0 B12R2.252 CC(=O)c1cc2c(s1)CCS2 Amb18822705 [0,0,0,0,0,0|3,0,1]=4 1 B12R2.252 CC(=O)c1cc2ccsc2s1 Amb18823587 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.252 CC(=O)c1cc2csnc2o1 Amb18199512 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.252 CC(=O)c1cc2csnc2s1 Amb18823210 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.252 CC(=O)c1cc2sccc2s1 Amb18823588 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.252 CC(=O)c1cn2ccnc2s1 Amb25891527 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.252 NC(=O)c1cc2sccc2s1 Amb2766639 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.252 NC(=O)c1cn2ccnc2s1 Amb24485322 [0,0,0,0,0,0|4,0,0]=4 8 B12R2.252 O=C(Cl)c1cc2sccc2s1 Amb27823359 [0,0,0,0,0,0|3,0,0]=3 9 B12R2.252 O=C(O)C1=CC2=C(CCC2)C1 Amb25743353 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.252 O=C(O)C1=CC2=CCSC2=C1 Amb27231717 [0,0,0,0,0,0|2,0,1]=3 11 B12R2.252 O=C(O)C1Cc2ccsc2C1 Amb10603806 [0,0,0,0,0,0|2,0,2]=4 12 B12R2.252 O=C(O)C1Cc2sccc2N1 Amb27174646 [0,0,0,0,0,0|1,0,2]=3 13 B12R2.252 O=C(O)c1cc2c(o1)CCC2 Amb18685124 [0,0,0,0,0,0|3,0,1]=4 14 B12R2.252 O=C(O)c1cc2c(o1)CCN2 Amb18201183 [0,0,0,0,0,0|3,0,1]=4 15 B12R2.252 O=C(O)c1cc2c(o1)CNC2 Amb18201182 [0,0,0,0,0,0|4,0,0]=4 16 B12R2.252 O=C(O)c1cc2c(s1)CC=[SH]2 Amb27823330 [0,0,0,0,0,0|2,0,1]=3 17 B12R2.252 O=C(O)c1cc2c(s1)CCC2 Amb1106543 [0,0,0,0,0,0|3,0,1]=4 18 B12R2.252 O=C(O)c1cc2c(s1)CCN2 Amb18199099 [0,0,0,0,0,0|3,0,1]=4 19 B12R2.252 O=C(O)c1cc2c(s1)CCO2 Amb18198939 [0,0,0,0,0,0|2,1,1]=4 20 B12R2.252 O=C(O)c1cc2c(s1)CCS2 Amb18822007 [0,0,0,0,0,0|2,0,1]=3 21 B12R2.252 O=C(O)c1cc2c(s1)CNC2 Amb18199094 [0,0,0,0,0,0|4,0,0]=4 22 B12R2.252 O=C(O)c1cc2c(s1)CSC2 Amb21864734 [0,0,0,0,0,0|4,0,0]=4 23 B12R2.252 O=C(O)c1cc2c(s1)NCC2 Amb18199093 [0,0,0,0,0,0|2,0,2]=4 24 B12R2.252 O=C(O)c1cc2ccnc2n1 Amb26906005 [0,0,0,0,0,0|1,0,1]=2 25 B12R2.252 O=C(O)c1cc2ccoc2s1 Amb8010415 [0,0,0,0,0,0|3,0,0]=3 26 B12R2.252 O=C(O)c1cc2ccsc2s1 Amb2725725 [0,0,0,0,0,0|3,0,0]=3 27 B12R2.252 O=C(O)c1cc2cnoc2s1 Amb18199126 [0,0,0,0,0,0|4,0,0]=4 28 B12R2.252 O=C(O)c1cc2cnsc2o1 Amb18145510 [0,0,0,0,0,0|4,0,0]=4 29 B12R2.252 O=C(O)c1cc2cscc2s1 Amb25698283 [0,0,0,0,0,0|4,0,0]=4 30 B12R2.252 O=C(O)c1cc2n(n1)CCS2 Amb24330810 [0,0,0,0,0,0|2,0,2]=4 31 B12R2.252 O=C(O)c1cc2ncnc2n1 Amb18201805 [0,0,0,0,0,0|1,0,1]=2 32 B12R2.252 O=C(O)c1cc2nncc2n1 Amb18201800 [0,0,0,0,0,0|3,0,1]=4 33 B12R2.252 O=C(O)c1cc2nnsc2s1 Amb18191227 [0,0,0,0,0,0|3,0,0]=3 34 B12R2.252 O=C(O)c1cc2occc2s1 Amb19374510 [0,0,0,0,0,0|2,1,0]=3 35 B12R2.252 O=C(O)c1cc2occn2n1 Amb27642699 [0,0,0,0,0,0|2,1,1]=4 36 B12R2.252 O=C(O)c1cc2sccc2[se]1 Amb2611537 [0,0,0,0,0,0|2,0,0]=2 37 B12R2.252 O=C(O)c1cc2sccc2o1 Amb18143673 [0,0,0,0,0,0|2,0,0]=2 38 B12R2.252 O=C(O)c1cc2sccc2s1 Amb2234728 [0,0,0,0,0,0|2,0,0]=2 39 B12R2.252 O=C(O)c1cc2sccn2c1 Amb27860139 [0,0,0,0,0,0|3,0,0]=3 40 B12R2.252 O=C(O)c1cc2sccn2n1 Amb33456954 [0,0,0,0,0,0|2,0,1]=3 41 B12R2.252 O=C(O)c1cn2ccnc2s1 Amb22001489 [0,0,0,0,0,0|3,0,0]=3 42 B12R2.252 O=C(O)c1cn2ccsc2n1 Amb2688824 [0,0,0,0,0,0|3,0,1]=4 43 B12R2.252 O=C(O)c1cn2ccsc2n1 Amb33528845 [0,0,0,0,0,0|3,0,1]=4 44 B12R2.252 O=C(O)c1cn2nccc2o1 Amb27965828 [0,0,0,0,0,0|4,0,0]=4 45 B12R2.252 O=C(O)c1cn2occc2n1 Amb10071427 [0,0,0,0,0,0|2,1,1]=4 46 B12R2.252 OB(O)c1cc2sccc2s1 Amb21962630 [0,0,0,0,0,0|3,0,1]=4 47 B11R2.15 O=Cc1cc2ccnc2n1 Amb27488076 [1,0,0,0,0,0|1,0,1]=3 48 B11R2.15 O=Cc1cc2ccsc2o1 Amb27839409 [1,0,0,0,0,0|3,0,0]=4 49 B11R2.15 O=Cc1cc2ccsc2s1 Amb4140122 [1,0,0,0,0,0|3,0,0]=4 50 B11R2.15 O=Cc1cc2cnnc2n1 Amb27633330 [1,0,0,0,0,0|2,0,1]=4 51 B11R2.15 O=Cc1cc2ncnc2n1 Amb27782476 [1,0,0,0,0,0|1,0,1]=3 52 B11R2.15 O=Cc1cc2ncoc2s1 Amb18831154 [1,0,0,0,0,0|2,1,0]=4 53 B11R2.15 O=Cc1cc2sccc2s1 Amb2611536 [1,0,0,0,0,0|2,0,0]=3 54 B11R2.15 O=Cc1cc2sccn2c1 Amb28315767 [1,0,0,0,0,0|3,0,0]=4 