0,0,0,0|1,0,1]=4 2976 B12R1.145 NC(=O)C(N)Cc1ncsc1Cl Amb33309131 [0,2,0,0,0,0|2,0,0]=4 2977 B12R1.145 NC(CC1=NSNC1=O)C(=O)O Amb24365948 [0,2,0,0,0,0|1,0,0]=3 2978 B12R1.145 NC(Cc1ccsc1Br)C(=O)O Amb25795560 [0,2,0,0,0,0|2,0,0]=4 2979 B12R1.145 NC(Cc1ccsc1Br)C(=O)O Amb33743565 [0,2,0,0,0,0|2,0,0]=4 2980 B12R1.145 NC(Cc1ccsc1Cl)C(=O)O Amb24399335 [0,2,0,0,0,0|2,0,0]=4 2981 B12R1.145 NC(Cc1ccsc1Cl)C(=O)O Amb33299257 [0,2,0,0,0,0|2,0,0]=4 2982 B12R1.145 NC(Cc1cncn1O)C(=O)O Amb27214198 [0,2,0,0,0,0|0,0,2]=4 2983 B12R1.145 NC(Cc1cscc1Br)C(=O)O Amb27642505 [0,2,0,0,0,0|2,0,0]=4 2984 B12R1.145 NC(Cc1ncsc1Cl)C(=O)O Amb33036885 [0,2,0,0,0,0|1,0,0]=3 2985 B12R1.145 NC(Cc1ncsc1Cl)C(=O)O Amb33803973 [0,2,0,0,0,0|1,0,0]=3 2986 B12R1.145 NC(Cc1nonc1O)C(=O)O Amb28342262 [0,2,0,0,0,0|1,0,1]=4 2987 B12R1.145 NC(Cc1occc1Br)C(=O)O Amb28456942 [0,2,0,0,0,0|2,0,0]=4 2988 B12R1.145 NC(Cc1sccc1Br)C(=O)O Amb27410749 [0,2,0,0,0,0|2,0,0]=4 2989 B12R1.145 NC(Cc1sccc1Cl)C(=O)O Amb28132824 [0,2,0,0,0,0|2,0,0]=4 2990 B12R1.145 N[C@@H](CC1=NSNC1=O)C(=O)O Amb27409051 [0,2,0,0,0,0|1,0,0]=3 2991 B12R1.145 N[C@@H](Cc1ccsc1Br)C(=O)O Amb25335861 [0,2,0,0,0,0|2,0,0]=4 2992 B12R1.145 N[C@@H](Cc1ccsc1Cl)C(=O)O Amb24350624 [0,2,0,0,0,0|2,0,0]=4 2993 B12R1.145 N[C@@H](Cc1ncsc1Cl)C(=O)O Amb33065882 [0,2,0,0,0,0|1,0,0]=3 2994 B12R1.145 N[C@@H](Cc1nonc1O)C(=O)O Amb27666914 [0,2,0,0,0,0|1,0,1]=4 2995 B12R1.145 N[C@@H](Cc1sccc1Br)C(=O)O Amb24615699 [0,2,0,0,0,0|2,0,0]=4 2996 B12R1.145 N[C@@H](Cc1sccc1Cl)C(=O)O Amb25267667 [0,2,0,0,0,0|2,0,0]=4 2997 B12R1.145 N[C@@H](Cc1scnc1Cl)C(=O)O Amb33036143 [0,2,0,0,0,0|1,0,1]=4 2998 B12R1.145 N[C@H](Cc1ccsc1Br)C(=O)O Amb24600296 [0,2,0,0,0,0|2,0,0]=4 2999 B12R1.145 N[C@H](Cc1ccsc1Cl)C(=O)O Amb28186495 [0,2,0,0,0,0|2,0,0]=4 3000 B12R1.145 N[C@H](Cc1ncsc1Cl)C(=O)O Amb33308574 [0,2,0,0,0,0|1,0,0]=3 3001 B12R1.145 N[C@H](Cc1sccc1Br)C(=O)O Amb26976119 [0,2,0,0,0,0|2,0,0]=4 3002 B12R1.145 N[C@H](Cc1sccc1Cl)C(=O)O Amb28123220 [0,2,0,0,0,0|2,0,0]=4 3003 B12R1.145 N[C@H](Cc1scnc1Cl)C(=O)O Amb33065656 [0,2,0,0,0,0|1,0,1]=4 3004 B12R1.145 O=C(O)C(F)Cc1ccsc1Cl Amb27845252 [0,2,0,0,0,0|2,0,0]=4 3005 B12R1.145 O=C(O)C(F)Cc1cscc1Br Amb27867945 [0,2,0,0,0,0|2,0,0]=4 3006 B12R1.145 O=C(O)C(F)Cc1occc1Br Amb27780216 [0,2,0,0,0,0|2,0,0]=4 3007 B12R1.145 O=C(O)C(O)Cc1ccsc1Br Amb27657975 [0,2,0,0,0,0|2,0,0]=4 3008 B12R1.145 O=C(O)C(O)Cc1ccsc1Cl Amb33353362 [0,2,0,0,0,0|2,0,0]=4 3009 B12R1.145 O=C(O)C(O)Cc1cscc1Br Amb33353261 [0,2,0,0,0,0|2,0,0]=4 3010 B12R1.145 O=C(O)C(O)Cc1cscc1Cl Amb33353478 [0,2,0,0,0,0|2,0,0]=4 3011 B12R1.145 O=C(O)C(O)Cc1occc1Br Amb33353341 [0,2,0,0,0,0|2,0,0]=4 3012 B12R1.145 O=C(O)C(O)Cc1sccc1Br Amb25071900 [0,2,0,0,0,0|2,0,0]=4 3013 B12R1.145 O=C(O)C(O)Cc1sccc1Cl Amb26923733 [0,2,0,0,0,0|2,0,0]=4 3014 B12R1.145 O=C(O)C(O)Cc1scnc1Cl Amb33353330 [0,2,0,0,0,0|1,0,1]=4 3015 B12R1.298 CCC(Cc1ccco1)C(=O)O Amb5744031 [0,2,0,0,0,0|2,0,0]=4 3016 B12R1.298 CCC(Cc1cccs1)C(=O)O Amb5744032 [0,2,0,0,0,0|2,0,0]=4 3017 B12R1.298 CCC(Cc1ccsc1)C(=O)O Amb17605845 [0,2,0,0,0,0|2,0,0]=4 3018 B12R1.298 CNC(Cn1cccn1)C(=O)O Amb18788966 [0,2,0,0,0,0|2,0,0]=4 3019 B12R1.298 CNC(Cn1cncn1)C(=O)O Amb18789183 [0,2,0,0,0,0|1,0,1]=4 3020 B12R1.298 COC(Cc1ccco1)C(=O)O Amb33360945 [0,2,0,0,0,0|2,0,0]=4 3021 B12R1.298 COC(Cc1cccs1)C(=O)O Amb33361315 [0,2,0,0,0,0|2,0,0]=4 3022 B12R1.298 COC(Cc1ccoc1)C(=O)O Amb33360377 [0,2,0,0,0,0|2,0,0]=4 3023 B12R1.298 COC(Cc1ccon1)C(=O)O Amb33203399 [0,2,0,0,0,0|2,0,0]=4 3024 B12R1.298 COC(Cc1ccsc1)C(=O)O Amb33428907 [0,2,0,0,0,0|2,0,0]=4 3025 B12R1.298 COC(Cc1cnco1)C(=O)O Amb33319959 [0,2,0,0,0,0|1,0,1]=4 3026 B12R1.298 COC(Cc1cncs1)C(=O)O Amb33268778 [0,2,0,0,0,0|1,0,1]=4 3027 B12R1.298 COC(Cc1cscn1)C(=O)O Amb33417835 [0,2,0,0,0,0|1,0,0]=3 3028 B12R1.298 COC(Cc1csnn1)C(=O)O Amb33321599 [0,2,0,0,0,0|2,0,0]=4 3029 B12R1.298 COC(Cc1nccs1)C(=O)O Amb33310359 [0,2,0,0,0,0|2,0,0]=4 3030 B12R1.298 COC(Cn1cccn1)C(=O)O Amb32429470 [0,2,0,0,0,0|2,0,0]=4 3031 B12R1.298 N#CC(Cc1ccco1)C(=O)O Amb17090105 [0,2,0,0,0,0|2,0,0]=4 3032 B12R1.298 N#CC(Cc1cccs1)C(=O)O Amb17090106 [0,2,0,0,0,0|2,0,0]=4 3033 B12R1.298 N#CC(Cc1ccoc1)C(=O)O Amb35584079 [0,2,0,0,0,0|2,0,0]=4 3034 B12R1.298 N#CC(Cc1ccsc1)C(=O)O Amb35584086 [0,2,0,0,0,0|2,0,0]=4 3035 B12R1.298 N#CC(Cc1cncs1)C(=O)O Amb35584087 [0,2,0,0,0,0|1,0,1]=4 3036 B12R1.298 N#CC(Cc1cnsn1)C(=O)O Amb29875747 [0,2,0,0,0,0|1,0,1]=4 3037 B12R1.298 N#CC(Cc1cscn1)C(=O)O Amb35584088 [0,2,0,0,0,0|1,0,0]=3 3038 B12R1.298 N#CC(Cc1csnn1)C(=O)O Amb35584091 [0,2,0,0,0,0|2,0,0]=4 3039 B12R1.298 N#CC(Cc1nccs1)C(=O)O Amb35584089 [0,2,0,0,0,0|2,0,0]=4 3040 B12R1.298 NCC(Cc1ccco1)C(=O)O Amb5744246 [0,2,0,0,0,0|2,0,0]=4 3041 B12R1.298 NCC(Cc1cccs1)C(=O)O Amb28555777 [0,2,0,0,0,0|2,0,0]=4 3042 B12R1.298 NCC(Cc1cccs1)C(=O)O Amb5744247 [0,2,0,0,0,0|2,0,0]=4 3043 B12R1.1373 CC(C)(Cc1ccco1)C(=O)O Amb18303224 [0,2,0,0,0,0|2,0,0]=4 3044 B12R1.1373 CC(C)(Cc1cccs1)C(=O)O Amb18999501 [0,2,0,0,0,0|2,0,0]=4 3045 B12R1.1373 CC(C)(Cc1ccoc1)C(=O)O Amb25336532 [0,2,0,0,0,0|2,0,0]=4 3046 B12R1.1373 CC(C)(Cc1ccon1)C(=O)O Amb33200204 [0,2,0,0,0,0|2,0,0]=4 3047 B12R1.1373 CC(C)(Cc1ccsc1)C(=O)O Amb18302688 [0,2,0,0,0,0|2,0,0]=4 3048 B12R1.1373 CC(C)(Cc1cnco1)C(=O)O Amb33414833 [0,2,0,0,0,0|1,0,1]=4 3049 B12R1.1373 CC(C)(Cc1cncs1)C(=O)O Amb25751685 [0,2,0,0,0,0|1,0,1]=4 3050 B12R1.1373 CC(C)(Cc1cnsn1)C(=O)O Amb28346141 [0,2,0,0,0,0|1,0,1]=4 3051 B12R1.1373 CC(C)(Cc1cscn1)C(=O)O Amb18300537 [0,2,0,0,0,0|1,0,0]=3 3052 B12R1.1373 CC(C)(Cc1csnn1)C(=O)O Amb25787515 [0,2,0,0,0,0|2,0,0]=4 3053 B12R1.1373 CC(C)(Cc1nccs1)C(=O)O Amb25256843 [0,2,0,0,0,0|2,0,0]=4 3054 B12R1.1373 CC(C)(Cn1cncn1)C(=O)O Amb27401238 [0,2,0,0,0,0|1,0,1]=4 3055 B12R1.1373 CC(N)(Cc1ccco1)C(=O)O Amb17232695 [0,2,0,0,0,0|2,0,0]=4 3056 B12R1.1373 CC(N)(Cc1cccs1)C(=O)O Amb17234195 [0,2,0,0,0,0|2,0,0]=4 3057 B12R1.1373 CC(N)(Cn1cccn1)C(=O)O Amb18984348 [0,2,0,0,0,0|2,0,0]=4 3058 B12R1.1373 CC(N)(Cn1cccn1)C(=O)O Amb30584857 [0,2,0,0,0,0|2,0,0]=4 3059 B12R1.1373 CC(N)(Cn1cncn1)C(=O)O Amb18984352 [0,2,0,0,0,0|1,0,1]=4 3060 B12R1.1373 CC(N)(Cn1cncn1)C(=O)O Amb24271208 [0,2,0,0,0,0|1,0,1]=4 3061 B12R1.1373 CC(O)(Cc1ccco1)C(=O)O Amb33360942 [0,2,0,0,0,0|2,0,0]=4 3062 B12R1.1373 CC(O)(Cc1cccs1)C(=O)O Amb33361314 [0,2,0,0,0,0|2,0,0]=4 3063 B12R1.1373 CC(O)(Cc1ccoc1)C(=O)O Amb33360373 [0,2,0,0,0,0|2,0,0]=4 3064 B12R1.1373 CC(O)(Cc1ccon1)C(=O)O Amb33203393 [0,2,0,0,0,0|2,0,0]=4 3065 B12R1.1373 CC(O)(Cc1ccsc1)C(=O)O Amb33428904 [0,2,0,0,0,0|2,0,0]=4 3066 B12R1.1373 CC(O)(Cc1cnco1)C(=O)O Amb33319955 [0,2,0,0,0,0|1,0,1]=4 3067 B12R1.1373 CC(O)(Cc1cncs1)C(=O)O Amb33268774 [0,2,0,0,0,0|1,0,1]=4 3068 B12R1.1373 CC(O)(Cc1cscn1)C(=O)O Amb33417830 [0,2,0,0,0,0|1,0,0]=3 3069 B12R1.1373 CC(O)(Cc1csnn1)C(=O)O Amb33321111 [0,2,0,0,0,0|2,0,0]=4 3070 B12R1.1373 CC(O)(Cc1nccs1)C(=O)O Amb33310355 [0,2,0,0,0,0|2,0,0]=4 3071 B12R1.1373 CC(O)(Cn1cncn1)C(=O)O Amb27426909 [0,2,0,0,0,0|1,0,1]=4 3072 B12R1.1373 O=C(O)C(F)(F)Cc1ccco1 Amb33170639 [0,2,0,0,0,0|2,0,0]=4 3073 B12R1.1373 O=C(O)C(F)(F)Cc1cccs1 Amb33170640 [0,2,0,0,0,0|2,0,0]=4 3074 B12R1.1373 O=C(O)C(F)(F)Cc1ccoc1 Amb33170638 [0,2,0,0,0,0|2,0,0]=4 3075 B12R1.1373 O=C(O)C(F)(F)Cc1ccon1 Amb33010424 [0,2,0,0,0,0|2,0,0]=4 3076 B12R1.1373 O=C(O)C(F)(F)Cc1ccsc1 Amb33170641 [0,2,0,0,0,0|2,0,0]=4 3077 B12R1.1373 O=C(O)C(F)(F)Cc1ccsn1 Amb33170642 [0,2,0,0,0,0|2,0,0]=4 3078 B12R1.1373 O=C(O)C(F)(F)Cc1cnco1 Amb32745782 [0,2,0,0,0,0|1,0,1]=4 3079 B12R1.1373 O=C(O)C(F)(F)Cc1cncs1 Amb33171198 [0,2,0,0,0,0|1,0,1]=4 3080 B12R1.1373 O=C(O)C(F)(F)Cc1cscn1 Amb33170972 [0,2,0,0,0,0|1,0,0]=3 3081 B12R1.1373 O=C(O)C(F)(F)Cc1csnn1 Amb32748276 [0,2,0,0,0,0|2,0,0]=4 3082 B12R1.1373 O=C(O)C(F)(F)Cc1nccs1 Amb26591840 [0,2,0,0,0,0|2,0,0]=4 3083 B12R1.1373 O=C(O)C(F)(F)Cn1cccn1 Amb26914728 [0,2,0,0,0,0|2,0,0]=4 3084 B12R1.1373 O=C(O)C(F)(F)Cn1cncn1 Amb28199004 [0,2,0,0,0,0|1,0,1]=4 3085 B12R1.59 C#Cc1ccn(CCC(=O)O)n1 Amb24269261 [0,2,0,0,0,0|2,0,0]=4 3086 B12R1.59 C#Cc1cnn(CCC(=O)O)c1 Amb20620041 [0,2,0,0,0,0|2,0,0]=4 3087 B12R1.59 C=Cn1cc(CCC(=O)O)cn1 Amb32726758 [0,2,0,0,0,0|2,0,0]=4 3088 B12R1.59 CCc1ccc(CCC(=O)O)o1 Amb18799027 [0,2,0,0,0,0|2,0,0]=4 3089 B12R1.59 CCc1ccc(CCC(=O)O)s1 Amb9384329 [0,2,0,0,0,0|2,0,0]=4 3090 B12R1.59 CCc1coc(CCC(=O)O)n1 Amb18826167 [0,2,0,0,0,0|2,0,0]=4 3091 B12R1.59 CCc1csc(CCC(=O)O)n1 Amb17139110 [0,2,0,0,0,0|2,0,0]=4 3092 B12R1.59 CCc1nc(CCC(=O)O)co1 Amb17400298 [0,2,0,0,0,0|1,0,0]=3 3093 B12R1.59 CCc1nc(CCC(=O)O)cs1 Amb8010317 [0,2,0,0,0,0|1,0,0]=3 3094 B12R1.59 CCc1nc(CCC(=O)O)no1 Amb17081560 [0,2,0,0,0,0|2,0,0]=4 3095 B12R1.59 CCc1nc(CCC(=O)O)ns1 Amb18822053 [0,2,0,0,0,0|2,0,0]=4 3096 B12R1.59 CCc1ncc(CCC(=O)O)o1 Amb32420498 [0,2,0,0,0,0|1,0,1]=4 3097 B12R1.59 CCc1noc(CCC(=O)O)n1 Amb33528896 [0,2,0,0,0,0|1,0,1]=4 3098 B12R1.59 CCn1cc(CCC(=O)O)cn1 Amb6888814 [0,2,0,0,0,0|2,0,0]=4 3099 B12R1.59 CCn1ccc(CCC(=O)O)n1 Amb6888351 [0,2,0,0,0,0|2,0,0]=4 3100 B12R1.59 CCn1cnc(C#CC(=O)O)c1 Amb25669791 [0,2,0,0,0,0|0,0,2]=4 3101 B12R1.59 CCn1cnc(CCC(=O)O)c1 Amb18862750 [0,2,0,0,0,0|0,0,0]=2 3102 B12R1.59 CCn1cnc(\C=C\C(=O)O)c1 Amb26975987 [0,2,0,0,0,0|0,0,2]=4 3103 B12R1.59 CNc1nc(CCC(=O)O)cs1 Amb17234295 [0,2,0,0,0,0|1,0,0]=3 3104 B12R1.59 COc1csc(CCC(=O)O)c1 Amb33470245 [0,2,0,0,0,0|2,0,0]=4 3105 B12R1.59 COc1ncc(CCC(=O)O)s1 Amb33359518 [0,2,0,0,0,0|1,0,1]=4 3106 B12R1.59 CSc1ccc(CCC(=O)O)s1 Amb32657711 [0,2,0,0,0,0|2,0,0]=4 3107 B12R1.59 CSc1nc(CCC(=O)O)cs1 Amb18785330 [0,2,0,0,0,0|1,0,0]=3 3108 B12R1.59 N#Cc1ccc(CCC(=O)O)s1 Amb27175629 [0,2,0,0,0,0|2,0,0]=4 3109 B12R1.59 N#Cc1cnn(CCC(=O)O)c1 Amb27264800 [0,2,0,0,0,0|2,0,0]=4 3110 B12R1.59 N#Cc1csc(CCC(=O)O)c1 Amb33472367 [0,2,0,0,0,0|2,0,0]=4 3111 B12R1.59 NCc1nc(CCC(=O)O)cs1 Amb17335834 [0,2,0,0,0,0|1,0,0]=3 3112 B12R1.59 NCc1ncc(CCC(=O)O)o1 Amb32420501 [0,2,0,0,0,0|1,0,1]=4 3113 B12R1.59 O=C(O)CCc1cnc(CF)o1 Amb35745109 [0,2,0,0,0,0|1,0,1]=4 3114 B12R1.59 O=C(O)CCc1cnc(CO)o1 Amb35745102 [0,2,0,0,0,0|1,0,1]=4 3115 B12R1.59 O=Cc1ccc(CCC(=O)O)o1 Amb33068095 [0,2,0,0,0,0|2,0,0]=4 3116 B12R1.59 O=Cc1ccc(CCC(=O)O)s1 Amb17401015 [0,2,0,0,0,0|2,0,0]=4 3117 B12R1.59 O=Cc1ccn(CCC(=O)O)n1 Amb32719417 [0,2,0,0,0,0|2,0,0]=4 3118 B12R1.59 O=Cc1cnn(CCC(=O)O)c1 Amb32719352 [0,2,0,0,0,0|2,0,0]=4 3119 B12R1.103 CC(=O)CC(=O)c1cn(C)cn1 Amb26349451 [0,2,0,0,0,0|1,0,1]=4 3120 B12R1.103 CC(=O)CC(C)c1csc(C)n1 Amb27212358 [0,2,0,0,0,0|2,0,0]=4 3121 B12R1.103 CC(CC(=O)O)c1cc(Br)co1 Amb33431527 [0,2,0,0,0,0|2,0,0]=4 3122 B12R1.103 CC(CC(=O)O)c1cc(Br)cs1 Amb18072092 [0,2,0,0,0,0|2,0,0]=4 3123 B12R1.103 CC(CC(=O)O)c1cc(Cl)cs1 Amb33057556 [0,2,0,0,0,0|2,0,0]=4 3124 B12R1.103 CC(CC(=O)O)c1ccc(Br)o1 Amb25200837 [0,2,0,0,0,0|2,0,0]=4 3125 B12R1.103 CC(CC(=O)O)c1ccc(Br)s1 Amb17196547 [0,2,0,0,0,0|2,0,0]=4 3126 B12R1.103 CC(CC(=O)O)c1ccc(Cl)o1 Amb33259297 [0,2,0,0,0,0|2,0,0]=4 3127 B12R1.103 CC(CC(=O)O)c1ccc(Cl)s1 Amb17190845 [0,2,0,0,0,0|2,0,0]=4 3128 B12R1.103 CC(CC(=O)O)c1ccn(C)c1 Amb18563804 [0,2,0,0,0,0|1,0,0]=3 3129 B12R1.103 CC(CC(=O)O)c1ccn(C)n1 Amb25159928 [0,2,0,0,0,0|2,0,0]=4 3130 B12R1.103 CC(CC(=O)O)c1cn(C)cn1 Amb25198676 [0,2,0,0,0,0|0,0,0]=2 3131 B12R1.103 CC(CC(=O)O)c1cn(C)nn1 Amb25897085 [0,2,0,0,0,0|1,0,0]=3 3132 B12R1.103 CC(CC(=O)O)c1cnc(Cl)s1 Amb33059204 [0,2,0,0,0,0|1,0,1]=4 3133 B12R1.103 CC(CC(=O)O)c1cnn(C)c1 Amb27657484 [0,2,0,0,0,0|2,0,0]=4 3134 B12R1.103 CC(CC(=O)O)c1csc(Br)c1 Amb33432828 [0,2,0,0,0,0|2,0,0]=4 3135 B12R1.103 CC(CC(=O)O)c1csc(Br)n1 Amb33334935 [0,2,0,0,0,0|1,0,0]=3 3136 B12R1.103 CC(CC(=O)O)c1csc(Cl)c1 Amb27796039 [0,2,0,0,0,0|2,0,0]=4 3137 B12R1.103 CC(CC(=O)O)c1ncc(Br)s1 Amb33434047 [0,2,0,0,0,0|2,0,0]=4 3138 B12R1.103 CC(CC(=O)O)n1cc(Br)cn1 Amb18971496 [0,2,0,0,0,0|2,0,0]=4 3139 B12R1.103 CC(CC(=O)O)n1ccc(Br)n1 Amb31207712 [0,2,0,0,0,0|2,0,0]=4 3140 B12R1.103 CC(O)CC(C)c1cn(C)cn1 Amb28078023 [0,2,0,0,0,0|1,0,1]=4 3141 B12R1.103 Cc1cc(C(C)CC(=O)O)no1 Amb33317122 [0,2,0,0,0,0|2,0,0]=4 3142 B12R1.103 Cc1cc(C(N)CC(=O)O)cs1 Amb28066756 [0,2,0,0,0,0|2,0,0]=4 3143 B12R1.103 Cc1cc(C(N)CC(=O)O)no1 Amb33317132 [0,2,0,0,0,0|2,0,0]=4 3144 B12R1.103 Cc1cc(C(O)CC(=O)O)no1 Amb18198718 [0,2,0,0,0,0|2,0,0]=4 3145 B12R1.103 Cc1cc([C@@H](N)CC(=O)O)cs1 Amb25679841 [0,2,0,0,0,0|2,0,0]=4 3146 B12R1.103 Cc1cc([C@@H](O)CC(=O)O)no1 Amb33316794 [0,2,0,0,0,0|2,0,0]=4 3147 B12R1.103 Cc1cc([C@H](N)CC(=O)O)cs1 Amb24364778 [0,2,0,0,0,0|2,0,0]=4 3148 B12R1.103 Cc1cc([C@H](O)CC(=O)O)no1 Amb33316793 [0,2,0,0,0,0|2,0,0]=4 3149 B12R1.103 Cc1ccc(C(C)CC(=O)O)o1 Amb6749206 [0,2,0,0,0,0|2,0,0]=4 3150 B12R1.103 Cc1ccc(C(C)CC(=O)O)s1 Amb25996041 [0,2,0,0,0,0|2,0,0]=4 3151 B12R1.103 Cc1ccc(C(N)CC(=O)O)o1 Amb2441394 [0,2,0,0,0,0|2,0,0]=4 3152 B12R1.103 Cc1ccc(C(N)CC(=O)O)o1 Amb32666384 [0,2,0,0,0,0|2,0,0]=4 3153 B12R1.103 Cc1ccc(C(N)CC(=O)O)s1 Amb3948448 [0,2,0,0,0,0|2,0,0]=4 3154 B12R1.103 Cc1ccc(C(O)CC(=O)O)o1 Amb26961921 [0,2,0,0,0,0|2,0,0]=4 3155 B12R1.103 Cc1ccc(C(O)CC(=O)O)s1 Amb18298160 [0,2,0,0,0,0|2,0,0]=4 3156 B12R1.103 Cc1ccc([C@@H](N)CC(=O)O)o1 Amb18793276 [0,2,0,0,0,0|2,0,0]=4 3157 B12R1.103 Cc1ccc([C@@H](N)CC(=O)O)o1 Amb19514934 [0,2,0,0,0,0|2,0,0]=4 3158 B12R1.103 Cc1ccc([C@@H](N)CC(=O)O)s1 Amb18323197 [0,2,0,0,0,0|2,0,0]=4 3159 B12R1.103 Cc1ccc([C@@H](O)CC(=O)O)o1 Amb33318204 [0,2,0,0,0,0|2,0,0]=4 3160 B12R1.103 Cc1ccc([C@@H](O)CC(=O)O)s1 Amb33375500 [0,2,0,0,0,0|2,0,0]=4 3161 B12R1.103 Cc1ccc([C@H](N)CC(=O)O)o1 Amb25059364 [0,2,0,0,0,0|2,0,0]=4 3162 B12R1.103 Cc1ccc([C@H](N)CC(=O)O)s1 Amb25095008 [0,2,0,0,0,0|2,0,0]=4 3163 B12R1.103 Cc1ccc([C@H](O)CC(=O)O)o1 Amb33318202 [0,2,0,0,0,0|2,0,0]=4 3164 B12R1.103 Cc1ccc([C@H](O)CC(=O)O)s1 Amb33375499 [0,2,0,0,0,0|2,0,0]=4 3165 B12R1.103 Cc1ccn(C(C)CC(=O)O)n1 Amb33544607 [0,2,0,0,0,0|2,0,0]=4 3166 B12R1.103 Cc1cnc(C(N)CC(=O)O)s1 Amb25310359 [0,2,0,0,0,0|2,0,0]=4 3167 B12R1.103 Cc1cnc([C@@H](N)CC(=O)O)s1 Amb26400640 [0,2,0,0,0,0|2,0,0]=4 3168 B12R1.103 Cc1cnc([C@H](N)CC(=O)O)s1 Amb24624795 [0,2,0,0,0,0|2,0,0]=4 3169 B12R1.103 Cc1cnn(C(C)CC(=O)O)c1 Amb18969538 [0,2,0,0,0,0|2,0,0]=4 3170 B12R1.103 Cc1coc(C(N)CC(=O)O)c1 Amb25105856 [0,2,0,0,0,0|2,0,0]=4 3171 B12R1.103 Cc1coc(C(O)CC(=O)O)n1 Amb18198721 [0,2,0,0,0,0|2,0,0]=4 3172 B12R1.103 Cc1coc([C@@H](N)CC(=O)O)c1 Amb26862631 [0,2,0,0,0,0|2,0,0]=4 3173 B12R1.103 Cc1coc([C@H](N)CC(=O)O)c1 Amb28044903 [0,2,0,0,0,0|2,0,0]=4 3174 B12R1.103 Cc1csc(C(C)CC(=O)O)c1 Amb33427992 [0,2,0,0,0,0|2,0,0]=4 3175 B12R1.103 Cc1csc(C(C)CC(=O)O)n1 Amb17335760 [0,2,0,0,0,0|2,0,0]=4 3176 B12R1.103 Cc1csc(C(N)CC(=O)O)c1 Amb24426716 [0,2,0,0,0,0|2,0,0]=4 3177 B12R1.103 Cc1csc(C(N)CC(=O)O)n1 Amb25082724 [0,2,0,0,0,0|2,0,0]=4 3178 B12R1.103 Cc1csc(C(O)CC(=O)O)c1 Amb33427599 [0,2,0,0,0,0|2,0,0]=4 3179 B12R1.103 Cc1csc([C@@H](N)CC(=O)O)n1 Amb26954529 [0,2,0,0,0,0|2,0,0]=4 3180 B12R1.103 Cc1csc([C@@H](O)CC(=O)O)c1 Amb33427598 [0,2,0,0,0,0|2,0,0]=4 3181 B12R1.103 Cc1csc([C@H](N)CC(=O)O)n1 Amb25896416 [0,2,0,0,0,0|2,0,0]=4 3182 B12R1.103 Cc1csc([C@H](O)CC(=O)O)c1 Amb33427597 [0,2,0,0,0,0|2,0,0]=4 3183 B12R1.103 Cc1nc(C(C)CC(=O)O)cs1 Amb28054038 [0,2,0,0,0,0|1,0,0]=3 3184 B12R1.103 