55 B11R2.15 O=Cc1cc2scnc2s1 Amb28049890 [1,0,0,0,0,0|1,0,0]=2 56 B11R2.15 O=Cc1cn2ccnc2s1 Amb18831202 [1,0,0,0,0,0|3,0,0]=4 57 B11R2.15 OCc1cc2sccc2s1 Amb22370975 [1,0,0,0,0,0|2,0,1]=4 58 B13R2.400 CC(=O)c1cc2sc(N)cc2s1 Amb18188360 [0,1,0,0,0,0|3,0,0]=4 59 B13R2.400 CC(=O)c1cc2sc(O)cc2s1 Amb18188028 [0,1,0,0,0,0|3,0,0]=4 60 B13R2.400 Cc1cc2oc(C(=O)O)cc2s1 Amb18677845 [0,1,0,0,0,0|2,0,0]=3 61 B13R2.400 Cc1cc2sc(C(=O)O)cc2s1 Amb2642763 [0,1,0,0,0,0|2,0,0]=3 62 B13R2.400 Cc1cc2sc(C(N)=O)cc2s1 Amb33495671 [0,1,0,0,0,0|3,0,0]=4 63 B13R2.400 Cc1cn2cc(C(=O)O)sc2n1 Amb20668433 [0,1,0,0,0,0|3,0,0]=4 64 B13R2.400 Cc1cn2cc(C(=O)O)sc2n1 Amb22157252 [0,1,0,0,0,0|3,0,0]=4 65 B13R2.400 Cc1nc2cc(C(=O)O)nc2n1 Amb18828583 [0,1,0,0,0,0|1,0,1]=3 66 B13R2.400 Cc1nn2cc(C(=O)O)nc2s1 Amb16230776 [0,1,0,0,0,0|3,0,0]=4 67 B13R2.400 Cn1cc2cc(C(=O)O)oc2n1 Amb28255795 [0,1,0,0,0,0|3,0,0]=4 68 B13R2.400 Nc1cc2cc(C(=O)O)sc2s1 Amb18187710 [0,1,0,0,0,0|3,0,0]=4 69 B13R2.400 Nc1cc2sc(C(=O)O)cc2s1 Amb18811184 [0,1,0,0,0,0|2,0,0]=3 70 B13R2.400 Nc1nc2sc(C(=O)O)cc2s1 Amb33538143 [0,1,0,0,0,0|1,0,0]=2 71 B13R2.400 Nc1nc2sc(C(=O)O)cc2s1 Amb845438 [0,1,0,0,0,0|1,0,0]=2 72 B13R2.400 O=C(Cl)c1cc2sc(Cl)cc2s1 Amb5720331 [0,1,0,0,0,0|3,0,0]=4 73 B13R2.400 O=C(O)C1Cc2nc(Br)sc2N1 Amb24392277 [0,1,0,0,0,0|2,0,1]=4 74 B13R2.400 O=C(O)c1cc2cc(Br)sc2s1 Amb33018586 [0,1,0,0,0,0|3,0,0]=4 75 B13R2.400 O=C(O)c1cc2cc(Cl)sc2s1 Amb2642664 [0,1,0,0,0,0|3,0,0]=4 76 B13R2.400 O=C(O)c1cc2sc(Br)cc2o1 Amb18714201 [0,1,0,0,0,0|2,0,0]=3 77 B13R2.400 O=C(O)c1cc2sc(Br)cc2s1 Amb18691820 [0,1,0,0,0,0|2,0,0]=3 78 B13R2.400 O=C(O)c1cc2sc(Cl)cc2s1 Amb2642665 [0,1,0,0,0,0|2,0,0]=3 79 B13R2.400 O=C(O)c1cc2sc(F)cc2s1 Amb2642738 [0,1,0,0,0,0|2,0,0]=3 80 B13R2.400 O=C(O)c1cc2sc(O)cc2s1 Amb18810773 [0,1,0,0,0,0|2,0,0]=3 81 B13R2.400 O=C(O)c1cn2cc(Cl)nc2s1 Amb27782059 [0,1,0,0,0,0|3,0,0]=4 82 B13R2.400 O=C(O)c1cn2cc(O)nc2s1 Amb35710177 [0,1,0,0,0,0|3,0,0]=4 83 B13R2.400 O=C(O)c1cn2nc(Br)sc2n1 Amb19957775 [0,1,0,0,0,0|3,0,0]=4 84 B13R2.400 O=C1CN2C=C(C(=O)O)SC2=N1 Amb35679362 [0,1,0,0,0,0|3,0,0]=4 85 B13R2.400 O=C1Cc2cc(C(=O)O)sc2N1 Amb18823401 [0,1,0,0,0,0|2,0,1]=4 86 B13R2.400 O=C1Cc2sc(C(=O)O)cc2N1 Amb18823402 [0,1,0,0,0,0|3,0,0]=4 87 B13R2.400 O=C1Nc2cc(C(=O)O)sc2N1 Amb18823015 [0,1,0,0,0,0|2,0,1]=4 88 B13R2.400 O=C1Nc2cc(C(=O)O)sc2O1 Amb18822591 [0,1,0,0,0,0|3,0,0]=4 89 B13R2.400 O=C1Nc2cc(C(=O)O)sc2S1 Amb18810178 [0,1,0,0,0,0|2,0,1]=4 90 B13R2.531 CNC(=O)c1cc2sccc2s1 Amb26859538 [0,1,0,0,0,0|3,0,0]=4 91 B13R2.531 COC(=O)c1cc2ccnc2n1 Amb35825156 [0,1,0,0,0,0|1,0,1]=3 92 B13R2.531 COC(=O)c1cc2ccsc2o1 Amb27210184 [0,1,0,0,0,0|3,0,0]=4 93 B13R2.531 COC(=O)c1cc2occc2s1 Amb27178894 [0,1,0,0,0,0|2,1,0]=4 94 B13R2.531 COC(=O)c1cc2sccc2s1 Amb2766637 [0,1,0,0,0,0|2,0,0]=3 95 B13R2.531 COC(=O)c1cc2scnc2s1 Amb24178941 [0,1,0,0,0,0|1,0,0]=2 96 B13R2.531 COC(=O)c1cn2ccnc2s1 Amb24683590 [0,1,0,0,0,0|3,0,0]=4 97 B13R2.531 NNC(=O)c1cc2sccc2s1 Amb2766638 [0,1,0,0,0,0|3,0,0]=4 98 B13R2.531 O=C(NO)c1cc2sccc2s1 Amb27654906 [0,1,0,0,0,0|2,0,0]=3 99 B13R2.531 O=C(NO)c1cn2ccnc2s1 Amb27166914 [0,1,0,0,0,0|3,0,0]=4 100 B13R2.2334 CC(=O)c1cc2occc2n1C Amb18829465 [0,1,0,0,0,0|2,1,0]=4 101 B13R2.2334 CC(=O)c1oc2ccsc2c1N Amb18128889 [0,1,0,0,0,0|3,0,0]=4 102 B13R2.2334 Cc1c(C(=O)O)sc2ccsc12 Amb2642762 [0,1,0,0,0,0|2,0,0]=3 103 B13R2.2334 Cc1c(C(=O)O)sc2nccn12 Amb17130223 [0,1,0,0,0,0|3,0,0]=4 104 B13R2.2334 Cc1c(C(=O)O)sc2ncsc12 Amb30666584 [0,1,0,0,0,0|1,0,0]=2 105 B13R2.2334 Cn1c(C(=O)O)cc2c1CCC2 Amb32417005 [0,1,0,0,0,0|2,0,1]=4 106 B13R2.2334 Cn1c(C(=O)O)cc2c1CNC2 Amb18827911 [0,1,0,0,0,0|3,0,0]=4 107 B13R2.2334 Cn1c(C(=O)O)cc2ccsc21 Amb23450795 [0,1,0,0,0,0|2,0,0]=3 108 B13R2.2334 Cn1c(C(=O)O)cc2occc21 Amb17731499 [0,1,0,0,0,0|1,1,0]=3 109 B13R2.2334 Cn1c(C(=O)O)cc2sccc21 Amb2607662 [0,1,0,0,0,0|1,0,0]=2 110 B13R2.2334 Cn1c(C(=O)O)cc2scnc21 Amb25066967 [0,1,0,0,0,0|0,0,0]=1 111 B13R2.2334 Cn1c(C(=O)O)cn2ccnc12 Amb27753898 [0,1,0,0,0,0|2,0,0]=3 112 B13R2.2334 NC(=O)c1sc2ccsc2c1N Amb27748570 [0,1,0,0,0,0|3,0,0]=4 113 B13R2.2334 NC(=O)c1sc2ccsc2c1O Amb27215353 [0,1,0,0,0,0|3,0,0]=4 114 B13R2.2334 Nc1c(C(=O)O)oc2ccsc12 Amb18677857 [0,1,0,0,0,0|2,0,0]=3 115 B13R2.2334 Nc1c(C(=O)O)sc2ccsc12 Amb18677865 [0,1,0,0,0,0|2,0,0]=3 116 B13R2.2334 O=C(O)c1oc2ccsc2c1Br Amb18714206 [0,1,0,0,0,0|2,0,0]=3 117 B13R2.2334 O=C(O)c1sc2sccc2c1Cl Amb1154136 [0,1,0,0,0,0|3,0,0]=4 118 B13R2.3678 CC(=O)c1cc2c(Br)cnc2n1 Amb18159593 [0,1,0,0,0,0|2,0,1]=4 119 B13R2.3678 Cc1nnc2nc(C(=O)O)cc12 Amb18828554 [0,1,0,0,0,0|2,0,1]=4 120 B13R2.3678 Cc1snc2sc(C(=O)O)cc12 Amb8010164 [0,1,0,0,0,0|3,0,0]=4 121 B13R2.3678 Cn1ccc2cc(C(=O)O)oc21 Amb18828611 [0,1,0,0,0,0|2,0,1]=4 122 B13R2.3678 Cn1ccc2cc(C(=O)O)sc21 Amb18824198 [0,1,0,0,0,0|2,0,1]=4 123 B13R2.3678 Cn1ccc2oc(C(=O)O)cc21 Amb18828608 [0,1,0,0,0,0|3,0,0]=4 124 B13R2.3678 Cn1ccc2sc(C(=O)O)cc21 Amb18824216 [0,1,0,0,0,0|3,0,0]=4 125 B13R2.3678 Cn1cnc2nc(C(=O)O)sc21 Amb18823394 [0,1,0,0,0,0|2,0,1]=4 126 B13R2.3678 Cn1cnc2oc(C(=O)O)cc21 Amb18827979 [0,1,0,0,0,0|2,0,0]=3 127 B13R2.3678 Cn1cnc2sc(C(=O)O)cc21 Amb18823812 [0,1,0,0,0,0|2,0,0]=3 128 B13R2.3678 Cn1nnc2sc(C(=O)O)cc21 Amb18148588 [0,1,0,0,0,0|3,0,0]=4 129 B13R2.3678 O=C(O)c1cc2c(Br)nnc2n1 Amb33231254 [0,1,0,0,0,0|2,0,1]=4 130 B13R2.3678 O=C(O)c1cc2scc(Br)c2s1 Amb27801014 [0,1,0,0,0,0|2,0,0]=3 131 B13R2.3678 O=C(O)c1cc2scc(Cl)c2s1 Amb2611415 [0,1,0,0,0,0|2,0,0]=3 132 B13R2.3678 O=C(O)c1cn2c(Br)cnc2s1 Amb33552356 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.35 C=C(Cc1ccco1)C(=O)O Amb27985009 [0,0,1,0,0,0|3,0,0]=4 134 B11R1.35 C=C(Cn1cccn1)C(=O)O Amb33545317 [0,0,1,0,0,0|3,0,0]=4 135 B11R1.35 C=C(Cn1cncn1)C(=O)O Amb27455770 [0,0,1,0,0,0|3,0,0]=4 136 B11R1.35 CC(=O)C(=O)Nc1ccsc1 Amb27484249 [0,0,1,0,0,0|3,0,0]=4 137 B11R1.35 CC(=O)C(N)Cc1cncs1 Amb18198886 [0,0,1,0,0,0|1,0,2]=4 138 B11R1.35 CC(Cc1cncs1)C(=O)O Amb26452858 [0,0,1,0,0,0|1,0,2]=4 139 B11R1.35 CC(Cc1cscn1)C(=O)O Amb18292876 [0,0,1,0,0,0|1,0,2]=4 140 B11R1.35 C[C@H](Nc1ccsc1)C(=O)O Amb17912732 [0,0,1,0,0,0|1,0,2]=4 141 B11R1.35 C\C(=C/c1ccco1)C(=O)O Amb5743924 [0,0,1,0,0,0|2,1,0]=4 142 B11R1.35 C\C(=C/c1cccs1)C(=O)O Amb5743925 [0,0,1,0,0,0|2,0,0]=3 143 B11R1.35 C\C(=C/c1ccns1)C(=O)O Amb30013782 [0,0,1,0,0,0|3,0,0]=4 144 B11R1.35 C\C(=C/c1ccoc1)C(=O)O Amb27975673 [0,0,1,0,0,0|3,0,0]=4 145 B11R1.35 C\C(=C/c1cncs1)C(=O)O Amb27803283 [0,0,1,0,0,0|1,0,0]=2 146 B11R1.35 C\C(=C/c1cncs1)[N+](=O)[O-] Amb27250231 [0,0,1,0,0,0|2,0,1]=4 147 B11R1.35 C\C(=C/c1cscn1)C(=O)O Amb27453159 [0,0,1,0,0,0|1,0,1]=3 148 B11R1.35 C\C(=C\c1ccco1)C(=O)O Amb4010273 [0,0,1,0,0,0|2,1,0]=4 149 B11R1.35 C\C(=C\c1cccs1)C(=O)Cl Amb27952877 [0,0,1,0,0,0|3,0,0]=4 150 B11R1.35 C\C(=C\c1ccsc1)C(=O)O Amb28069074 [0,0,1,0,0,0|2,0,1]=4 151 B11R1.35 C\C(=C\c1csnn1)C(=O)O Amb27216706 [0,0,1,0,0,0|2,0,1]=4 152 B11R1.35 C\C(=C\c1nccs1)C(=O)O Amb27250230 [0,0,1,0,0,0|3,0,0]=4 153 B11R1.35 NC(=O)C(N)Cc1cncs1 Amb24413255 [0,0,1,0,0,0|1,0,2]=4 154 B11R1.35 NC(Cc1cccs1)C(=O)O Amb9720695 [0,0,1,0,0,0|1,0,2]=4 155 B11R1.35 NC(Cc1cnco1)C(=O)O Amb33295162 [0,0,1,0,0,0|0,1,2]=4 156 B11R1.35 NC(Cc1cncs1)C(=O)O Amb18301833 [0,0,1,0,0,0|0,0,2]=3 157 B11R1.35 NC(Cc1cncs1)C(=O)O Amb30584636 [0,0,1,0,0,0|0,0,2]=3 158 B11R1.35 NC(Cc1cncs1)C(=O)O Amb30869600 [0,0,1,0,0,0|0,0,2]=3 159 B11R1.35 NC(Cc1cnns1)C(=O)O Amb33036593 [0,0,1,0,0,0|1,0,2]=4 160 B11R1.35 NC(Cc1cscn1)C(=O)O Amb33620569 [0,0,1,0,0,0|2,0,1]=4 161 B11R1.35 NC(Cc1cscn1)C(=O)O Amb8631053 [0,0,1,0,0,0|2,0,1]=4 162 B11R1.35 N[C@@H](Cc1cccs1)C(=O)O Amb10068210 [0,0,1,0,0,0|1,0,2]=4 163 B11R1.35 N[C@@H](Cc1cccs1)C(=O)O Amb22747410 [0,0,1,0,0,0|1,0,2]=4 164 B11R1.35 N[C@@H](Cc1cncs1)C(=O)O