Cc1nc(C(C)CC(=O)O)no1 Amb24116884 [0,2,0,0,0,0|2,0,0]=4 3185 B12R1.103 Cc1nc(C(N)CC(=O)O)cs1 Amb27800717 [0,2,0,0,0,0|1,0,0]=3 3186 B12R1.103 Cc1nc(C(N)CC(N)=O)cs1 Amb26957236 [0,2,0,0,0,0|2,0,0]=4 3187 B12R1.103 Cc1nc(C(O)CC(=O)O)cs1 Amb18821628 [0,2,0,0,0,0|1,0,0]=3 3188 B12R1.103 Cc1nc([C@@H](N)CC(=O)O)cs1 Amb25823862 [0,2,0,0,0,0|1,0,0]=3 3189 B12R1.103 Cc1nc([C@@H](N)CC(N)=O)cs1 Amb25035116 [0,2,0,0,0,0|2,0,0]=4 3190 B12R1.103 Cc1nc([C@@H](O)CC(=O)O)cs1 Amb33415776 [0,2,0,0,0,0|1,0,0]=3 3191 B12R1.103 Cc1nc([C@H](N)CC(=O)O)cs1 Amb25149898 [0,2,0,0,0,0|1,0,0]=3 3192 B12R1.103 Cc1nc([C@H](N)CC(N)=O)cs1 Amb25896732 [0,2,0,0,0,0|2,0,0]=4 3193 B12R1.103 Cc1nc([C@H](O)CC(=O)O)cs1 Amb33415775 [0,2,0,0,0,0|1,0,0]=3 3194 B12R1.103 Cc1ncc(C(C)CC(=O)O)s1 Amb33143735 [0,2,0,0,0,0|1,0,1]=4 3195 B12R1.103 Cc1ncc(C(N)CC(=O)O)s1 Amb25099781 [0,2,0,0,0,0|1,0,1]=4 3196 B12R1.103 Cc1ncc(C(O)CC(=O)O)o1 Amb18198717 [0,2,0,0,0,0|1,0,1]=4 3197 B12R1.103 Cc1ncc(C(O)CC(=O)O)s1 Amb18821627 [0,2,0,0,0,0|1,0,1]=4 3198 B12R1.103 Cc1ncc([C@@H](N)CC(=O)O)s1 Amb26961355 [0,2,0,0,0,0|1,0,1]=4 3199 B12R1.103 Cc1ncc([C@@H](O)CC(=O)O)s1 Amb33148904 [0,2,0,0,0,0|1,0,1]=4 3200 B12R1.103 Cc1ncc([C@H](N)CC(=O)O)s1 Amb25797263 [0,2,0,0,0,0|1,0,1]=4 3201 B12R1.103 Cc1ncc([C@H](O)CC(=O)O)s1 Amb33148903 [0,2,0,0,0,0|1,0,1]=4 3202 B12R1.103 Cn1cc(C(N)CC(=O)O)cn1 Amb6715949 [0,2,0,0,0,0|2,0,0]=4 3203 B12R1.103 Cn1cc(C(N)CC(=O)O)nn1 Amb25681641 [0,2,0,0,0,0|1,0,0]=3 3204 B12R1.103 Cn1cc(C(N)CC(N)=O)nn1 Amb25792258 [0,2,0,0,0,0|2,0,0]=4 3205 B12R1.103 Cn1cc(C(O)CC(=O)O)nn1 Amb33079843 [0,2,0,0,0,0|1,0,0]=3 3206 B12R1.103 Cn1cc([C@@H](N)CC(=O)O)cn1 Amb18793288 [0,2,0,0,0,0|2,0,0]=4 3207 B12R1.103 Cn1cc([C@@H](N)CC(=O)O)nn1 Amb25098524 [0,2,0,0,0,0|1,0,0]=3 3208 B12R1.103 Cn1cc([C@@H](N)CC(N)=O)nn1 Amb26935219 [0,2,0,0,0,0|2,0,0]=4 3209 B12R1.103 Cn1cc([C@@H](O)CC(=O)O)cn1 Amb33361032 [0,2,0,0,0,0|2,0,0]=4 3210 B12R1.103 Cn1cc([C@@H](O)CC(=O)O)nn1 Amb33326046 [0,2,0,0,0,0|1,0,0]=3 3211 B12R1.103 Cn1cc([C@H](N)CC(=O)O)cn1 Amb25734895 [0,2,0,0,0,0|2,0,0]=4 3212 B12R1.103 Cn1cc([C@H](N)CC(=O)O)nn1 Amb26649700 [0,2,0,0,0,0|1,0,0]=3 3213 B12R1.103 Cn1cc([C@H](N)CC(N)=O)nn1 Amb25832438 [0,2,0,0,0,0|2,0,0]=4 3214 B12R1.103 Cn1cc([C@H](O)CC(=O)O)cn1 Amb33360762 [0,2,0,0,0,0|2,0,0]=4 3215 B12R1.103 Cn1cc([C@H](O)CC(=O)O)nn1 Amb33326045 [0,2,0,0,0,0|1,0,0]=3 3216 B12R1.103 Cn1ccc(C(N)CC(=O)O)c1 Amb25372022 [0,2,0,0,0,0|1,0,0]=3 3217 B12R1.103 Cn1ccc(C(N)CC(=O)O)n1 Amb25919467 [0,2,0,0,0,0|2,0,0]=4 3218 B12R1.103 Cn1ccc(C(O)CC(=O)O)n1 Amb24686063 [0,2,0,0,0,0|2,0,0]=4 3219 B12R1.103 Cn1ccc([C@@H](N)CC(=O)O)n1 Amb26944234 [0,2,0,0,0,0|2,0,0]=4 3220 B12R1.103 Cn1ccc([C@@H](O)CC(=O)O)n1 Amb32725976 [0,2,0,0,0,0|2,0,0]=4 3221 B12R1.103 Cn1ccc([C@H](N)CC(=O)O)n1 Amb26944233 [0,2,0,0,0,0|2,0,0]=4 3222 B12R1.103 Cn1ccc([C@H](O)CC(=O)O)n1 Amb32725975 [0,2,0,0,0,0|2,0,0]=4 3223 B12R1.103 Cn1cnc(C(N)CC(=O)O)c1 Amb26649275 [0,2,0,0,0,0|0,0,0]=2 3224 B12R1.103 Cn1cnc(C(N)CC(N)=O)c1 Amb26009232 [0,2,0,0,0,0|1,0,0]=3 3225 B12R1.103 Cn1cnc(C(O)CC(=O)O)c1 Amb33474711 [0,2,0,0,0,0|0,0,0]=2 3226 B12R1.103 Cn1cnc([C@@H](N)CC(=O)O)c1 Amb25136688 [0,2,0,0,0,0|0,0,0]=2 3227 B12R1.103 Cn1cnc([C@@H](N)CC(N)=O)c1 Amb25741196 [0,2,0,0,0,0|1,0,0]=3 3228 B12R1.103 Cn1cnc([C@@H](O)CC(=O)O)c1 Amb33324691 [0,2,0,0,0,0|0,0,0]=2 3229 B12R1.103 Cn1cnc([C@H](N)CC(=O)O)c1 Amb26354602 [0,2,0,0,0,0|0,0,0]=2 3230 B12R1.103 Cn1cnc([C@H](N)CC(N)=O)c1 Amb24660810 [0,2,0,0,0,0|1,0,0]=3 3231 B12R1.103 Cn1cnc([C@H](O)CC(=O)O)c1 Amb33324690 [0,2,0,0,0,0|0,0,0]=2 3232 B12R1.103 Cn1ncc(C(N)CC(=O)O)n1 Amb26841391 [0,2,0,0,0,0|1,0,1]=4 3233 B12R1.103 Cn1ncc([C@@H](N)CC(=O)O)n1 Amb25856752 [0,2,0,0,0,0|1,0,1]=4 3234 B12R1.103 Cn1ncc([C@H](N)CC(=O)O)n1 Amb26627445 [0,2,0,0,0,0|1,0,1]=4 3235 B12R1.103 Cn1nnc(C(N)CC(=O)O)n1 Amb32787460 [0,2,0,0,0,0|2,0,0]=4 3236 B12R1.103 Cn1nnc(C(O)CC(=O)O)n1 Amb35712631 [0,2,0,0,0,0|2,0,0]=4 3237 B12R1.103 Cn1nnc([C@@H](N)CC(=O)O)n1 Amb33254109 [0,2,0,0,0,0|2,0,0]=4 3238 B12R1.103 Cn1nnc([C@H](N)CC(=O)O)n1 Amb33308280 [0,2,0,0,0,0|2,0,0]=4 3239 B12R1.103 NC(CC(=O)O)c1cc(Br)co1 Amb28119395 [0,2,0,0,0,0|2,0,0]=4 3240 B12R1.103 NC(CC(=O)O)c1cc(Br)cs1 Amb4053083 [0,2,0,0,0,0|2,0,0]=4 3241 B12R1.103 NC(CC(=O)O)c1cc(Cl)co1 Amb23537477 [0,2,0,0,0,0|2,0,0]=4 3242 B12R1.103 NC(CC(=O)O)c1cc(Cl)cs1 Amb4053082 [0,2,0,0,0,0|2,0,0]=4 3243 B12R1.103 NC(CC(=O)O)c1ccc(Br)o1 Amb9722403 [0,2,0,0,0,0|2,0,0]=4 3244 B12R1.103 NC(CC(=O)O)c1ccc(Br)s1 Amb4053081 [0,2,0,0,0,0|2,0,0]=4 3245 B12R1.103 NC(CC(=O)O)c1ccc(Cl)o1 Amb2697642 [0,2,0,0,0,0|2,0,0]=4 3246 B12R1.103 NC(CC(=O)O)c1ccc(Cl)s1 Amb32665997 [0,2,0,0,0,0|2,0,0]=4 3247 B12R1.103 NC(CC(=O)O)c1ccc(Cl)s1 Amb33528998 [0,2,0,0,0,0|2,0,0]=4 3248 B12R1.103 NC(CC(=O)O)c1ccc(O)o1 Amb27757283 [0,2,0,0,0,0|2,0,0]=4 3249 B12R1.103 NC(CC(=O)O)c1cnc(Br)s1 Amb27402574 [0,2,0,0,0,0|1,0,1]=4 3250 B12R1.103 NC(CC(=O)O)c1cnc(Cl)s1 Amb33059205 [0,2,0,0,0,0|1,0,1]=4 3251 B12R1.103 NC(CC(=O)O)c1coc(Cl)c1 Amb28400928 [0,2,0,0,0,0|2,0,0]=4 3252 B12R1.103 NC(CC(=O)O)c1csc(Br)c1 Amb25768125 [0,2,0,0,0,0|2,0,0]=4 3253 B12R1.103 NC(CC(=O)O)c1csc(Br)n1 Amb33334933 [0,2,0,0,0,0|1,0,0]=3 3254 B12R1.103 NC(CC(=O)O)c1csc(Cl)c1 Amb26957192 [0,2,0,0,0,0|2,0,0]=4 3255 B12R1.103 NC(CC(=O)O)c1csc(O)c1 Amb28079014 [0,2,0,0,0,0|2,0,0]=4 3256 B12R1.103 NC(CC(=O)O)c1ncc(Br)s1 Amb32787787 [0,2,0,0,0,0|2,0,0]=4 3257 B12R1.103 NC(CC(=O)O)c1ncc(Cl)s1 Amb24581875 [0,2,0,0,0,0|2,0,0]=4 3258 B12R1.103 NC(CC(=O)O)c1ncc(I)s1 Amb25856024 [0,2,0,0,0,0|2,0,0]=4 3259 B12R1.103 N[C@@H](CC(=O)O)c1cc(Br)co1 Amb27859068 [0,2,0,0,0,0|2,0,0]=4 3260 B12R1.103 N[C@@H](CC(=O)O)c1cc(Br)cs1 Amb26364972 [0,2,0,0,0,0|2,0,0]=4 3261 B12R1.103 N[C@@H](CC(=O)O)c1cc(Cl)cs1 Amb27803432 [0,2,0,0,0,0|2,0,0]=4 3262 B12R1.103 N[C@@H](CC(=O)O)c1cc(F)cs1 Amb28205271 [0,2,0,0,0,0|2,0,0]=4 3263 B12R1.103 N[C@@H](CC(=O)O)c1ccc(Br)o1 Amb24627512 [0,2,0,0,0,0|2,0,0]=4 3264 B12R1.103 N[C@@H](CC(=O)O)c1ccc(Br)s1 Amb25702027 [0,2,0,0,0,0|2,0,0]=4 3265 B12R1.103 N[C@@H](CC(=O)O)c1ccc(Cl)s1 Amb26033089 [0,2,0,0,0,0|2,0,0]=4 3266 B12R1.103 N[C@@H](CC(=O)O)c1ccc(F)o1 Amb28400681 [0,2,0,0,0,0|2,0,0]=4 3267 B12R1.103 N[C@@H](CC(=O)O)c1coc(Br)c1 Amb28348657 [0,2,0,0,0,0|2,0,0]=4 3268 B12R1.103 N[C@@H](CC(=O)O)c1coc(Cl)c1 Amb27587507 [0,2,0,0,0,0|2,0,0]=4 3269 B12R1.103 N[C@@H](CC(=O)O)c1csc(Br)c1 Amb27784207 [0,2,0,0,0,0|2,0,0]=4 3270 B12R1.103 N[C@@H](CC(=O)O)c1ncc(Br)s1 Amb33255563 [0,2,0,0,0,0|2,0,0]=4 3271 B12R1.103 N[C@@H](CC(=O)O)c1ncc(Cl)s1 Amb25156783 [0,2,0,0,0,0|2,0,0]=4 3272 B12R1.103 N[C@@H](CC(=O)O)c1ncc(I)s1 Amb24730431 [0,2,0,0,0,0|2,0,0]=4 3273 B12R1.103 N[C@H](CC(=O)O)c1cc(Br)cs1 Amb25136932 [0,2,0,0,0,0|2,0,0]=4 3274 B12R1.103 N[C@H](CC(=O)O)c1cc(Cl)cs1 Amb26371859 [0,2,0,0,0,0|2,0,0]=4 3275 B12R1.103 N[C@H](CC(=O)O)c1ccc(Br)o1 Amb25136933 [0,2,0,0,0,0|2,0,0]=4 3276 B12R1.103 N[C@H](CC(=O)O)c1ccc(Br)s1 Amb24485192 [0,2,0,0,0,0|2,0,0]=4 3277 B12R1.103 N[C@H](CC(=O)O)c1ccc(Cl)s1 Amb20667662 [0,2,0,0,0,0|2,0,0]=4 3278 B12R1.103 N[C@H](CC(=O)O)c1ccc(Cl)s1 Amb26033232 [0,2,0,0,0,0|2,0,0]=4 3279 B12R1.103 N[C@H](CC(=O)O)c1ccc(F)o1 Amb27241124 [0,2,0,0,0,0|2,0,0]=4 3280 B12R1.103 N[C@H](CC(=O)O)c1coc(Cl)c1 Amb28044904 [0,2,0,0,0,0|2,0,0]=4 3281 B12R1.103 N[C@H](CC(=O)O)c1coc(O)c1 Amb27812110 [0,2,0,0,0,0|2,0,0]=4 3282 B12R1.103 N[C@H](CC(=O)O)c1csc(Br)c1 Amb25800769 [0,2,0,0,0,0|2,0,0]=4 3283 B12R1.103 N[C@H](CC(=O)O)c1csc(F)c1 Amb27242888 [0,2,0,0,0,0|2,0,0]=4 3284 B12R1.103 N[C@H](CC(=O)O)c1csc(O)c1 