Amb22745840 [0,0,1,0,0,0|0,0,2]=3 165 B11R1.35 N[C@@H](Cc1cnns1)C(=O)O Amb33066323 [0,0,1,0,0,0|1,0,2]=4 166 B11R1.35 N[C@@H](Cc1cscn1)C(=O)O Amb10069175 [0,0,1,0,0,0|2,0,1]=4 167 B11R1.35 N[C@H](Cc1cccs1)C(=O)O Amb10068211 [0,0,1,0,0,0|1,0,2]=4 168 B11R1.35 N[C@H](Cc1cncs1)C(=O)O Amb26604609 [0,0,1,0,0,0|0,0,2]=3 169 B11R1.35 N[C@H](Cc1cnns1)C(=O)O Amb33065876 [0,0,1,0,0,0|1,0,2]=4 170 B11R1.35 N[C@H](Cc1cscn1)C(=O)O Amb10069174 [0,0,1,0,0,0|2,0,1]=4 171 B11R1.35 N\C(=C/c1ccns1)C(=O)O Amb27883195 [0,0,1,0,0,0|2,0,0]=3 172 B11R1.35 N\C(=C/c1cncs1)C(=O)O Amb35608674 [0,0,1,0,0,0|0,0,0]=1 173 B11R1.35 N\C(=C/c1cnsc1)C(=O)O Amb35715807 [0,0,1,0,0,0|2,0,0]=3 174 B11R1.35 N\C(=C\c1ccco1)C(=O)O Amb27493744 [0,0,1,0,0,0|1,1,0]=3 175 B11R1.35 O=C(O)C(=O)Cc1cccs1 Amb1135982 [0,0,1,0,0,0|2,0,1]=4 176 B11R1.35 O=C(O)C(=O)Cc1ccsc1 Amb1133942 [0,0,1,0,0,0|3,0,0]=4 177 B11R1.35 O=C(O)C(=O)Cc1cnco1 Amb33415275 [0,0,1,0,0,0|1,1,1]=4 178 B11R1.35 O=C(O)C(=O)Cc1cncs1 Amb27945694 [0,0,1,0,0,0|1,0,1]=3 179 B11R1.35 O=C(O)C(=O)Cc1cscn1 Amb25879054 [0,0,1,0,0,0|2,0,0]=3 180 B11R1.35 O=C(O)C(=O)Cc1csnn1 Amb27485640 [0,0,1,0,0,0|3,0,0]=4 181 B11R1.35 O=C(O)C(=O)Nc1cccs1 Amb27450757 [0,0,1,0,0,0|3,0,0]=4 182 B11R1.35 O=C(O)C(=O)Nc1ccsc1 Amb27664522 [0,0,1,0,0,0|2,0,0]=3 183 B11R1.35 O=C(O)C(=O)Nc1cnsc1 Amb30015415 [0,0,1,0,0,0|3,0,0]=4 184 B11R1.35 O=C(O)C(=O)Nc1csnn1 Amb30015124 [0,0,1,0,0,0|2,0,0]=3 185 B11R1.35 O=C(O)C(=O)Nc1nccs1 Amb9284838 [0,0,1,0,0,0|3,0,0]=4 186 B11R1.35 O=C(O)C(=O)Nc1nncs1 Amb9303780 [0,0,1,0,0,0|3,0,0]=4 187 B11R1.35 O=C(O)C(=S)Cc1ccsc1 Amb27407692 [0,0,1,0,0,0|3,0,0]=4 188 B11R1.35 O=C(O)C(F)Cc1cncs1 Amb27627166 [0,0,1,0,0,0|1,0,2]=4 189 B11R1.35 O=C(O)C(O)Cc1cncs1 Amb25986069 [0,0,1,0,0,0|1,0,2]=4 190 B11R1.35 O=C(O)C(O)Cc1cscn1 Amb33353293 [0,0,1,0,0,0|2,0,1]=4 191 B11R1.35 O=C(O)\C(F)=C\c1cccs1 Amb27470240 [0,0,1,0,0,0|2,0,0]=3 192 B11R1.35 O=C(O)\C(F)=C\c1ccns1 Amb30013797 [0,0,1,0,0,0|3,0,0]=4 193 B11R1.35 O=C(O)\C(F)=C\c1csnn1 Amb28320101 [0,0,1,0,0,0|3,0,0]=4 194 B11R1.48 C=Cc1oc(C(=O)O)cc1Br Amb35692562 [0,0,1,0,0,0|3,0,0]=4 195 B11R1.48 C=Cc1sc(C(=O)O)cc1C Amb27840318 [0,0,1,0,0,0|3,0,0]=4 196 B11R1.48 CSc1cc(C(=O)O)oc1C Amb19334672 [0,0,1,0,0,0|2,0,1]=4 197 B11R1.90 CC(=O)\C=C\c1sccc1Br Amb27176258 [0,0,1,0,0,0|3,0,0]=4 198 B11R1.90 CC(=O)\C=C\c1sccc1C Amb33448507 [0,0,1,0,0,0|3,0,0]=4 199 B11R1.90 CC(=O)\C=C\c1sccc1Cl Amb33259263 [0,0,1,0,0,0|3,0,0]=4 200 B11R1.90 CC(=O)\C=C\c1scnc1C Amb33172563 [0,0,1,0,0,0|2,0,0]=3 201 B11R1.90 Cc1ccoc1\C=C\C(=O)O Amb28456772 [0,0,1,0,0,0|2,1,0]=4 202 B11R1.90 Cc1ccsc1\C=C/C(N)=O Amb27203317 [0,0,1,0,0,0|3,0,0]=4 203 B11R1.90 Cc1ccsc1\C=C\C(=O)O Amb1153084 [0,0,1,0,0,0|2,0,0]=3 204 B11R1.90 Cc1ncsc1C#CC(=O)O Amb27812681 [0,0,1,0,0,0|1,0,2]=4 205 B11R1.90 Cc1ncsc1CCC(=O)O Amb3941253 [0,0,1,0,0,0|1,0,2]=4 206 B11R1.90 Cc1ncsc1OCC(=O)O Amb33271215 [0,0,1,0,0,0|2,0,1]=4 207 B11R1.90 Cc1ncsc1\C=C\B(O)O Amb35640684 [0,0,1,0,0,0|2,0,1]=4 208 B11R1.90 Cc1ncsc1\C=C\C(=O)O Amb33292464 [0,0,1,0,0,0|1,0,0]=2 209 B11R1.90 Cc1ncsc1\C=C\C(N)=O Amb25964597 [0,0,1,0,0,0|2,0,0]=3 210 B11R1.90 Cc1ncsc1\C=C\[N+](=O)[O-] Amb25148977 [0,0,1,0,0,0|2,0,1]=4 211 B11R1.90 Cc1nnsc1\C=C\C(=O)O Amb25241382 [0,0,1,0,0,0|2,0,0]=3 212 B11R1.90 Cc1occc1\C=C\C(=O)O Amb33171665 [0,0,1,0,0,0|3,0,0]=4 213 B11R1.90 Cn1nccc1\C=C\C(=O)O Amb6889931 [0,0,1,0,0,0|3,0,0]=4 214 B11R1.90 O=C(O)C#Cc1ncsc1Br Amb35602567 [0,0,1,0,0,0|2,0,1]=4 215 B11R1.90 O=C(O)CCc1ncsc1Br Amb33470276 [0,0,1,0,0,0|2,0,1]=4 216 B11R1.90 O=C(O)CCc1scnc1Br Amb18732847 [0,0,1,0,0,0|1,0,2]=4 217 B11R1.90 O=C(O)CNc1ccsc1Cl Amb27424525 [0,0,1,0,0,0|2,0,1]=4 218 B11R1.90 O=C(O)\C=C\c1ccoc1Br Amb33470062 [0,0,1,0,0,0|3,0,0]=4 219 B11R1.90 O=C(O)\C=C\c1ccoc1Cl Amb33470060 [0,0,1,0,0,0|3,0,0]=4 220 B11R1.90 O=C(O)\C=C\c1ccsc1Br Amb33470113 [0,0,1,0,0,0|3,0,0]=4 221 B11R1.90 O=C(O)\C=C\c1ncsc1Br Amb33470114 [0,0,1,0,0,0|2,0,0]=3 222 B11R1.90 O=C(O)\C=C\c1sccc1Br Amb26004966 [0,0,1,0,0,0|2,0,0]=3 223 B11R1.90 O=C(O)\C=C\c1sccc1Cl Amb24100812 [0,0,1,0,0,0|2,0,0]=3 224 B11R1.90 O=C(O)\C=C\c1sccc1F Amb33470058 [0,0,1,0,0,0|2,0,0]=3 225 B11R1.90 O=C(O)\C=C\c1sccc1I Amb33470064 [0,0,1,0,0,0|2,0,0]=3 226 B11R1.90 O=C(O)\C=C\c1sncc1Br Amb33470128 [0,0,1,0,0,0|3,0,0]=4 227 B11R1.124 C=CCc1ccc(C(=O)O)o1 Amb27974261 [0,0,1,0,0,0|3,0,0]=4 228 B11R1.124 C=CCc1ccc(C(=O)O)s1 Amb27233618 [0,0,1,0,0,0|3,0,0]=4 229 B11R1.124 O=C(O)c1ccc(\C=C\Br)s1 Amb33135034 [0,0,1,0,0,0|3,0,0]=4 230 B11R1.124 O=CNc1ccc(C(=O)O)s1 Amb18951593 [0,0,1,0,0,0|1,1,1]=4 231 B11R1.706 O=C(O)C1=CC=CC=CC=C1 Amb22365173 [0,0,1,0,0,0|3,0,0]=4 232 B13R2.430 CC(=O)C1C=Cc2scnc2C1 Amb27409484 [0,0,0,0,0,1|2,0,1]=4 233 B13R2.430 CC(=O)c1cc2scnc2cn1 Amb28124631 [0,0,0,0,0,1|1,0,1]=3 234 B13R2.430 CC(=O)c1ccc2ncoc2c1 Amb18830116 [0,0,0,0,0,1|2,1,0]=4 235 B13R2.430 CC(=O)c1ccc2ncsc2c1 Amb21857859 [0,0,0,0,0,1|2,0,0]=3 236 B13R2.430 CC(=O)c1ccc2ocnc2c1 Amb17319977 [0,0,0,0,0,1|2,1,0]=4 237 B13R2.430 CC(=O)c1ccc2ocnc2n1 Amb27961190 [0,0,0,0,0,1|1,1,1]=4 238 B13R2.430 CC(=O)c1ccc2sccc2c1 Amb16232253 [0,0,0,0,0,1|3,0,0]=4 239 B13R2.430 CC(=O)c1ccc2scnc2c1 Amb18243694 [0,0,0,0,0,1|2,0,0]=3 240 B13R2.430 CC(=O)c1ccc2snnc2c1 Amb27441312 [0,0,0,0,0,1|3,0,0]=4 241 B13R2.430 CC(=O)c1cnc2ccsc2c1 Amb19515659 [0,0,0,0,0,1|2,0,1]=4 242 B13R2.430 CC(=O)c1cnc2ocnc2c1 Amb27186607 [0,0,0,0,0,1|2,1,0]=4 243 B13R2.430 NC(=O)c1cc2ccsc2cn1 Amb27971105 [0,0,0,0,0,1|3,0,0]=4 244 B13R2.430 NC(=O)c1ccc2ncoc2c1 Amb27390946 [0,0,0,0,0,1|2,1,0]=4 245 B13R2.430 NC(=O)c1ccc2ncsc2c1 Amb8997727 [0,0,0,0,0,1|2,0,0]=3 246 B13R2.430 NC(=O)c1ccc2sccc2c1 Amb20623818 [0,0,0,0,0,1|3,0,0]=4 247 B13R2.430 NC(=O)c1cnc2ccsc2c1 Amb27663083 [0,0,0,0,0,1|2,0,1]=4 248 B13R2.430 NC(=O)c1cnc2sccc2c1 Amb25132517 [0,0,0,0,0,1|3,0,0]=4 249 B13R2.430 O=C(Cl)c1ccc2ncoc2c1 Amb27638540 [0,0,0,0,0,1|2,1,0]=4 250 B13R2.430 O=C(Cl)c1ccc2ncsc2c1 Amb22394891 [0,0,0,0,0,1|2,0,0]=3 251 B13R2.430 O=C(Cl)c1ccc2sccc2c1 Amb2723379 [0,0,0,0,0,1|3,0,0]=4 252 B13R2.430 O=C(Cl)c1ccc2scnc2c1 Amb22394892 [0,0,0,0,0,1|2,0,0]=3 253 B13R2.430 O=C(Cl)c1ccc2snnc2c1 Amb2723136 [0,0,0,0,0,1|3,0,0]=4 254 B13R2.430 O=C(O)C1=CNc2ncnn2C1 Amb35747276 [0,0,0,0,0,1|2,0,1]=4 255 B13R2.430 O=C(O)C1=Cc2cccn2CN1 Amb26561284 [0,0,0,0,0,1|3,0,0]=4 256 B13R2.430 O=C(O)C1=Cc2ccsc2CC1 Amb27468136 [0,0,0,0,0,1|2,0,1]=4 257 B13R2.430 O=C(O)C1=Cn2cccc2CN1 Amb22495875 [0,0,0,0,0,1|3,0,0]=4 258 B13R2.430 O=C(O)C1Cc2sccc2CN1 Amb18648765 [0,0,0,0,0,1|1,0,2]=4 259 B13R2.430 O=C(O)c1cc2ccoc2cn1 Amb19958264 [0,0,0,0,0,1|2,0,1]=4 260 B13R2.430 O=C(O)c1cc2ccoc2cn1 Amb22235943 [0,0,0,0,0,1|2,0,1]=4 261 B13R2.430 O=C(O)c1cc2ccsc2cn1 Amb18128312 [0,0,0,0,0,1|2,0,0]=3 262 B13R2.430 O=C(O)c1cc2ncsc2cn1 Amb18824544 [0,0,0,0,0,1|1,0,0]=2 263 B13R2.430 O=C(O)c1cc2occc2cn1 Amb18829553 [0,0,0,0,0,1|1,1,1]=4 264 B13R2.430 O=C(O)c1cc2ocnc2cn1 Amb24066867 [0,0,0,0,0,1|0,1,1]=3 265 B13R2.430 O=C(O)c1cc2sccc2cn1 Amb18128384 [0,0,0,0,0,1|1,0,1]=3 266 B13R2.430 O=C(O)c1cc2sccc2nn1 Amb18128591 [0,0,0,0,0,1|1,0,1]=3 267 B13R2.430 O=C(O)c1cc2scnc2cn1 Amb18824553 [0,0,0,0,0,1|0,0,1]=2 268 B13R2.430 O=C(O)c1ccc2[se]ccc2n1 Amb2611568 [0,0,0,0,0,1|1,1,1]=4 269 B13R2.430 O=C(O)c1ccc2c(c1)C=CC2 Amb24078363 [0,0,0,0,0,1|3,0,0]=4 270 B13R2.430 O=C(O)c1ccc2c(c1)CCS2 Amb27607728 [0,0,0,0,0,1|2,0,1]=4 271 B13R2.430 O=C(O)c1ccc2c(c1)SCC2 Amb27451361 [0,0,0,0,0,1|2,0,1]=4 272 B13R2.430 O=C(O)c1ccc2ccnn2c1 Amb18829868 [0,0,0,0,0,1|3,0,0]=4 273 B13R2.430 O=C(O)c1ccc2ccoc2c1 Amb33542897 [0,0,0,0,0,1|2,1,0]=4 274 B13R2.430 O=C(O)c1ccc2ccsc2c1 Amb9783319 [0,0,0,0,0,1|2,0,0]=3 275 B13R2.430 O=C(O)c1ccc2cnsc2c1 Amb22754833 [0,0,0,0,0,1|3,0,0]=4 276 