Amb27603539 [0,2,0,0,0,0|2,0,0]=4 3285 B12R1.103 N[C@H](CC(=O)O)c1ncc(Br)s1 Amb33308188 [0,2,0,0,0,0|2,0,0]=4 3286 B12R1.103 N[C@H](CC(=O)O)c1ncc(Cl)s1 Amb25358015 [0,2,0,0,0,0|2,0,0]=4 3287 B12R1.103 N[C@H](CC(=O)O)c1ncc(I)s1 Amb27167198 [0,2,0,0,0,0|2,0,0]=4 3288 B12R1.103 Nc1cc(C(N)CC(=O)O)cs1 Amb27220159 [0,2,0,0,0,0|2,0,0]=4 3289 B12R1.103 Nc1cc([C@@H](N)CC(=O)O)co1 Amb28136964 [0,2,0,0,0,0|2,0,0]=4 3290 B12R1.103 Nc1cc([C@@H](N)CC(=O)O)cs1 Amb27172248 [0,2,0,0,0,0|2,0,0]=4 3291 B12R1.103 Nc1ccc(C(N)CC(=O)O)s1 Amb27632819 [0,2,0,0,0,0|2,0,0]=4 3292 B12R1.103 Nc1ccc([C@@H](N)CC(=O)O)o1 Amb27241194 [0,2,0,0,0,0|2,0,0]=4 3293 B12R1.103 Nc1coc([C@@H](N)CC(=O)O)c1 Amb28127033 [0,2,0,0,0,0|2,0,0]=4 3294 B12R1.103 Nc1ncc(C(N)CC(=O)O)s1 Amb25989330 [0,2,0,0,0,0|1,0,1]=4 3295 B12R1.103 O=C(O)CC(O)c1cc(Br)co1 Amb24575760 [0,2,0,0,0,0|2,0,0]=4 3296 B12R1.103 O=C(O)CC(O)c1cc(Br)cs1 Amb33249585 [0,2,0,0,0,0|2,0,0]=4 3297 B12R1.103 O=C(O)CC(O)c1cc(Cl)cs1 Amb33057886 [0,2,0,0,0,0|2,0,0]=4 3298 B12R1.103 O=C(O)CC(O)c1ccc(Br)o1 Amb33452006 [0,2,0,0,0,0|2,0,0]=4 3299 B12R1.103 O=C(O)CC(O)c1ccc(Br)s1 Amb33249584 [0,2,0,0,0,0|2,0,0]=4 3300 B12R1.103 O=C(O)CC(O)c1ccc(Cl)o1 Amb33259300 [0,2,0,0,0,0|2,0,0]=4 3301 B12R1.103 O=C(O)CC(O)c1ccc(Cl)s1 Amb27601844 [0,2,0,0,0,0|2,0,0]=4 3302 B12R1.103 O=C(O)CC(O)c1cnc(Cl)s1 Amb25816797 [0,2,0,0,0,0|1,0,1]=4 3303 B12R1.103 O=C(O)CC(O)c1csc(Br)c1 Amb33242625 [0,2,0,0,0,0|2,0,0]=4 3304 B12R1.103 O=C(O)CC(O)c1csc(Br)n1 Amb33335422 [0,2,0,0,0,0|1,0,0]=3 3305 B12R1.103 O=C(O)CC(O)c1ncc(Br)s1 Amb27604104 [0,2,0,0,0,0|2,0,0]=4 3306 B12R1.103 O=C(O)C[C@@H](O)c1cc(Br)co1 Amb33431593 [0,2,0,0,0,0|2,0,0]=4 3307 B12R1.103 O=C(O)C[C@@H](O)c1cc(Br)cs1 Amb33388302 [0,2,0,0,0,0|2,0,0]=4 3308 B12R1.103 O=C(O)C[C@@H](O)c1cc(Cl)cs1 Amb33057809 [0,2,0,0,0,0|2,0,0]=4 3309 B12R1.103 O=C(O)C[C@@H](O)c1ccc(Br)o1 Amb33452011 [0,2,0,0,0,0|2,0,0]=4 3310 B12R1.103 O=C(O)C[C@@H](O)c1ccc(Br)s1 Amb33007706 [0,2,0,0,0,0|2,0,0]=4 3311 B12R1.103 O=C(O)C[C@@H](O)c1ccc(Cl)o1 Amb33258837 [0,2,0,0,0,0|2,0,0]=4 3312 B12R1.103 O=C(O)C[C@@H](O)c1cnc(Cl)s1 Amb33220977 [0,2,0,0,0,0|1,0,1]=4 3313 B12R1.103 O=C(O)C[C@@H](O)c1csc(Br)c1 Amb33433198 [0,2,0,0,0,0|2,0,0]=4 3314 B12R1.103 O=C(O)C[C@@H](O)c1csc(Br)n1 Amb33335429 [0,2,0,0,0,0|1,0,0]=3 3315 B12R1.103 O=C(O)C[C@@H](O)c1ncc(Br)s1 Amb33434462 [0,2,0,0,0,0|2,0,0]=4 3316 B12R1.103 O=C(O)C[C@H](O)c1cc(Br)co1 Amb33431591 [0,2,0,0,0,0|2,0,0]=4 3317 B12R1.103 O=C(O)C[C@H](O)c1cc(Br)cs1 Amb33388299 [0,2,0,0,0,0|2,0,0]=4 3318 B12R1.103 O=C(O)C[C@H](O)c1cc(Cl)cs1 Amb33057892 [0,2,0,0,0,0|2,0,0]=4 3319 B12R1.103 O=C(O)C[C@H](O)c1ccc(Br)o1 Amb33452009 [0,2,0,0,0,0|2,0,0]=4 3320 B12R1.103 O=C(O)C[C@H](O)c1ccc(Br)s1 Amb33007702 [0,2,0,0,0,0|2,0,0]=4 3321 B12R1.103 O=C(O)C[C@H](O)c1ccc(Cl)o1 Amb33258836 [0,2,0,0,0,0|2,0,0]=4 3322 B12R1.103 O=C(O)C[C@H](O)c1cnc(Cl)s1 Amb33220972 [0,2,0,0,0,0|1,0,1]=4 3323 B12R1.103 O=C(O)C[C@H](O)c1csc(Br)c1 Amb33432931 [0,2,0,0,0,0|2,0,0]=4 3324 B12R1.103 O=C(O)C[C@H](O)c1csc(Br)n1 Amb33335426 [0,2,0,0,0,0|1,0,0]=3 3325 B12R1.103 O=C(O)C[C@H](O)c1ncc(Br)s1 Amb33434460 [0,2,0,0,0,0|2,0,0]=4 3326 B12R1.110 CN1N=C(CCC(=O)O)CC1=O Amb18825798 [0,2,0,0,0,0|2,0,0]=4 3327 B12R1.110 Cc1cc(CCC(=O)O)nn1C Amb17470467 [0,2,0,0,0,0|2,0,0]=4 3328 B12R1.110 Cc1cc(CCC(=O)O)sc1Br Amb33470252 [0,2,0,0,0,0|2,0,0]=4 3329 B12R1.110 Cc1cc(CCC(=O)O)sc1C Amb26371573 [0,2,0,0,0,0|2,0,0]=4 3330 B12R1.110 Cc1cn(CCC(=O)O)nc1I Amb27765914 [0,2,0,0,0,0|2,0,0]=4 3331 B12R1.110 Cc1cn(CCC(=O)O)nc1N Amb26637575 [0,2,0,0,0,0|2,0,0]=4 3332 B12R1.110 Cc1nc(CCC(=O)O)cn1C Amb18562823 [0,2,0,0,0,0|0,0,0]=2 3333 B12R1.110 Cc1nc(CCC(=O)O)nn1C Amb18862809 [0,2,0,0,0,0|1,0,0]=3 3334 B12R1.110 Cc1nc(CCC(=O)O)oc1C Amb17087660 [0,2,0,0,0,0|2,0,0]=4 3335 B12R1.110 Cc1nc(CCC(=O)O)oc1N Amb18825727 [0,2,0,0,0,0|2,0,0]=4 3336 B12R1.110 Cc1nc(CCC(=O)O)oc1O Amb25244763 [0,2,0,0,0,0|2,0,0]=4 3337 B12R1.110 Cc1nc(CCC(=O)O)sc1Br Amb25141181 [0,2,0,0,0,0|2,0,0]=4 3338 B12R1.110 Cc1nc(CCC(=O)O)sc1C Amb17139109 [0,2,0,0,0,0|2,0,0]=4 3339 B12R1.110 Cc1nc(CCC(=O)O)sc1Cl Amb27480889 [0,2,0,0,0,0|2,0,0]=4 3340 B12R1.110 Cc1nn(CCC(=O)O)cc1Br Amb1933747 [0,2,0,0,0,0|2,0,0]=4 3341 B12R1.110 Cc1nn(CCC(=O)O)cc1Cl Amb1945533 [0,2,0,0,0,0|2,0,0]=4 3342 B12R1.110 Cc1nn(CCC(=O)O)cc1I Amb1945904 [0,2,0,0,0,0|2,0,0]=4 3343 B12R1.110 Cc1nn(CCC(=O)O)cc1N Amb32706621 [0,2,0,0,0,0|2,0,0]=4 3344 B12R1.110 Cc1sc(CCC(=O)O)cc1Br Amb25108870 [0,2,0,0,0,0|2,0,0]=4 3345 B12R1.110 Cn1cc(C#CC(=O)O)nc1Br Amb35656197 [0,2,0,0,0,0|0,0,2]=4 3346 B12R1.110 Cn1cc(CCC(=O)O)nc1Cl Amb27638756 [0,2,0,0,0,0|0,0,0]=2 3347 B12R1.110 Cn1cc(\C=C\C(=O)O)nc1S Amb18648900 [0,2,0,0,0,0|0,0,2]=4 3348 B12R1.110 Cn1nc(CCC(=O)O)cc1N Amb27633313 [0,2,0,0,0,0|2,0,0]=4 3349 B12R1.110 Nc1nn(CCC(=O)O)cc1Br Amb22280425 [0,2,0,0,0,0|2,0,0]=4 3350 B12R1.110 Nc1nn(CCC(=O)O)cc1Br Amb6890580 [0,2,0,0,0,0|2,0,0]=4 3351 B12R1.110 Nc1nn(CCC(=O)O)cc1Cl Amb9777863 [0,2,0,0,0,0|2,0,0]=4 3352 B12R1.110 Nc1nn(CCC(=O)O)cc1I Amb24268879 [0,2,0,0,0,0|2,0,0]=4 3353 B12R1.110 Nc1nn(CCC(=O)O)cc1I Amb24492818 [0,2,0,0,0,0|2,0,0]=4 3354 B12R1.110 O=C(O)CCc1cc(Br)c(Br)o1 Amb27866773 [0,2,0,0,0,0|2,0,0]=4 3355 B12R1.110 O=C(O)CCc1cc(Br)c(Br)s1 Amb27760276 [0,2,0,0,0,0|2,0,0]=4 3356 B12R1.110 O=C(O)CCc1cc(Br)c(Cl)o1 Amb23539106 [0,2,0,0,0,0|2,0,0]=4 3357 B12R1.110 O=C(O)CCc1cc(Br)c(Cl)s1 Amb27490661 [0,2,0,0,0,0|2,0,0]=4 3358 B12R1.110 O=C(O)CCc1cc(Cl)c(Cl)s1 Amb23560506 [0,2,0,0,0,0|2,0,0]=4 3359 B12R1.110 O=C(O)CCn1cc(Cl)c(I)n1 Amb27170525 [0,2,0,0,0,0|2,0,0]=4 3360 B12R1.836 Cn1cnc(CCS(=O)(=O)Cl)c1 Amb33053062 [0,2,0,0,0,0|1,0,1]=4 3361 B12R1.836 Cn1cnc(CCS(=O)(=O)F)c1 Amb33053079 [0,2,0,0,0,0|1,0,1]=4 3362 B12R1.861 CC1=NC(CCC(=O)O)C(=O)O1 Amb24591817 [0,2,0,0,0,0|1,0,1]=4 3363 B12R1.861 CC1=NN(CCC(=O)O)C(=O)O1 Amb30025811 [0,2,0,0,0,0|2,0,0]=4 3364 B12R1.861 Cc1cc(Br)c(CCC(=O)O)s1 Amb33431355 [0,2,0,0,0,0|2,0,0]=4 3365 B12R1.861 Cc1cc(Br)oc1CCC(=O)O Amb33451867 [0,2,0,0,0,0|2,0,0]=4 3366 B12R1.861 Cc1cc(C)n(CCC(=O)O)n1 Amb1098981 [0,2,0,0,0,0|2,0,0]=4 3367 B12R1.861 Cc1cc(C)n(CCC(=O)O)n1 Amb22587713 [0,2,0,0,0,0|2,0,0]=4 3368 B12R1.861 Cc1cc(CCC(=O)O)c(C)o1 Amb26620584 [0,2,0,0,0,0|2,0,0]=4 3369 B12R1.861 Cc1cc(CCC(=O)O)c(C)s1 Amb18292661 [0,2,0,0,0,0|2,0,0]=4 3370 B12R1.861 Cc1cc(CCC(=O)O)n(C)c1 Amb18827221 [0,2,0,0,0,0|1,0,1]=4 3371 B12R1.861 Cc1cc(Cl)n(CCC(=O)O)n1 Amb27949702 [0,2,0,0,0,0|2,0,0]=4 3372 B12R1.861 Cc1cc(N)nn1CCC(=O)O Amb22280484 [0,2,0,0,0,0|2,0,0]=4 3373 B12R1.861 Cc1cc(N)nn1CCC(=O)O Amb6890910 [0,2,0,0,0,0|2,0,0]=4 3374 B12R1.861 Cc1cn(C)nc1CCC(=O)O Amb18826656 [0,2,0,0,0,0|2,0,0]=4 3375 B12R1.861 Cc1nc(C)c(CCC(=O)O)o1 Amb18826178 [0,2,0,0,0,0|1,0,1]=4 3376 B12R1.861 Cc1nc(C)c(CCC(=O)O)s1 Amb17466108 [0,2,0,0,0,0|1,0,1]=4 3377 B12R1.861 Cc1nc(C)n(CCC(=O)O)n1 Amb535907 [0,2,0,0,0,0|1,0,1]=4 3378 B12R1.861 Cc1nc(CCC(=O)O)c(C)o1 Amb18826177 [0,2,0,0,0,0|1,0,0]=3 3379 B12R1.861 Cc1nc(CCC(=O)O)c(C)s1 Amb18822436 [0,2,0,0,0,0|1,0,0]=3 3380 B12R1.861 Cc1nc(CCC(=O)O)c(N)s1 Amb27406815 [0,2,0,0,0,0|1,0,0]=3 3381 B12R1.861 Cc1nc(CCC(=O)O)c(O)o1 Amb24678745 [0,2,0,0,0,0|1,0,0]=3 3382 B12R1.861 Cc1nc(N)sc1CCC(=O)O Amb17208911 [0,2,0,0,0,0|1,0,1]=4 3383 B12R1.861 Cc1nn(C)cc1CCC(=O)O Amb6254980 [0,2,0,0,0,0|2,0,0]=4 3384 B12R1.861 Cc1oc(Br)cc1CCC(=O)O Amb33470268 [0,2,0,0,0,0|2,0,0]=4 3385 B12R1.861 Cn1cc(Br)c(CCC(=O)O)n1 Amb9767457 [0,2,0,0,0,0|2,0,0]=4 3386 B12R1.861 Cn1cc(Cl)c(CCC(=O)O)n1 Amb6889186 [0,2,0,0,0,0|2,0,0]=4 3387 B12R1.861 N=C1NC(=O)C(CCC(=O)O)O1 Amb27616897 [0,2,0,0,0,0|1,0,1]=4 3388 B12R1.861 NC1=N[C@@H](CCC(=O)O)C(=O)N1 Amb27430552 [0,2,0,0,0,0|0,0,1]=3 3389 B12R1.861 Nc1nc(Br)n(CCC(=O)O)n1 Amb25790396 [0,2,0,0,0,0|1,0,1]=4 3390 B12R1.861 O=C(O)CCC1NC(=O)NC1=O Amb1063501 [0,2,0,0,0,0|0,0,2]=4 3391 B12R1.861 O=C(O)CCC1NC(=S)NC1=O Amb836887 [0,2,0,0,0,0|0,0,2]=4 3392 B12R1.861 O=C(O)CC[C@@H]1NC(=O)NC1=O Amb19517081 [0,2,0,0,0,0|0,0,2]=4 3393 B12R1.861 O=C(O)CCc1cc(Br)sc1Br Amb2611541 [0,2,0,0,0,0|2,0,0]=4 3394 B12R1.861 O=C(O)CCc1sc(Cl)nc1Cl Amb28288552 [0,2,0,0,0,0|1,0,1]=4 3395 B12R1.870 CC1=C(CCC(=O)O)NNC1=O Amb18825765 [0,2,0,0,0,0|2,0,0]=4 3396 B12R1.870 CC1=C(CCC(=O)O)ONC1=O Amb18198712 [0,2,0,0,0,0|2,0,0]=4 3397 B12R1.870 CN1C=CN(CCC(=O)O)C1=O Amb18825760 [0,2,0,0,0,0|2,0,0]=4 3398 B12R1.870 CN1C=NN(CCC(=O)O)C1=O Amb26518968 [0,2,0,0,0,0|1,0,0]=3 3399 B12R1.870 Cc1c(Br)cnn1CCC(=O)O Amb1946336 [0,2,0,0,0,0|2,0,0]=4 3400 B12R1.870 Cc1c(CCC(=O)O)ccn1C Amb18827187 [0,2,0,0,0,0|1,0,0]=3 3401 B12R1.870 Cc1c(CCC(=O)O)cnn1C Amb6888339 [0,2,0,0,0,0|2,0,0]=4 3402 B12R1.870 Cc1c(CCC(=O)O)nnn1C Amb17538046 [0,2,0,0,0,0|1,0,0]=3 3403 B12R1.870 Cc1c(Cl)cnn1CCC(=O)O Amb1945918 [0,2,0,0,0,0|2,0,0]=4 3404 B12R1.870 Cc1c(I)cnn1CCC(=O)O Amb1945836 [0,2,0,0,0,0|2,0,0]=4 3405 B12R1.870 Cc1c(N)cnn1CCC(=O)O Amb32706907 [0,2,0,0,0,0|2,0,0]=4 3406 B12R1.870 Cc1c(\C=C/C(=O)O)ncn1C Amb28141958 [0,2,0,0,0,0|0,0,2]=4 3407 B12R1.870 Cc1csc(CCC(=O)O)c1Br Amb33433470 [0,2,0,0,0,0|2,0,0]=4 3408 B12R1.870 Cc1csc(CCC(=O)O)c1Cl Amb33470249 [0,2,0,0,0,0|2,0,0]=4 3409 B12R1.870 Cc1onc(CCC(=O)O)c1C Amb17735102 [0,2,0,0,0,0|2,0,0]=4 3410 B12R1.870 Cc1scc(CCC(=O)O)c1C Amb33470269 [0,2,0,0,0,0|2,0,0]=4 3411 B12R1.870 Cc1snc(CCC(=O)O)c1C Amb18822438 [0,2,0,0,0,0|2,0,0]=4 3412 B12R1.870 Cn1ncc(CCC(=O)O)c1I Amb33470265 [0,2,0,0,0,0|2,0,0]=4 3413 B12R1.870 Cn1ncc(CCC(=O)O)c1N Amb18826131 [0,2,0,0,0,0|2,0,0]=4 3414 B12R1.144 CC(CC(=O)O)c1cccn1C Amb25295522 [0,2,0,0,0,0|1,0,1]=4 3415 B12R1.144 CC(CC(=O)O)c1cncn1C Amb33343801 [0,2,0,0,0,0|0,0,2]=4 3416 B12R1.144 CC(CC(=O)O)c1nccn1C Amb18826683 [0,2,0,0,0,0|2,0,0]=4 3417 B12R1.144 CC(CC(=O)O)c1occc1Br Amb27637941 [0,2,0,0,0,0|2,0,0]=4 3418 B12R1.144 CC(CC(=O)O)c1sccc1Br Amb25834864 [0,2,0,0,0,0|2,0,0]=4 3419 B12R1.144 CC(CC(=O)O)c1sccc1Cl Amb27869252 [0,2,0,0,0,0|2,0,0]=4 3420 B12R1.144 CC(CC(=O)O)n1nccc1N Amb27629297 [0,2,0,0,0,0|2,0,0]=4 3421 B12R1.144 Cc1ccoc1C(C)CC(=O)O Amb33344752 [0,2,0,0,0,0|2,0,0]=4 3422 B12R1.144 Cc1ccoc1C(N)CC(=O)O Amb24687843 [0,2,0,0,0,0|2,0,0]=4 3423 B12R1.144 Cc1ccoc1C(O)CC(=O)O Amb25160399 [0,2,0,0,0,0|2,0,0]=4 3424 B12R1.144 Cc1ccoc1[C@@H](N)CC(=O)O Amb26639052 [0,2,0,0,0,0|2,0,0]=4 3425 B12R1.144 Cc1ccoc1[C@@H](O)CC(=O)O Amb33343824 [0,2,0,0,0,0|2,0,0]=4 3426 B12R1.144 Cc1ccoc1[C@H](N)CC(=O)O Amb24437413 [0,2,0,0,0,0|2,0,0]=4 3427 B12R1.144 Cc1ccoc1[C@H](O)CC(=O)O Amb33343823 [0,2,0,0,0,0|2,0,0]=4 3428 B12R1.144 Cc1ccsc1C(C)CC(=O)O Amb27646216 [0,2,0,0,0,0|2,0,0]=4 3429 B12R1.144 Cc1ccsc1C(N)CC(=O)O Amb6269601 [0,2,0,0,0,0|2,0,0]=4 3430 B12R1.144 Cc1ccsc1C(O)CC(=O)O Amb18298169 [0,2,0,0,0,0|2,0,0]=4 3431 B12R1.144 Cc1ccsc1[C@@H](N)CC(=O)O Amb19057939 [0,2,0,0,0,0|2,0,0]=4 3432 B12R1.144 Cc1ccsc1[C@@H](O)CC(=O)O Amb33202988 [0,2,0,0,0,0|2,0,0]=4 3433 B12R1.144 Cc1ccsc1[C@H](N)CC(=O)O Amb24485242 [0,2,0,0,0,0|2,0,0]=4 3434 B12R1.144 Cc1ccsc1[C@H](O)CC(=O)O Amb33202987 [0,2,0,0,0,0|2,0,0]=4 3435 B12R1.144 Cc1cocc1C(C)CC(=O)O Amb27873767 [0,2,0,0,0,0|2,0,0]=4 3436 B12R1.144 Cc1cocc1C(N)CC(=O)O Amb27219849 [0,2,0,0,0,0|2,0,0]=4 3437 B12R1.144 Cc1cscc1C(C)CC(=O)O Amb33147699 [0,2,0,0,0,0|2,0,0]=4 3438 B12R1.144 Cc1cscc1C(N)CC(=O)O Amb27752991 [0,2,0,0,0,0|2,0,0]=4 3439 B12R1.144 Cc1cscc1C(O)CC(=O)O Amb33146290 [0,2,0,0,0,0|2,0,0]=4 3440 B12R1.144 Cc1cscc1[C@@H](O)CC(=O)O Amb33226618 [0,2,0,0,0,0|2,0,0]=4 3441 B12R1.144 Cc1cscc1[C@H](O)CC(=O)O Amb33146297 [0,2,0,0,0,0|2,0,0]=4 3442 B12R1.144 Cc1ncoc1C(O)CC(=O)O Amb18198719 [0,2,0,0,0,0|1,0,1]=4 3443 B12R1.144 Cc1ncsc1C(C)CC(=O)O Amb29878198 [0,2,0,0,0,0|1,0,1]=4 3444 B12R1.144 Cc1ncsc1C(N)CC(=O)O Amb32787565 [0,2,0,0,0,0|1,0,1]=4 3445 B12R1.144 Cc1ncsc1C(O)CC(=O)O Amb18821629 [0,2,0,0,0,0|1,0,1]=4 3446 B12R1.144 Cc1ncsc1[C@@H](N)CC(=O)O Amb32787535 [0,2,0,0,0,0|1,0,1]=4 3447 B12R1.144 Cc1ncsc1[C@@H](O)CC(=O)O Amb33224177 [0,2,0,0,0,0|1,0,1]=4 3448 B12R1.144 Cc1ncsc1[C@H](N)CC(=O)O Amb33255470 [0,2,0,0,0,0|1,0,1]=4 3449 B12R1.144 Cc1ncsc1[C@H](O)CC(=O)O Amb32876031 [0,2,0,0,0,0|1,0,1]=4 3450 B12R1.144 Cc1occc1C(C)CC(=O)O Amb33473303 [0,2,0,0,0,0|2,0,0]=4 3451 B12R1.144 Cc1occc1C(N)CC(=O)O Amb24430103 [0,2,0,0,0,0|2,0,0]=4 3452 B12R1.144 Cc1occc1C(O)CC(=O)O Amb33275076 [0,2,0,0,0,0|2,0,0]=4 3453 B12R1.144 Cc1occc1[C@@H](N)CC(=O)O Amb26991358 [0,2,0,0,0,0|2,0,0]=4 3454 B12R1.144 Cc1occc1[C@@H](O)CC(=O)O Amb33275074 [0,2,0,0,0,0|2,0,0]=4 3455 B12R1.144 Cc1occc1[C@H](N)CC(=O)O Amb28044167 [0,2,0,0,0,0|2,0,0]=4 3456 B12R1.144 Cc1occc1[C@H](O)CC(=O)O Amb33275073 [0,2,0,0,0,0|2,0,0]=4 3457 B12R1.144 Cc1sccc1C(N)CC(=O)O Amb25845320 [0,2,0,0,0,0|2,0,0]=4 3458 B12R1.144 Cc1sccc1[C@@H](N)CC(=O)O Amb25693380 [0,2,0,0,0,0|2,0,0]=4 3459 B12R1.144 Cc1sccc1[C@H](N)CC(=O)O Amb25077564 [0,2,0,0,0,0|2,0,0]=4 3460 B12R1.144 Cc1scnc1C(O)CC(=O)O Amb18821630 [0,2,0,0,0,0|1,0,0]=3 3461 B12R1.144 Cn1cccc1C(N)CC(=O)O Amb2697572 [0,2,0,0,0,0|1,0,1]=4 3462 B12R1.144 Cn1cccc1C(O)CC(=O)O Amb26051227 [0,2,0,0,0,0|1,0,1]=4 3463 B12R1.144 Cn1cccc1[C@@H](O)CC(=O)O Amb33314752 [0,2,0,0,0,0|1,0,1]=4 3464 B12R1.144 Cn1cccc1[C@H](O)CC(=O)O Amb33314751 [0,2,0,0,0,0|1,0,1]=4 3465 B12R1.144 Cn1ccnc1C(N)CC(=O)O Amb28127992 [0,2,0,0,0,0|2,0,0]=4 3466 B12R1.144 Cn1ccnc1C(O)CC(=O)O Amb25910788 [0,2,0,0,0,0|2,0,0]=4 3467 B12R1.144 Cn1ccnc1[C@@H](N)CC(=O)O Amb27184723 [0,2,0,0,0,0|2,0,0]=4 3468 B12R1.144 Cn1ccnc1[C@@H](O)CC(=O)O Amb33372309 [0,2,0,0,0,0|2,0,0]=4 3469 B12R1.144 Cn1ccnc1[C@H](N)CC(=O)O Amb24582961 [0,2,0,0,0,0|2,0,0]=4 3470 B12R1.144 Cn1ccnc1[C@H](O)CC(=O)O Amb33427444 [0,2,0,0,0,0|2,0,0]=4 3471 B12R1.144 Cn1cncc1C(N)CC(=O)O Amb2697645 [0,2,0,0,0,0|0,0,2]=4 3472 B12R1.144 Cn1cncc1C(O)CC(=O)O Amb33450166 [0,2,0,0,0,0|0,0,2]=4 3473 B12R1.144 Cn1cncc1[C@@H](N)CC(=O)O Amb26982701 [0,2,0,0,0,0|0,0,2]=4 3474 B12R1.144 Cn1cncc1[C@@H](O)CC(=O)O Amb32877175 [0,2,0,0,0,0|0,0,2]=4 3475 B12R1.144 Cn1cncc1[C@H](N)CC(=O)O Amb27832366 [0,2,0,0,0,0|0,0,2]=4 3476 B12R1.144 Cn1cncc1[C@H](O)CC(=O)O Amb32877174 [0,2,0,0,0,0|0,0,2]=4 3477 B12R1.144 NC(CC(=O)O)c1ccoc1Cl Amb27417044 [0,2,0,0,0,0|2,0,0]=4 3478 B12R1.144 NC(CC(=O)O)c1ccsc1Br Amb24718518 [0,2,0,0,0,0|2,0,0]=4 3479 B12R1.144 NC(CC(=O)O)c1ccsc1Cl Amb26968417 [0,2,0,0,0,0|2,0,0]=4 3480 B12R1.144 NC(CC(=O)O)c1cocc1F Amb27763674 [0,2,0,0,0,0|2,0,0]=4 3481 B12R1.144 NC(CC(=O)O)c1cscc1Br Amb24399822 [0,2,0,0,0,0|2,0,0]=4 3482 B12R1.144 NC(CC(=O)O)c1cscc1F Amb28079030 [0,2,0,0,0,0|2,0,0]=4 3483 B12R1.144 NC(CC(=O)O)c1cscc1O Amb27651582 [0,2,0,0,0,0|2,0,0]=4 3484 B12R1.144 NC(CC(=O)O)c1occc1Br Amb24497684 [0,2,0,0,0,0|2,0,0]=4 3485 B12R1.144 NC(CC(=O)O)c1occc1Cl Amb27416758 [0,2,0,0,0,0|2,0,0]=4 3486 B12R1.144 NC(CC(=O)O)c1sccc1Br Amb24756538 [0,2,0,0,0,0|2,0,0]=4 3487 B12R1.144 NC(CC(=O)O)c1sccc1Cl Amb25104317 [0,2,0,0,0,0|2,0,0]=4 3488 B12R1.144 NC(CC(=O)O)c1sccc1F Amb27661076 [0,2,0,0,0,0|2,0,0]=4 3489 B12R1.144 NC(CC(=O)O)c1sccc1I Amb28119086 [0,2,0,0,0,0|2,0,0]=4 3490 B12R1.144 NC(CC(=O)O)c1scnc1Cl Amb33254243 [0,2,0,0,0,0|1,0,1]=4 3491 B12R1.144 N[C@@H](CC(=O)O)c1ccoc1Br Amb27205417 [0,2,0,0,0,0|2,0,0]=4 3492 B12R1.144 