B13R2.430 O=C(O)c1ccc2nccn2c1 Amb24081838 [0,0,0,0,0,1|3,0,0]=4 277 B13R2.430 O=C(O)c1ccc2nccn2c1 Amb2436455 [0,0,0,0,0,1|3,0,0]=4 278 B13R2.430 O=C(O)c1ccc2nccn2c1 Amb8629926 [0,0,0,0,0,1|3,0,0]=4 279 B13R2.430 O=C(O)c1ccc2ncnn2c1 Amb18341392 [0,0,0,0,0,1|3,0,0]=4 280 B13R2.430 O=C(O)c1ccc2ncoc2c1 Amb8629960 [0,0,0,0,0,1|1,1,0]=3 281 B13R2.430 O=C(O)c1ccc2ncsc2c1 Amb1207386 [0,0,0,0,0,1|1,0,0]=2 282 B13R2.430 O=C(O)c1ccc2ncsc2n1 Amb22736770 [0,0,0,0,0,1|2,0,0]=3 283 B13R2.430 O=C(O)c1ccc2nnoc2c1 Amb18829108 [0,0,0,0,0,1|2,1,0]=4 284 B13R2.430 O=C(O)c1ccc2nnsc2c1 Amb8439690 [0,0,0,0,0,1|2,0,0]=3 285 B13R2.430 O=C(O)c1ccc2nonc2c1 Amb1087899 [0,0,0,0,0,1|3,0,0]=4 286 B13R2.430 O=C(O)c1ccc2nsnc2c1 Amb1042175 [0,0,0,0,0,1|3,0,0]=4 287 B13R2.430 O=C(O)c1ccc2occc2c1 Amb2723107 [0,0,0,0,0,1|2,1,0]=4 288 B13R2.430 O=C(O)c1ccc2occc2n1 Amb18645762 [0,0,0,0,0,1|1,1,1]=4 289 B13R2.430 O=C(O)c1ccc2ocnc2c1 Amb5730401 [0,0,0,0,0,1|1,1,0]=3 290 B13R2.430 O=C(O)c1ccc2ocnc2n1 Amb25677507 [0,0,0,0,0,1|0,1,1]=3 291 B13R2.430 O=C(O)c1ccc2sccc2c1 Amb1995219 [0,0,0,0,0,1|2,0,0]=3 292 B13R2.430 O=C(O)c1ccc2sccc2n1 Amb18128400 [0,0,0,0,0,1|1,0,1]=3 293 B13R2.430 O=C(O)c1ccc2scnc2c1 Amb1994154 [0,0,0,0,0,1|1,0,0]=2 294 B13R2.430 O=C(O)c1ccc2sncc2c1 Amb24330535 [0,0,0,0,0,1|3,0,0]=4 295 B13R2.430 O=C(O)c1ccc2snnc2c1 Amb2723135 [0,0,0,0,0,1|2,0,0]=3 296 B13R2.430 O=C(O)c1ccn2ccnc2c1 Amb10071160 [0,0,0,0,0,1|3,0,0]=4 297 B13R2.430 O=C(O)c1ccn2ccnc2c1 Amb8629925 [0,0,0,0,0,1|3,0,0]=4 298 B13R2.430 O=C(O)c1ccn2ccnc2n1 Amb25254671 [0,0,0,0,0,1|2,0,1]=4 299 B13R2.430 O=C(O)c1ccn2ccnc2n1 Amb35747096 [0,0,0,0,0,1|2,0,1]=4 300 B13R2.430 O=C(O)c1ccn2nccc2c1 Amb22235529 [0,0,0,0,0,1|3,0,0]=4 301 B13R2.430 O=C(O)c1ccn2ncnc2c1 Amb19096415 [0,0,0,0,0,1|3,0,0]=4 302 B13R2.430 O=C(O)c1cn2ccnc2cn1 Amb22728065 [0,0,0,0,0,1|2,0,1]=4 303 B13R2.430 O=C(O)c1cn2ncnc2cn1 Amb18829094 [0,0,0,0,0,1|2,0,1]=4 304 B13R2.430 O=C(O)c1cnc2ccnn2c1 Amb13889372 [0,0,0,0,0,1|3,0,0]=4 305 B13R2.430 O=C(O)c1cnc2ccoc2c1 Amb13890160 [0,0,0,0,0,1|1,1,1]=4 306 B13R2.430 O=C(O)c1cnc2ccsc2c1 Amb18648242 [0,0,0,0,0,1|1,0,1]=3 307 B13R2.430 O=C(O)c1cnc2nccn2c1 Amb18829515 [0,0,0,0,0,1|2,0,1]=4 308 B13R2.430 O=C(O)c1cnc2ncnn2c1 Amb1133638 [0,0,0,0,0,1|2,0,1]=4 309 B13R2.430 O=C(O)c1cnc2ncoc2c1 Amb27186299 [0,0,0,0,0,1|0,1,1]=3 310 B13R2.430 O=C(O)c1cnc2nonc2n1 Amb9782266 [0,0,0,0,0,1|2,0,1]=4 311 B13R2.430 O=C(O)c1cnc2occc2c1 Amb18645764 [0,0,0,0,0,1|2,0,1]=4 312 B13R2.430 O=C(O)c1cnc2sccc2c1 Amb18648241 [0,0,0,0,0,1|2,0,0]=3 313 B13R2.430 O=C(O)c1cnc2sccc2n1 Amb18824561 [0,0,0,0,0,1|1,0,1]=3 314 B13R2.430 O=C(O)c1cnc2sncc2c1 Amb18824543 [0,0,0,0,0,1|3,0,0]=4 315 B13R2.430 O=C(O)c1cnc2snnc2c1 Amb24330538 [0,0,0,0,0,1|2,0,0]=3 316 B13R2.430 O=C(O)c1cnn2ccnc2n1 Amb27186826 [0,0,0,0,0,1|2,0,1]=4 317 B13R2.430 O=C(O)c1cnn2nccc2c1 Amb27623648 [0,0,0,0,0,1|2,0,1]=4 318 B13R2.430 O=C(O)c1ncc2ccoc2n1 Amb18522236 [0,0,0,0,0,1|2,0,1]=4 319 B13R2.430 O=C(O)c1ncc2ccsc2n1 Amb18145711 [0,0,0,0,0,1|2,0,1]=4 320 B13R2.430 O=C(O)c1ncc2occc2n1 Amb18829115 [0,0,0,0,0,1|1,1,1]=4 321 B13R2.430 O=N(=O)c1ccc2ncsc2c1 Amb20621778 [0,0,0,0,0,1|2,0,1]=4 322 B13R2.430 O=N(=O)c1ccc2scnc2c1 Amb20621777 [0,0,0,0,0,1|2,0,1]=4 323 B13R2.430 O=S([O-])c1ccc2ncsc2c1 Amb32754161 [0,0,0,0,0,1|2,0,1]=4 324 B13R2.430 O=S([O-])c1ccc2scnc2c1 Amb32754107 [0,0,0,0,0,1|2,0,1]=4 325 B13R2.430 O=[N+]([O-])c1ccc2ncsc2c1 Amb6357478 [0,0,0,0,0,1|2,0,1]=4 326 B13R2.430 O=[N+]([O-])c1ccc2scnc2c1 Amb8496549 [0,0,0,0,0,1|2,0,1]=4 327 B13R2.430 OB(O)c1ccc2ncsc2c1 Amb19959637 [0,0,0,0,0,1|2,0,1]=4 328 B13R2.430 OB(O)c1ccc2scnc2c1 Amb25260689 [0,0,0,0,0,1|2,0,1]=4 329 B13R2.435 CC(=O)c1cc2cccnc2s1 Amb18195959 [0,0,0,0,0,1|3,0,0]=4 330 B13R2.435 CC(=O)c1cc2ccncc2o1 Amb18830115 [0,0,0,0,0,1|3,0,0]=4 331 B13R2.435 CC(=O)c1cc2ccncc2s1 Amb18825003 [0,0,0,0,0,1|3,0,0]=4 332 B13R2.435 CC(=O)c1cc2cncnc2s1 Amb18678304 [0,0,0,0,0,1|3,0,0]=4 333 B13R2.435 CC(=O)c1cc2nccnc2o1 Amb18829866 [0,0,0,0,0,1|3,0,0]=4 334 B13R2.435 CC(=O)c1cc2nccnc2s1 Amb18824895 [0,0,0,0,0,1|3,0,0]=4 335 B13R2.435 O=C(Cl)c1cc2cccnc2s1 Amb22736489 [0,0,0,0,0,1|3,0,0]=4 336 B13R2.435 O=C(Cl)c1cc2cccnc2s1 Amb27185816 [0,0,0,0,0,1|3,0,0]=4 337 B13R2.435 O=C(O)C1=CN2=CC=CN=C2N1 Amb31128517 [0,0,0,0,0,1|2,0,0]=3 338 B13R2.435 O=C(O)C1=Cc2ccccc2C1 Amb10553818 [0,0,0,0,0,1|3,0,0]=4 339 B13R2.435 O=C(O)C1Cc2cccnc2N1 Amb27794813 [0,0,0,0,0,1|1,0,2]=4 340 B13R2.435 O=C(O)c1cc2c(o1)CCSC2 Amb18143031 [0,0,0,0,0,1|2,0,1]=4 341 B13R2.435 O=C(O)c1cc2c(s1)C=CCO2 Amb6718271 [0,0,0,0,0,1|2,1,0]=4 342 B13R2.435 O=C(O)c1cc2c(s1)CCCS2 Amb18187372 [0,0,0,0,0,1|2,0,1]=4 343 B13R2.435 O=C(O)c1cc2c(s1)CCSC2 Amb18279248 [0,0,0,0,0,1|2,0,1]=4 344 B13R2.435 O=C(O)c1cc2c(s1)NCCS2 Amb18685306 [0,0,0,0,0,1|1,0,2]=4 345 B13R2.435 O=C(O)c1cc2ccccc2[se]1 Amb2611625 [0,0,0,0,0,1|3,0,0]=4 346 B13R2.435 O=C(O)c1cc2ccccc2o1 Amb1203290 [0,0,0,0,0,1|3,0,0]=4 347 B13R2.435 O=C(O)c1cc2ccccc2s1 Amb6335225 [0,0,0,0,0,1|3,0,0]=4 348 B13R2.435 O=C(O)c1cc2cccnc2o1 Amb8383389 [0,0,0,0,0,1|2,0,0]=3 349 B13R2.435 O=C(O)c1cc2cccnc2s1 Amb2723080 [0,0,0,0,0,1|2,0,0]=3 350 B13R2.435 O=C(O)c1cc2cccnn2n1 Amb24330534 [0,0,0,0,0,1|2,0,1]=4 351 B13R2.435 O=C(O)c1cc2ccncc2o1 Amb18645760 [0,0,0,0,0,1|2,0,0]=3 352 B13R2.435 O=C(O)c1cc2ccncc2s1 Amb18824745 [0,0,0,0,0,1|2,0,0]=3 353 B13R2.435 O=C(O)c1cc2cnccc2o1 Amb18645761 [0,0,0,0,0,1|3,0,0]=4 354 B13R2.435 O=C(O)c1cc2cnccc2s1 Amb18648240 [0,0,0,0,0,1|3,0,0]=4 355 B13R2.435 O=C(O)c1cc2cncnc2o1 Amb18142231 [0,0,0,0,0,1|2,0,0]=3 356 B13R2.435 O=C(O)c1cc2cncnc2s1 Amb18145660 [0,0,0,0,0,1|2,0,0]=3 357 B13R2.435 O=C(O)c1cc2cncnn2c1 Amb18829518 [0,0,0,0,0,1|3,0,0]=4 358 B13R2.435 O=C(O)c1cc2cnncc2o1 Amb27224397 [0,0,0,0,0,1|3,0,0]=4 359 B13R2.435 O=C(O)c1cc2ncccc2o1 Amb17774703 [0,0,0,0,0,1|3,0,0]=4 360 B13R2.435 O=C(O)c1cc2ncccc2o1 Amb7173138 [0,0,0,0,0,1|3,0,0]=4 361 B13R2.435 O=C(O)c1cc2ncccc2s1 Amb9677586 [0,0,0,0,0,1|3,0,0]=4 362 B13R2.435 O=C(O)c1cc2nccnc2o1 Amb18829111 [0,0,0,0,0,1|2,0,0]=3 363 B13R2.435 O=C(O)c1cc2nccnc2s1 Amb2723505 [0,0,0,0,0,1|2,0,0]=3 364 B13R2.435 O=C(O)c1cc2ncncc2s1 Amb18824542 [0,0,0,0,0,1|2,0,0]=3 365 B13R2.435 O=C(O)c1cn2cccnc2n1 Amb33532058 [0,0,0,0,0,1|2,0,1]=4 366 B13R2.435 O=C(O)c1cn2ccncc2n1 Amb6359289 [0,0,0,0,0,1|2,0,1]=4 367 B13R2.435 O=C(O)c1cn2cncnc2n1 Amb28061009 [0,0,0,0,0,1|2,0,1]=4 368 B13R2.435 O=C(O)c1cn2nccnc2n1 Amb27618841 [0,0,0,0,0,1|2,0,1]=4 369 B13R2.435 O=C(O)c1nc2cccnc2s1 Amb22499596 [0,0,0,0,0,1|3,0,0]=4 370 B13R2.435 O=C(O)c1nc2ccncc2s1 Amb22728609 [0,0,0,0,0,1|3,0,0]=4 371 B13R2.435 O=C(O)c1nc2cnccc2o1 Amb32691510 [0,0,0,0,0,1|2,0,1]=4 372 B13R2.435 O=C(O)c1nc2cnccc2s1 Amb24100066 [0,0,0,0,0,1|2,0,1]=4 373 B13R2.435 O=C(O)c1nc2ncccc2o1 Amb18829106 [0,0,0,0,0,1|2,0,1]=4 374 B13R2.435 O=C(O)c1nc2ncccc2s1 Amb22490341 [0,0,0,0,0,1|2,0,1]=4 375 B13R2.543 CC(=O)Nc1cc2sccc2s1 Amb27947484 [0,0,0,0,0,1|3,0,0]=4 376 B13R2.543 O=C(O)Cc1cc2ncoc2s1 Amb18823399 [0,0,0,0,0,1|2,1,0]=4 377 B13R2.543 O=C(O)Cc1cc2occc2s1 Amb18823815 [0,0,0,0,0,1|2,1,0]=4 378 B13R2.543 O=C(O)Cc1cn2ccnc2o1 Amb18827986 [0,0,0,0,0,1|3,0,0]=4 379 B13R2.543 O=C(O)Cc1cn2ncsc2n1 Amb17128426 [0,0,0,0,0,1|3,0,0]=4 380 B13R2.543 O=C(O)Cc1nc2sccc2o1 Amb18823405 [0,0,0,0,0,1|3,0,0]=4 381 B10R1.27 C=CC(=O)Nc1cscn1 Amb24709378 [1,0,1,0,0,0|2,0,0]=4 382 B10R1.27 C\C(C=O)=C/c1cccs1 Amb17334333 [1,0,1,0,0,0|2,0,0]=4 383 B10R1.27 C\C(C=O)=C/c1cncs1 Amb27405461 [1,0,1,0,0,0|1,0,0]=3 384 B10R1.27 N\C(=C/c1cccs1)CO Amb28245870 [1,0,1,0,0,0|1,0,1]=4 385 B10R1.27 N\C(=C\c1cccs1)CO Amb27624553 [1,0,1,0,0,0|1,0,1]=4 386 B10R1.27 N\C(Cc1cncs1)=N/O Amb27803465 [1,0,1,0,0,0|1,0,1]=4 387 B10R1.27 O=C\C(Cl)=C/c1cccs1 