N[C@@H](CC(=O)O)c1ccsc1Br Amb27404996 [0,2,0,0,0,0|2,0,0]=4 3493 B12R1.144 N[C@@H](CC(=O)O)c1ccsc1Cl Amb27403694 [0,2,0,0,0,0|2,0,0]=4 3494 B12R1.144 N[C@@H](CC(=O)O)c1cscc1Br Amb24537703 [0,2,0,0,0,0|2,0,0]=4 3495 B12R1.144 N[C@@H](CC(=O)O)c1cscc1O Amb27945840 [0,2,0,0,0,0|2,0,0]=4 3496 B12R1.144 N[C@@H](CC(=O)O)c1occc1Br Amb25279920 [0,2,0,0,0,0|2,0,0]=4 3497 B12R1.144 N[C@@H](CC(=O)O)c1occc1F Amb28429762 [0,2,0,0,0,0|2,0,0]=4 3498 B12R1.144 N[C@@H](CC(=O)O)c1occc1O Amb27465182 [0,2,0,0,0,0|2,0,0]=4 3499 B12R1.144 N[C@@H](CC(=O)O)c1sccc1Br Amb25669659 [0,2,0,0,0,0|2,0,0]=4 3500 B12R1.144 N[C@@H](CC(=O)O)c1sccc1Cl Amb25856958 [0,2,0,0,0,0|2,0,0]=4 3501 B12R1.144 N[C@@H](CC(=O)O)c1scnc1Cl Amb33308344 [0,2,0,0,0,0|1,0,1]=4 3502 B12R1.144 N[C@H](CC(=O)O)c1ccoc1O Amb27968726 [0,2,0,0,0,0|2,0,0]=4 3503 B12R1.144 N[C@H](CC(=O)O)c1ccsc1Br Amb24397028 [0,2,0,0,0,0|2,0,0]=4 3504 B12R1.144 N[C@H](CC(=O)O)c1ccsc1Cl Amb26478765 [0,2,0,0,0,0|2,0,0]=4 3505 B12R1.144 N[C@H](CC(=O)O)c1cscc1Br Amb27393509 [0,2,0,0,0,0|2,0,0]=4 3506 B12R1.144 N[C@H](CC(=O)O)c1cscc1Cl Amb28044002 [0,2,0,0,0,0|2,0,0]=4 3507 B12R1.144 N[C@H](CC(=O)O)c1occc1Br Amb27169939 [0,2,0,0,0,0|2,0,0]=4 3508 B12R1.144 N[C@H](CC(=O)O)c1sccc1Br Amb28368371 [0,2,0,0,0,0|2,0,0]=4 3509 B12R1.144 N[C@H](CC(=O)O)c1sccc1Cl Amb25736398 [0,2,0,0,0,0|2,0,0]=4 3510 B12R1.144 N[C@H](CC(=O)O)c1sccc1I Amb27401059 [0,2,0,0,0,0|2,0,0]=4 3511 B12R1.144 N[C@H](CC(=O)O)c1scnc1Cl Amb33254022 [0,2,0,0,0,0|1,0,1]=4 3512 B12R1.144 Nc1ccoc1[C@H](N)CC(=O)O Amb28139904 [0,2,0,0,0,0|2,0,0]=4 3513 B12R1.144 O=C(O)CC(O)c1ccsc1Cl Amb35728539 [0,2,0,0,0,0|2,0,0]=4 3514 B12R1.144 O=C(O)CC(O)c1sccc1Br Amb33243032 [0,2,0,0,0,0|2,0,0]=4 3515 B12R1.144 O=C(O)CC(O)c1sccc1Cl Amb33263229 [0,2,0,0,0,0|2,0,0]=4 3516 B12R1.144 O=C(O)C[C@@H](O)c1sccc1Br Amb33387180 [0,2,0,0,0,0|2,0,0]=4 3517 B12R1.144 O=C(O)C[C@@H](O)c1sccc1Cl Amb33258822 [0,2,0,0,0,0|2,0,0]=4 3518 B12R1.144 O=C(O)C[C@H](O)c1sccc1Br Amb33387177 [0,2,0,0,0,0|2,0,0]=4 3519 B12R1.144 O=C(O)C[C@H](O)c1sccc1Cl Amb33258821 [0,2,0,0,0,0|2,0,0]=4 3520 B12R1.259 CC(C)(CC(=O)O)c1ccco1 Amb26648003 [0,2,0,0,0,0|2,0,0]=4 3521 B12R1.259 CC(C)(CC(=O)O)c1cccs1 Amb33534068 [0,2,0,0,0,0|2,0,0]=4 3522 B12R1.259 CC(C)(CC(=O)O)c1ccoc1 Amb25898700 [0,2,0,0,0,0|2,0,0]=4 3523 B12R1.259 CC(C)(CC(=O)O)c1ccon1 Amb33475342 [0,2,0,0,0,0|2,0,0]=4 3524 B12R1.259 CC(C)(CC(=O)O)c1cnco1 Amb33415252 [0,2,0,0,0,0|1,0,1]=4 3525 B12R1.259 CC(C)(CC(=O)O)c1cncs1 Amb29878205 [0,2,0,0,0,0|1,0,1]=4 3526 B12R1.259 CC(C)(CC(=O)O)c1cscn1 Amb25718238 [0,2,0,0,0,0|1,0,0]=3 3527 B12R1.259 CC(C)(CC(=O)O)c1csnn1 Amb33321918 [0,2,0,0,0,0|2,0,0]=4 3528 B12R1.259 CC(C)(CC(=O)O)c1nccs1 Amb27242617 [0,2,0,0,0,0|2,0,0]=4 3529 B12R1.259 CC(C)(CC(=O)O)n1cccn1 Amb26987978 [0,2,0,0,0,0|2,0,0]=4 3530 B12R1.259 CC(C)(CC(=O)O)n1cncn1 Amb28246045 [0,2,0,0,0,0|1,0,1]=4 3531 B12R1.259 CC(F)(CC(=O)O)c1cccs1 Amb27441978 [0,2,0,0,0,0|2,0,0]=4 3532 B12R1.259 CC(N)(CC(=O)O)c1ccco1 Amb27630040 [0,2,0,0,0,0|2,0,0]=4 3533 B12R1.259 CC(N)(CC(=O)O)c1cccs1 Amb17470679 [0,2,0,0,0,0|2,0,0]=4 3534 B12R1.259 CC(N)(CC(=O)O)c1ccsc1 Amb28066551 [0,2,0,0,0,0|2,0,0]=4 3535 B12R1.259 CC(N)(CC(=O)O)c1nccs1 Amb26615101 [0,2,0,0,0,0|2,0,0]=4 3536 B12R1.259 CC(O)(CC(=O)O)c1ccco1 Amb18825805 [0,2,0,0,0,0|2,0,0]=4 3537 B12R1.259 CC(O)(CC(=O)O)c1cccs1 Amb17139130 [0,2,0,0,0,0|2,0,0]=4 3538 B12R1.259 CC(O)(CC(=O)O)c1cncs1 Amb18821624 [0,2,0,0,0,0|1,0,1]=4 3539 B12R1.259 CC(O)(CC(=O)O)c1cscn1 Amb18821625 [0,2,0,0,0,0|1,0,0]=3 3540 B12R1.259 CC(O)(CC(=O)O)c1ncns1 Amb18821131 [0,2,0,0,0,0|1,0,1]=4 3541 B12R1.259 C[C@](N)(CC(=O)O)c1ccoc1 Amb27596127 [0,2,0,0,0,0|2,0,0]=4 3542 B12R1.259 O=C(O)CC(F)(F)c1ccco1 Amb33337495 [0,2,0,0,0,0|2,0,0]=4 3543 B12R1.259 O=C(O)CC(F)(F)c1cccs1 Amb33337504 [0,2,0,0,0,0|2,0,0]=4 3544 B12R1.259 O=C(O)CC(F)(F)c1ccoc1 Amb33337525 [0,2,0,0,0,0|2,0,0]=4 3545 B12R1.259 O=C(O)CC(F)(F)c1ccon1 Amb33010126 [0,2,0,0,0,0|2,0,0]=4 3546 B12R1.259 O=C(O)CC(F)(F)c1ccsc1 Amb33337751 [0,2,0,0,0,0|2,0,0]=4 3547 B12R1.259 O=C(O)CC(F)(F)c1cnco1 Amb33227025 [0,2,0,0,0,0|1,0,1]=4 3548 B12R1.259 O=C(O)CC(F)(F)c1cncs1 Amb33413372 [0,2,0,0,0,0|1,0,1]=4 3549 B12R1.259 O=C(O)CC(F)(F)c1cscn1 Amb32746094 [0,2,0,0,0,0|1,0,0]=3 3550 B12R1.259 O=C(O)CC(F)(F)c1csnn1 Amb32748267 [0,2,0,0,0,0|2,0,0]=4 3551 B12R1.259 O=C(O)CC(F)(F)c1ncco1 Amb32796204 [0,2,0,0,0,0|2,0,0]=4 3552 B12R1.259 O=C(O)CC(F)(F)c1nccs1 Amb32796205 [0,2,0,0,0,0|2,0,0]=4 3553 B12R1.476 CCC(CC(=O)O)c1cccs1 Amb5738638 [0,2,0,0,0,0|2,0,0]=4 3554 B12R1.476 N#CC(CC(=O)O)c1ccco1 Amb17400172 [0,2,0,0,0,0|2,0,0]=4 3555 B12R1.476 N#CC(CC(=O)O)c1cccs1 Amb17400870 [0,2,0,0,0,0|2,0,0]=4 3556 B12R1.476 NCC(CC(=O)O)c1ccco1 Amb17400304 [0,2,0,0,0,0|2,0,0]=4 3557 B12R1.476 NCC(CC(=O)O)c1cccs1 Amb17401058 [0,2,0,0,0,0|2,0,0]=4 3558 B12R1.476 NCC(CC(=O)O)c1ccoc1 Amb33172357 [0,2,0,0,0,0|2,0,0]=4 3559 B12R1.476 NCC(CC(=O)O)c1ccon1 Amb33198796 [0,2,0,0,0,0|2,0,0]=4 3560 B12R1.476 NCC(CC(=O)O)c1ccsc1 Amb33449939 [0,2,0,0,0,0|2,0,0]=4 3561 B12R1.476 NCC(CC(=O)O)c1cnco1 Amb33415760 [0,2,0,0,0,0|1,0,1]=4 3562 B12R1.476 NCC(CC(=O)O)c1cncs1 Amb33358474 [0,2,0,0,0,0|1,0,1]=4 3563 B12R1.476 NCC(CC(=O)O)c1cscn1 Amb33449786 [0,2,0,0,0,0|1,0,0]=3 3564 B12R1.476 NCC(CC(=O)O)c1csnn1 Amb32954255 [0,2,0,0,0,0|2,0,0]=4 3565 B12R1.476 NCC(CC(=O)O)c1nccs1 Amb33172367 [0,2,0,0,0,0|2,0,0]=4 3566 B12R1.81 CCc1ccsc1CCC(=O)O Amb33470244 [0,2,0,0,0,0|2,0,0]=4 3567 B12R1.81 CCc1ncoc1CCC(=O)O Amb18826168 [0,2,0,0,0,0|1,0,1]=4 3568 B12R1.81 CCc1nonc1CCC(=O)O Amb18825738 [0,2,0,0,0,0|1,0,1]=4 3569 B12R1.81 CCc1occc1CCC(=O)O Amb33470239 [0,2,0,0,0,0|2,0,0]=4 3570 B12R1.81 CCn1ccnc1CCC(=O)O Amb33474164 [0,2,0,0,0,0|2,0,0]=4 3571 B12R1.81 CCn1cncc1CCC(=O)O Amb33380478 [0,2,0,0,0,0|0,0,2]=4 3572 B12R1.81 CCn1ncnc1CCC(=O)O Amb19029002 [0,2,0,0,0,0|1,0,1]=4 3573 B12R1.81 COc1ccsc1CCC(=O)O Amb33470247 [0,2,0,0,0,0|2,0,0]=4 3574 B12R1.895 Cc1ccn(C)c1CCC(=O)O Amb18827222 [0,2,0,0,0,0|1,0,1]=4 3575 B12R1.895 Cc1csc(C)c1CCC(=O)O Amb32712025 [0,2,0,0,0,0|2,0,0]=4 3576 B12R1.895 Cn1cnc(Cl)c1CCC(=O)O Amb33056776 [0,2,0,0,0,0|0,0,2]=4 3577 B10R1.18 O=C(O)Cc1ccccn1 Amb2720201 [0,0,1,1,0,0|1,0,1]=4 3578 B10R1.18 O=C(O)Cc1ccccn1 Amb3940142 [0,0,1,1,0,0|1,0,1]=4 3579 B10R1.18 O=C(O)Cc1cccnc1 Amb2720203 [0,0,1,1,0,0|1,0,1]=4 3580 B10R1.18 O=C(O)Cc1cccnc1 Amb2720470 [0,0,1,1,0,0|1,0,1]=4 3581 B10R1.18 O=C(O)Cc1ccncn1 Amb8009416 [0,0,1,1,0,0|0,0,2]=4 3582 B10R1.18 O=C(O)Cc1cncnc1 Amb33539086 [0,0,1,1,0,0|0,0,2]=4 3583 B10R1.18 O=C(O)Cc1cncnc1 Amb8009418 [0,0,1,1,0,0|0,0,2]=4 3584 B10R1.61 C=C1CC=CCC1C(=O)O Amb28340885 [0,0,1,1,0,0|2,0,0]=4 3585 B10R1.348 O=C(O)C1C=CCC=CC1 Amb28126700 [0,0,1,1,0,0|2,0,0]=4 3586 B10R1.348 O=C(O)[C@@H]1C=CCC=CC1 Amb27412937 [0,0,1,1,0,0|2,0,0]=4 3587 B10R1.30 C=CC1OC(=O)CCC1=C Amb8389943 [0,0,1,1,0,0|2,0,0]=4 3588 B10R1.59 C=C1CC(N)C(C(=O)O)C1 Amb27779891 [0,0,1,1,0,0|1,0,1]=4 3589 B10R1.59 C=C1C[C@H](N)[C@@H](C(=O)O)C1 Amb10071928 [0,0,1,1,0,0|1,0,1]=4 3590 B10R1.59 C=C1C[C@H](N)[C@H](C(=O)O)C1 Amb17938168 [0,0,1,1,0,0|1,0,1]=4 3591 B10R2.32 O=C1CCc2ccoc21 Amb27246670 [1,0,0,1,0,0|2,0,0]=4 3592 B10R2.32 O=C1CCc2ccsc21 Amb18203008 [1,0,0,1,0,0|2,0,0]=4 3593 B10R2.32 O=C1CCc2cocc21 Amb28133170 [1,0,0,1,0,0|2,0,0]=4 3594 B10R2.32 O=C1CCc2cscc21 Amb18203009 [1,0,0,1,0,0|2,0,0]=4 3595 B10R2.32 O=C1CCc2nonc21 Amb18832930 [1,0,0,1,0,0|1,0,1]=4 3596 B10R2.32 O=C1CCc2occc21 Amb6740010 [1,0,0,1,0,0|2,0,0]=4 3597 B10R2.32 O=C1CCc2sccc21 Amb2232897 [1,0,0,1,0,0|2,0,0]=4 3598 B10R2.32 O=C1CCn2nccc21 Amb24079525 [1,0,0,1,0,0|2,0,0]=4 3599 B10R2.193 c1nc(CC2CO2)cs1 Amb25143297 [1,0,0,1,0,0|1,0,1]=4 3600 B12R2.22 O=C1CC(c2ccccn2)C1 Amb25891417 [0,0,0,1,0,1|2,0,0]=4 3601 B12R2.22 O=C1CC(c2cccnc2)C1 Amb25151161 [0,0,0,1,0,1|2,0,0]=4 3602 B12R2.22 O=C1CC(c2cnccn2)N1 Amb35601072 [0,0,0,1,0,1|1,0,1]=4 3603 B12R2.22 O=C1CC(c2cncnc2)N1 Amb25990121 [0,0,0,1,0,1|1,0,1]=4 3604 B12R2.24 O=C1CCc2ccccc2O1 Amb533490 [0,0,0,1,0,1|2,0,0]=4 3605 B12R2.24 O=C1CCc2cccnc2N1 Amb21960778 [0,0,0,1,0,1|2,0,0]=4 3606 B12R2.24 O=C1CCc2cnccc2N1 Amb22899719 [0,0,0,1,0,1|2,0,0]=4 3607 B12R2.24 O=C1CCc2cncnc2C1 Amb24554237 [0,0,0,1,0,1|1,0,1]=4 3608 B12R2.24 O=C1CCc2cncnc2N1 Amb27959197 [0,0,0,1,0,1|1,0,1]=4 3609 B12R2.24 O=C1CCc2cncnc2O1 Amb25685469 [0,0,0,1,0,1|0,0,1]=3 3610 B12R2.24 O=C1CCc2ncccc2C1 Amb7969886 [0,0,0,1,0,1|2,0,0]=4 3611 B12R2.24 O=C1CCc2ncccc2N1 Amb25095800 [0,0,0,1,0,1|2,0,0]=4 3612 B12R2.24 O=C1CCc2ncncc2C1 Amb22494044 [0,0,0,1,0,1|1,0,1]=4 3613 B12R2.3190 O=C(O)C1Cc2ccccc21 Amb4017188 [0,0,0,1,0,1|2,0,0]=4 3614 B12R2.6 O=C1CC(c2cscn2)CN1 Amb27470478 [0,0,0,1,0,1|2,0,0]=4 3615 B12R2.6 O=C1CCC(c2cccs2)O1 Amb17334721 [0,0,0,1,0,1|2,0,0]=4 3616 B12R2.6 O=C1COC(c2cscn2)C1 Amb35734195 [0,0,0,1,0,1|2,0,0]=4 3617 B12R2.6 O=C1NC(c2cscn2)CO1 Amb28388375 [0,0,0,1,0,1|2,0,0]=4 3618 B12R2.6 O=C1NCC(c2ccco2)O1 Amb17232113 [0,0,0,1,0,1|2,0,0]=4 3619 B12R2.6 O=C1NCC(c2cccs2)O1 Amb17232709 [0,0,0,1,0,1|2,0,0]=4 3620 B12R2.6 O=C1NCC(c2ccoc2)O1 Amb33360342 [0,0,0,1,0,1|2,0,0]=4 3621 B12R2.6 O=C1NCC(c2ccon2)O1 Amb33199338 [0,0,0,1,0,1|2,0,0]=4 3622 B12R2.6 O=C1NCC(c2ccsc2)O1 Amb24509768 [0,0,0,1,0,1|2,0,0]=4 3623 B12R2.6 O=C1NCC(c2cnco2)O1 Amb33319568 [0,0,0,1,0,1|1,0,1]=4 3624 B12R2.6 O=C1NCC(c2cncs2)O1 Amb33268054 [0,0,0,1,0,1|1,0,1]=4 3625 B12R2.6 O=C1NCC(c2cscn2)O1 Amb33226694 [0,0,0,1,0,1|1,0,0]=3 3626 B12R2.6 O=C1NCC(c2csnn2)O1 Amb33321069 [0,0,0,1,0,1|2,0,0]=4 3627 B12R2.6 O=C1NCC(c2nccs2)O1 Amb33197363 [0,0,0,1,0,1|2,0,0]=4 3628 B12R2.1354 O=C(O)C1CC1c2ccco2 Amb9765540 [0,0,0,1,0,1|2,0,0]=4 3629 B12R2.1354 O=C(O)C1CC1c2cccs2 Amb9765566 [0,0,0,1,0,1|2,0,0]=4 3630 B12R2.1354 O=C(O)C1CC1c2ccoc2 Amb25921432 [0,0,0,1,0,1|2,0,0]=4 3631 B12R2.1354 O=C(O)C1CC1c2ccon2 Amb33198782 [0,0,0,1,0,1|2,0,0]=4 3632 B12R2.1354 O=C(O)C1CC1c2ccsc2 Amb9677089 [0,0,0,1,0,1|2,0,0]=4 3633 B12R2.1354 O=C(O)C1CC1c2cnco2 Amb33415274 [0,0,0,1,0,1|1,0,1]=4 3634 B12R2.1354 O=C(O)C1CC1c2cncs2 Amb24488090 [0,0,0,1,0,1|1,0,1]=4 3635 B12R2.1354 O=C(O)C1CC1c2cocn2 Amb35750793 [0,0,0,1,0,1|1,0,0]=3 3636 B12R2.1354 O=C(O)C1CC1c2cscn2 Amb27250152 [0,0,0,1,0,1|1,0,0]=3 3637 B12R2.1354 O=C(O)C1CC1c2csnn2 Amb26868802 [0,0,0,1,0,1|2,0,0]=4 3638 B12R2.1354 O=C(O)C1CC1c2nccs2 Amb25721481 [0,0,0,1,0,1|2,0,0]=4 3639 B12R2.1354 O=C(O)[C@@H]1C[C@H]1c2ccco2 Amb26945410 [0,0,0,1,0,1|2,0,0]=4 3640 B12R2.1354 O=C(O)[C@@H]1C[C@H]1c2cccs2 Amb26075145 [0,0,0,1,0,1|2,0,0]=4 3641 B12R2.1354 O=C(O)[C@@H]1C[C@H]1c2ccoc2 Amb33361251 [0,0,0,1,0,1|2,0,0]=4 3642 B12R2.1354 O=C(O)[C@@H]1C[C@H]1c2ccon2 Amb33198771 [0,0,0,1,0,1|2,0,0]=4 3643 B12R2.1354 O=C(O)[C@@H]1C[C@H]1c2ccsc2 Amb28723392 [0,0,0,1,0,1|2,0,0]=4 3644 B12R2.1354 O=C(O)[C@@H]1C[C@H]1c2cnco2 Amb33415265 [0,0,0,1,0,1|1,0,1]=4 3645 B12R2.1354 O=C(O)[C@@H]1C[C@H]1c2cncs2 Amb33269824 [0,0,0,1,0,1|1,0,1]=4 3646 B12R2.1354 O=C(O)[C@@H]1C[C@H]1c2cscn2 Amb33319110 [0,0,0,1,0,1|1,0,0]=3 3647 B12R2.1354 O=C(O)[C@@H]1C[C@H]1c2csnn2 Amb33321931 [0,0,0,1,0,1|2,0,0]=4 3648 B12R2.1354 O=C(O)[C@@H]1C[C@H]1c2nccs2 Amb33311574 [0,0,0,1,0,1|2,0,0]=4 3649 B12R2.1354 O=C(O)[C@H]1C[C@@H]1c2ccco2 Amb27780939 [0,0,0,1,0,1|2,0,0]=4 3650 B12R2.1362 O=C(O)C1CCc2ccsc21 Amb28076697 [0,0,0,1,0,1|2,0,0]=4 3651 B12R2.1362 O=C(O)C1CCc2cncn21 Amb18201410 [0,0,0,1,0,1|0,0,2]=4 3652 B12R2.1362 O=C(O)C1CCc2nccn21 Amb18201472 [0,0,0,1,0,1|2,0,0]=4 3653 B12R2.1362 O=C(O)C1CCc2nonc21 Amb18200857 [0,0,0,1,0,1|1,0,1]=4 3654 B12R2.1362 O=C(O)C1CCc2ocnc21 Amb27797486 [0,0,0,1,0,1|1,0,1]=4 3655 B12R2.1362 O=C(O)C1CCc2sccc21 Amb27607698 [0,0,0,1,0,1|2,0,0]=4 3656 B12R2.1362 O=C(O)[C@H]1CCc2scnc21 Amb27955903 [0,0,0,1,0,1|1,0,1]=4 3657 B12R2.252 O=C(O)C1CC2N=CNC2C1 Amb18831028 [0,1,0,1,0,0|0,0,2]=4 3658 B12R2.252 O=C(O)C1Cc2ccnn2C1 Amb18201417 [0,1,0,1,0,0|2,0,0]=4 3659 B12R2.252 O=C(O)C1Cc2ccsc2C1 Amb10603806 [0,1,0,1,0,0|2,0,0]=4 3660 B12R2.252 O=C(O)C1Cc2cncn2C1 Amb18201412 [0,1,0,1,0,0|0,0,2]=4 3661 B12R2.252 O=C(O)C1Cc2cscc2C1 Amb24365365 [0,1,0,1,0,0|2,0,0]=4 3662 B12R2.252 O=C(O)C1Cc2nccn2C1 Amb18201435 [0,1,0,1,0,0|2,0,0]=4 3663 B12R2.252 O=C(O)C1Cc2nccn2C1 Amb31029005 [0,1,0,1,0,0|2,0,0]=4 3664 B12R2.252 O=C(O)C1Cc2sccc2N1 Amb27174646 [0,1,0,1,0,0|2,0,0]=4 3665 B12R2.76 Cn1cnc(C2CC(=O)N2)c1 Amb27840091 [0,1,0,1,0,0|1,0,0]=3 3666 B12R2.132 Cn1cnc2c1CC(=O)OC2 Amb32410279 [0,1,0,1,0,0|2,0,0]=4 3667 B12R2.606 Nc1nc2c(s1)CC(=O)CC2 Amb18126527 [0,1,0,1,0,0|2,0,0]=4 3668 B12R2.606 O=C1CCc2nc(Br)sc2C1 Amb27795012 [0,1,0,1,0,0|2,0,0]=4 3669 B12R2.606 O=C1CCc2nc(Cl)sc2C1 Amb24065502 [0,1,0,1,0,0|2,0,0]=4 3670 B8R1.10 O=CCCC1=CCC1 Amb28130448 [1,0,0,0,1,0|1,0,1]=4 3671 B8R1.7 CC(=O)c1cocn1 Amb18833111 [0,0,0,0,2,0|2,0,0]=4 3672 B8R1.7 CC(=O)c1cscn1 Amb33543399 [0,0,0,0,2,0|2,0,0]=4 3673 B8R1.7 N=C(O)c1cocn1 Amb21928044 [0,0,0,0,2,0|2,0,0]=4 3674 B8R1.7 NC(=O)c1cocn1 Amb21857139 [0,0,0,0,2,0|2,0,0]=4 3675 B8R1.7 NC(=O)c1cscn1 Amb8631050 [0,0,0,0,2,0|2,0,0]=4 3676 B8R1.7 O=C(Cl)c1cocn1 Amb23440854 [0,0,0,0,2,0|2,0,0]=4 3677 B8R1.7 O=C(Cl)c1cscn1 Amb8631052 [0,0,0,0,2,0|2,0,0]=4 3678 B8R1.7 O=C(O)C1=CN=S=N1 Amb17798585 [0,0,0,0,2,0|1,0,1]=4 3679 B8R1.7 O=C(O)c1ccc[se]1 Amb2611630 [0,0,0,0,2,0|2,0,0]=4 3680 B8R1.7 O=C(O)c1ccco1 Amb6335264 [0,0,0,0,2,0|2,0,0]=4 3681 B8R1.7 O=C(O)c1cccs1 Amb2690602 [0,0,0,0,2,0|2,0,0]=4 3682 B8R1.7 O=C(O)c1ccoc1 Amb2720344 [0,0,0,0,2,0|2,0,0]=4 3683 B8R1.7 O=C(O)c1ccon1 Amb8386353 [0,0,0,0,2,0|2,0,0]=4 3684 B8R1.7 O=C(O)c1ccsc1 Amb1156673 [0,0,0,0,2,0|2,0,0]=4 3685 B8R1.7 O=C(O)c1ccsn1 Amb19894963 [0,0,0,0,2,0|2,0,0]=4 3686 B8R1.7 O=C(O)c1cnco1 Amb1158212 [0,0,0,0,2,0|1,0,1]=4 3687 B8R1.7 O=C(O)c1cncs1 Amb1158214 [0,0,0,0,2,0|1,0,1]=4 3688 B8R1.7 O=C(O)c1cnon1 Amb6316077 [0,0,0,0,2,0|1,0,1]=4 3689 B8R1.7 O=C(O)c1cnsn1 Amb1091970 [0,0,0,0,2,0|1,0,1]=4 3690 B8R1.7 O=C(O)c1cocn1 Amb10071584 [0,0,0,0,2,0|1,0,0]=3 3691 B8R1.7 O=C(O)c1conn1 Amb28286788 [0,0,0,0,2,0|2,0,0]=4 3692 B8R1.7 O=C(O)c1cscn1 Amb17039667 [0,0,0,0,2,0|1,0,0]=3 3693 B8R1.7 O=C(O)c1cscn1 Amb2455731 [0,0,0,0,2,0|1,0,0]=3 3694 B8R1.7 O=C(O)c1csnn1 Amb535501 [0,0,0,0,2,0|2,0,0]=4 3695 B8R1.7 O=C(O)c1ncco1 Amb8009395 [0,0,0,0,2,0|2,0,0]=4 3696 B8R1.7 O=C(O)c1nccs1 Amb6572012 [0,0,0,0,2,0|2,0,0]=4 3697 B8R1.7 O=C(O)c1ncno1 Amb8009397 [0,0,0,0,2,0|1,0,1]=4 3698 B8R1.7 O=C(O)c1ncns1 Amb18203206 [0,0,0,0,2,0|1,0,1]=4 3699 B8R1.7 O=C(O)c1ncon1 Amb8009396 [0,0,0,0,2,0|2,0,0]=4 3700 B8R1.7 O=C([O-])c1cscn1 Amb13951445 [0,0,0,0,2,0|1,0,1]=4 3701 B8R1.35 O=C(O)CCC1=CC1 Amb28364765 [0,0,0,0,2,0|0,0,1]=3 3702 B10R1.17 C=CCCc1ccccn1 Amb25337662 [1,0,0,0,0,1|2,0,0]=4 3703 B10R1.17 C=CCCc1cccnc1 Amb24477186 [1,0,0,0,0,1|2,0,0]=4 3704 B10R1.17 C=CCCc1cnccn1 Amb28049385 [1,0,0,0,0,1|1,0,1]=4 3705 B10R1.17 C=CCCc1cncnc1 Amb35715623 [1,0,0,0,0,1|1,0,1]=4 3706 B10R1.17 O=CCCc1ccccc1 Amb2720576 [1,0,0,0,0,1|2,0,0]=4 3707 B10R1.17 O=CCCc1ccccn1 Amb17081674 [1,0,0,0,0,1|1,0,0]=3 3708 B10R1.17 O=CCCc1cccnc1 Amb17081675 [1,0,0,0,0,1|1,0,0]=3 3709 B10R1.17 O=CCCc1ccncc1 Amb8388451 [1,0,0,0,0,1|1,0,1]=4 3710 B10R1.17 O=CCCc1ccncn1 Amb26958514 [1,0,0,0,0,1|0,0,1]=3 3711 B10R1.17 O=CCCc1cnccn1 Amb25876683 [1,0,0,0,0,1|0,0,1]=3 3712 B10R1.17 O=CCCc1cncnc1 Amb24657168 [1,0,0,0,0,1|0,0,1]=3 3713 B10R1.17 O=CCCc1ncccn1 Amb24056162 [1,0,0,0,0,1|1,0,0]=3 3714 B10R1.17 O=CCOc1ccccn1 Amb27823582 [1,0,0,0,0,1|2,0,0]=4 3715 B10R1.17 O=CNCc1ccccn1 Amb22370826 [1,0,0,0,0,1|2,0,0]=4 3716 B10R1.17 O=CNCc1cccnc1 Amb2694543 [1,0,0,0,0,1|2,0,0]=4 3717 B10R1.17 O=CNCc1ncccn1 Amb27638889 [1,0,0,0,0,1|2,0,0]=4 3718 B10R1.17 OCCCc1ccccn1 Amb22749323 [1,0,0,0,0,1|1,0,1]=4 3719 B10R1.17 OCCCc1ccccn1 Amb3939333 [1,0,0,0,0,1|1,0,1]=4 3720 B10R1.17 OCCCc1cccnc1 Amb2694598 [1,0,0,0,0,1|1,0,1]=4 3721 B10R1.17 OCCCc1cccnc1 Amb33623848 [1,0,0,0,0,1|1,0,1]=4 3722 B10R1.17 OCCCc1cccnn1 Amb27208115 [1,0,0,0,0,1|1,0,1]=4 3723 B10R1.17 OCCCc1ccncn1 Amb24099660 [1,0,0,0,0,1|0,0,2]=4 3724 B10R1.17 OCCCc1cnccn1 Amb22499266 [1,0,0,0,0,1|0,0,2]=4 3725 B10R1.17 OCCCc1cncnc1 Amb24063145 [1,0,0,0,0,1|0,0,2]=4 3726 B10R1.17 OCCCc1ncccn1 Amb22499265 [1,0,0,0,0,1|1,0,1]=4 3727 B12R1.252 CC(=O)CCCc1ccccn1 Amb1102603 [0,0,0,0,0,2|2,0,0]=4 3728 B12R1.252 CC(=O)CCCc1cccnc1 Amb17232426 [0,0,0,0,0,2|2,0,0]=4 3729 B12R1.252 CC(=O)NCCc1cnccn1 Amb25277212 [0,0,0,0,0,2|1,0,1]=4 3730 B12R1.252 CC(=O)OCCc1ccccn1 Amb8391177 [0,0,0,0,0,2|2,0,0]=4 3731 B12R1.252 NC(=O)CNCc1ccccn1 Amb6661065 [0,0,0,0,0,2|2,0,0]=4 3732 B12R1.252 NC(=O)CNCc1cccnc1 Amb1113716 [0,0,0,0,0,2|2,0,0]=4 3733 B12R1.252 NC(=O)CNCc1cccnc1 Amb33545533 [0,0,0,0,0,2|2,0,0]=4 3734 B12R1.252 NC(=O)NCCc1ccccn1 Amb6274566 [0,0,0,0,0,2|2,0,0]=4 3735 B12R1.252 NC(=O)NCCc1cccnc1 Amb19515015 [0,0,0,0,0,2|2,0,0]=4 3736 B12R1.252 NC(=O)NCCc1cnccn1 Amb28045477 [0,0,0,0,0,2|1,0,1]=4 3737 B12R1.252 O=C(Cl)NCCc1ccccn1 Amb35637082 [0,0,0,0,0,2|2,0,0]=4 3738 B12R1.252 O=C(Cl)NCCc1cccnc1 Amb35625524 [0,0,0,0,0,2|2,0,0]=4 3739 B12R1.252 O=C(Cl)OCCc1ccccn1 Amb33297001 [0,0,0,0,0,2|2,0,0]=4 3740 B12R1.252 O=C(Cl)OCCc1cccnc1 Amb33297282 [0,0,0,0,0,2|2,0,0]=4 3741 B12R1.252 O=C(Cl)OCCc1cnccn1 Amb33297047 [0,0,0,0,0,2|1,0,1]=4 3742 B12R1.252 O=C(O)CC#Cc1ccccn1 Amb27222218 [0,0,0,0,0,2|1,0,1]=4 3743 B12R1.252 O=C(O)CC#Cc1cccnc1 Amb25159668 [0,0,0,0,0,2|1,0,1]=4 3744 B12R1.252 O=C(O)CCCC1=CCC=CC1 Amb6295892 [0,0,0,0,0,2|2,0,0]=4 3745 B12R1.252 O=C(O)CCCc1ccccc1 Amb2388283 [0,0,0,0,0,2|2,0,0]=4 3746 B12R1.252 O=C(O)CCCc1ccccn1 Amb1099328 [0,0,0,0,0,2|1,0,0]=3 3747 B12R1.252 O=C(O)CCCc1ccccn1 Amb19356883 [0,0,0,0,0,2|1,0,0]=3 3748 B12R1.252 O=C(O)CCCc1cccnc1 Amb17232526 [0,0,0,0,0,2|1,0,0]=3 3749 B12R1.252 O=C(O)CCCc1cccnc1 Amb33529414 [0,0,0,0,0,2|1,0,0]=3 3750 B12R1.252 O=C(O)CCCc1cccnc1 Amb33541549 [0,0,0,0,0,2|1,0,0]=3 3751 B12R1.252 O=C(O)CCCc1ccncc1 Amb1099336 [0,0,0,0,0,2|1,0,1]=4 3752 B12R1.252 O=C(O)CCCc1ccncc1 Amb19929548 [0,0,0,0,0,2|1,0,1]=4 3753 B12R1.252 O=C(O)CCCc1ccncn1 Amb33172094 [0,0,0,0,0,2|0,0,1]=3 3754 B12R1.252 O=C(O)CCCc1cncnc1 Amb18827885 [0,0,0,0,0,2|0,0,1]=3 3755 B12R1.252 O=C(O)CCCc1ncccn1 Amb18862661 [0,0,0,0,0,2|1,0,0]=3 3756 B12R1.252 O=C(O)CCCc1nccnn1 Amb18862703 [0,0,0,0,0,2|1,0,1]=4 3757 B12R1.252 O=C(O)CCCc1ncncn1 Amb18862704 [0,0,0,0,0,2|0,0,1]=3 3758 B12R1.252 O=C(O)CCNc1ccccc1 Amb1207377 [0,0,0,0,0,2|2,0,0]=4 3759 B12R1.252 O=C(O)CCNc1ccccn1 Amb10609119 [0,0,0,0,0,2|1,0,0]=3 3760 B12R1.252 O=C(O)CCNc1ccccn1 Amb6258091 [0,0,0,0,0,2|1,0,0]=3 3761 B12R1.252 O=C(O)CCNc1cccnc1 Amb18269696 [0,0,0,0,0,2|1,0,0]=3 3762 B12R1.252 O=C(O)CCNc1ccncc1 Amb33456130 [0,0,0,0,0,2|1,0,1]=4 3763 B12R1.252 O=C(O)CCNc1ccncc1 Amb6280380 [0,0,0,0,0,2|1,0,1]=4 3764 B12R1.252 O=C(O)CCNc1ccncn1 Amb19011486 [0,0,0,0,0,2|0,0,1]=3 3765 B12R1.252 O=C(O)CCNc1cncnc1 Amb18933238 [0,0,0,0,0,2|0,0,1]=3 3766 B12R1.252 O=C(O)CCNc1ncccn1 Amb33526612 [0,0,0,0,0,2|1,0,0]=3 3767 B12R1.252 O=C(O)CCOc1ccccc1 Amb1206804 [0,0,0,0,0,2|2,0,0]=4 3768 B12R1.252 O=C(O)CCOc1cccnc1 Amb33527345 [0,0,0,0,0,2|1,0,0]=3 3769 B12R1.252 O=C(O)CCSc1ccccc1 Amb1036581 [0,0,0,0,0,2|2,0,0]=4 3770 B12R1.252 O=C(O)CCSc1ccccn1 Amb1133894 [0,0,0,0,0,2|1,0,0]=3 3771 B12R1.252 O=C(O)CCSc1ncccn1 Amb6258426 [0,0,0,0,0,2|1,0,0]=3 3772 B12R1.252 O=C(O)CNCc1ccccc1 Amb2720113 [0,0,0,0,0,2|2,0,0]=4 3773 B12R1.252 O=C(O)CNCc1ccccc1 Amb6357824 [0,0,0,0,0,2|2,0,0]=4 3774 B12R1.252 O=C(O)CNCc1ccccn1 Amb1111426 [0,0,0,0,0,2|1,0,0]=3 3775 B12R1.252 O=C(O)CNCc1ccccn1 Amb13951702 [0,0,0,0,0,2|1,0,0]=3 3776 B12R1.252 O=C(O)CNCc1cccnc1 Amb1111197 [0,0,0,0,0,2|1,0,0]=3 3777 B12R1.252 O=C(O)CNCc1cccnc1 Amb6893093 [0,0,0,0,0,2|1,0,0]=3 3778 B12R1.252 O=C(O)CNCc1ccncc1 Amb1110916 [0,0,0,0,0,2|1,0,1]=4 3779 B12R1.252 O=C(O)CNCc1ccncc1 Amb32729434 [0,0,0,0,0,2|1,0,1]=4 3780 B12R1.252 O=C(O)CNCc1cnccn1 Amb19030033 [0,0,0,0,0,2|0,0,1]=3 3781 B12R1.252 O=C(O)COCc1ccccc1 Amb3939856 [0,0,0,0,0,2|2,0,0]=4 3782 B12R1.252 O=C(O)COCc1ccccn1 Amb32680346 [0,0,0,0,0,2|1,0,0]=3 3783 B12R1.252 O=C(O)COCc1ccccn1 Amb33548165 [0,0,0,0,0,2|1,0,0]=3 3784 B12R1.252 O=C(O)COCc1cccnc1 Amb28653073 [0,0,0,0,0,2|1,0,0]=3 3785 B12R1.252 O=C(O)COCc1ccncc1 Amb13883046 [0,0,0,0,0,2|1,0,1]=4 3786 B12R1.252 O=C(O)COCc1ccncc1 Amb8010071 [0,0,0,0,0,2|1,0,1]=4 3787 B12R1.252 O=C(O)CONc1ncccn1 Amb28205626 [0,0,0,0,0,2|2,0,0]=4 3788 B12R1.252 O=C(O)CSCc1ccccc1 Amb6357378 [0,0,0,0,0,2|2,0,0]=4 3789 B12R1.252 O=C(O)CSCc1ccccn1 Amb1126746 [0,0,0,0,0,2|1,0,0]=3 3790 B12R1.252 O=C(O)CSCc1cccnc1 Amb1129471 [0,0,0,0,0,2|1,0,0]=3 3791 B12R1.252 O=C(O)CSCc1ccncc1 Amb1134758 [0,0,0,0,0,2|1,0,1]=4 3792 B12R1.252 O=C(O)C[NH2+]Cc1ccccc1 Amb24113880 [0,0,0,0,0,2|2,0,0]=4 3793 B12R1.252 O=C(O)C[NH2+]Cc1ccccc1 Amb6366026 [0,0,0,0,0,2|2,0,0]=4 3794 B12R1.252 O=C(O)C\C=C\c1ccccn1 Amb25073201 [0,0,0,0,0,2|1,0,1]=4 3795 B12R1.252 O=C(O)C\C=C\c1cccnc1 Amb26478515 [0,0,0,0,0,2|1,0,1]=4 3796 B12R1.252 O=C(O)C\N=C/c1cccnc1 Amb27232669 [0,0,0,0,0,2|1,0,1]=4 3797 B12R1.252 O=C(O)C\N=C\c1cccnc1 Amb28077098 [0,0,0,0,0,2|1,0,1]=4 3798 B12R1.252 O=C(O)\C=C\Cc1cccnc1 Amb25849857 [0,0,0,0,0,2|1,0,1]=4 3799 B12R1.1343 O=C(O)CCC1=CCCCC=C1 Amb27232912 [0,0,0,0,0,2|2,0,0]=4 3800 B12R1.255 O=C(O)C#CCCc1ccco1 Amb27664517 [0,0,0,0,0,2|2,0,0]=4 3801 B12R1.255 O=C(O)CCCCc1ccco1 Amb18646922 [0,0,0,0,0,2|2,0,0]=4 3802 B12R1.255 O=C(O)CCCCc1cccs1 Amb6341870 [0,0,0,0,0,2|2,0,0]=4 3803 B12R1.255 O=C(O)CCCCc1ccsc1 Amb6300536 [0,0,0,0,0,2|2,0,0]=4 3804 B12R1.255 O=C(O)CCCCn1cccn1 Amb7782891 [0,0,0,0,0,2|2,0,0]=4 3805 B12R1.255 O=C(O)CCCCn1cncn1 Amb7782893 [0,0,0,0,0,2|1,0,1]=4 3806 B12R1.255 O=C(O)CCNCc1ccco1 Amb2592334 [0,0,0,0,0,2|2,0,0]=4 3807 B12R1.255 O=C(O)CCNCc1cccs1 Amb8830805 [0,0,0,0,0,2|2,0,0]=4 3808 B12R1.255 O=C(O)CCNCc1ccsc1 Amb8833842 [0,0,0,0,0,2|2,0,0]=4 3809 B12R1.255 O=C(O)CCNCc1nccs1 Amb19648826 [0,0,0,0,0,2|2,0,0]=4 3810 B12R1.255 O=C(O)CCSCc1ccco1 Amb6760941 [0,0,0,0,0,2|2,0,0]=4 3811 B12R1.255 O=C(O)CC\C=C\c1cccs1 Amb17233930 [0,0,0,0,0,2|2,0,0]=4 3812 B12R1.255 O=C(O)CNCCc1cccs1 Amb19342003 [0,0,0,0,0,2|2,0,0]=4 3813 B12R1.255 O=C(O)CNCCc1cccs1 Amb7764619 [0,0,0,0,0,2|2,0,0]=4 3814 B12R1.255 O=C(O)CNCCc1nccs1 Amb17315482 [0,0,0,0,0,2|2,0,0]=4 3815 B12R1.255 O=C(O)COCCc1cccs1 Amb17470682 [0,0,0,0,0,2|2,0,0]=4 3816 B12R1.255 O=C(O)COCCc1ccsc1 Amb33225783 [0,0,0,0,0,2|2,0,0]=4 3817 B12R1.255 O=C(O)COCCn1cccn1 Amb33474152 [0,0,0,0,0,2|2,0,0]=4 3818 B12R1.255 O=C(O)COCCn1cncn1 Amb18647467 [0,0,0,0,0,2|1,0,1]=4 3819 B12R1.255 O=C(O)\C=C\CCc1ccco1 Amb33470069 [0,0,0,0,0,2|2,0,0]=4 3820 B12R1.255 O=C(O)\C=C\CCc1ccsc1 Amb33322002 [0,0,0,0,0,2|2,0,0]=4 3821 B12R1.255 O=C(O)\C=C\CCn1cccn1 Amb32727124 [0,0,0,0,0,2|2,0,0]=4 3822 B12R1.255 O=C(O)\C=C\CCn1cncn1 Amb32725299 [0,0,0,0,0,2|1,0,1]=4