Amb27227152 [1,0,1,0,0,0|2,0,0]=4 388 B10R1.27 O=C\C(F)=C\c1cccs1 Amb27770449 [1,0,1,0,0,0|2,0,0]=4 389 B10R1.66 CC(=O)\C=C\c1cccs1 Amb33512960 [1,0,1,0,0,0|2,0,0]=4 390 B10R1.66 CC(=O)\C=C\c1cnco1 Amb33319933 [1,0,1,0,0,0|1,1,0]=4 391 B10R1.66 CC(=O)\C=C\c1cncs1 Amb33359799 [1,0,1,0,0,0|1,0,0]=3 392 B10R1.66 CC(=O)\C=C\c1cscn1 Amb32954498 [1,0,1,0,0,0|2,0,0]=4 393 B10R1.66 NC(=O)\C=C\c1cccs1 Amb3429140 [1,0,1,0,0,0|2,0,0]=4 394 B10R1.66 NC(=O)\C=C\c1cscn1 Amb28370560 [1,0,1,0,0,0|2,0,0]=4 395 B10R1.66 O=C(Cl)\C=C\c1cccs1 Amb7173093 [1,0,1,0,0,0|2,0,0]=4 396 B10R1.66 O=C(O)C#Cc1cncs1 Amb24537958 [1,0,1,0,0,0|0,0,2]=4 397 B10R1.66 O=C(O)C#Cc1cscn1 Amb27838921 [1,0,1,0,0,0|1,0,1]=4 398 B10R1.66 O=C(O)CCc1cncs1 Amb18830641 [1,0,1,0,0,0|0,0,2]=4 399 B10R1.66 O=C(O)CCc1cncs1 Amb32661213 [1,0,1,0,0,0|0,0,2]=4 400 B10R1.66 O=C(O)CCc1cscn1 Amb33528760 [1,0,1,0,0,0|1,0,1]=4 401 B10R1.66 O=C(O)CNc1ccsc1 Amb25322129 [1,0,1,0,0,0|1,0,1]=4 402 B10R1.66 O=C(O)COc1cncs1 Amb33268052 [1,0,1,0,0,0|1,0,1]=4 403 B10R1.66 O=C(O)COc1cscn1 Amb33417306 [1,0,1,0,0,0|1,0,1]=4 404 B10R1.66 O=C(O)\C=C/c1ccco1 Amb26458726 [1,0,1,0,0,0|1,1,0]=4 405 B10R1.66 O=C(O)\C=C/c1cccs1 Amb27658635 [1,0,1,0,0,0|1,0,0]=3 406 B10R1.66 O=C(O)\C=C/c1ccsc1 Amb10071559 [1,0,1,0,0,0|2,0,0]=4 407 B10R1.66 O=C(O)\C=C\c1ccco1 Amb6335256 [1,0,1,0,0,0|1,1,0]=4 408 B10R1.66 O=C(O)\C=C\c1cccs1 Amb24076486 [1,0,1,0,0,0|1,0,0]=3 409 B10R1.66 O=C(O)\C=C\c1cccs1 Amb33716246 [1,0,1,0,0,0|1,0,0]=3 410 B10R1.66 O=C(O)\C=C\c1ccno1 Amb27851739 [1,0,1,0,0,0|2,0,0]=4 411 B10R1.66 O=C(O)\C=C\c1ccns1 Amb27234709 [1,0,1,0,0,0|2,0,0]=4 412 B10R1.66 O=C(O)\C=C\c1ccoc1 Amb33946022 [1,0,1,0,0,0|2,0,0]=4 413 B10R1.66 O=C(O)\C=C\c1ccsc1 Amb1154295 [1,0,1,0,0,0|2,0,0]=4 414 B10R1.66 O=C(O)\C=C\c1cnco1 Amb32954265 [1,0,1,0,0,0|0,1,0]=3 415 B10R1.66 O=C(O)\C=C\c1cncs1 Amb33473685 [1,0,1,0,0,0|0,0,0]=2 416 B10R1.66 O=C(O)\C=C\c1cnns1 Amb33470055 [1,0,1,0,0,0|1,0,0]=3 417 B10R1.66 O=C(O)\C=C\c1cnsc1 Amb28239806 [1,0,1,0,0,0|2,0,0]=4 418 B10R1.66 O=C(O)\C=C\c1cnsn1 Amb18644786 [1,0,1,0,0,0|2,0,0]=4 419 B10R1.66 O=C(O)\C=C\c1cocn1 Amb24638306 [1,0,1,0,0,0|1,1,0]=4 420 B10R1.66 O=C(O)\C=C\c1cscn1 Amb8836304 [1,0,1,0,0,0|1,0,0]=3 421 B10R1.66 O=C(O)\C=C\c1csnn1 Amb33079448 [1,0,1,0,0,0|2,0,0]=4 422 B10R1.66 O=C(O)\C=C\c1nccs1 Amb8836307 [1,0,1,0,0,0|2,0,0]=4 423 B10R1.66 O=C(O)\C=C\n1ccnc1 Amb26919413 [1,0,1,0,0,0|2,0,0]=4 424 B10R1.66 O=[N+]([O-])\C=C\c1cncs1 Amb27944585 [1,0,1,0,0,0|1,0,1]=4 425 B10R1.66 OB(O)\C=C\c1cncs1 Amb35640685 [1,0,1,0,0,0|1,0,1]=4 426 B10R1.31 C=Cc1ccc(C(=O)O)s1 Amb27606833 [1,0,1,0,0,0|2,0,0]=4 427 B10R1.31 C=Cc1csc(C(=O)O)c1 Amb32682054 [1,0,1,0,0,0|2,0,0]=4 428 B10R1.31 O=C(O)c1ccc(CS)o1 Amb4136322 [1,0,1,0,0,0|1,0,1]=4 429 B10R1.31 O=C(O)c1ccc(CS)s1 Amb24556891 [1,0,1,0,0,0|1,0,1]=4 430 B10R1.31 O=Cc1ccc(C(=O)O)o1 Amb2688600 [1,0,1,0,0,0|1,1,0]=4 431 B10R1.31 O=Cc1ccc(C(=O)O)s1 Amb2611502 [1,0,1,0,0,0|1,1,0]=4 432 B10R1.31 O=Cc1coc(C(=O)O)c1 Amb27589260 [1,0,1,0,0,0|2,0,0]=4 433 B10R1.31 O=Cc1csc(C(=O)O)c1 Amb18125941 [1,0,1,0,0,0|2,0,0]=4 434 B10R1.29 Cc1ccsc1\C=C\C=O Amb33136416 [1,0,1,0,0,0|2,0,0]=4 435 B10R1.29 Cc1ncsc1\C=C\C=O Amb33358465 [1,0,1,0,0,0|1,0,0]=3 436 B10R1.29 Cc1ncsc1\C=C\CO Amb33172520 [1,0,1,0,0,0|1,0,1]=4 437 B10R1.29 O=C\C=C\c1sccc1Br Amb33242845 [1,0,1,0,0,0|2,0,0]=4 438 B10R1.29 O=C\C=C\c1sccc1Cl Amb27847772 [1,0,1,0,0,0|2,0,0]=4 439 B10R2.2 O=C1Nc2ccsc2N1 Amb22899034 [2,0,0,0,0,0|2,0,0]=4 440 B10R2.2 Oc1cc2sccc2s1 Amb24745644 [2,0,0,0,0,0|2,0,0]=4 441 B12R1.104 C\C(=C/c1cnc(C)s1)C(=O)O Amb27748587 [0,1,1,0,0,0|1,0,0]=3 442 B12R1.104 C\C(=C/c1cnc(N)s1)C(=O)O Amb27191504 [0,1,1,0,0,0|1,0,0]=3 443 B12R1.104 C\C(=C/c1csc(C)n1)C(=O)O Amb25368025 [0,1,1,0,0,0|1,0,1]=4 444 B12R1.104 Cc1nc(CC(=O)C(=O)O)cs1 Amb26025903 [0,1,1,0,0,0|2,0,0]=4 445 B12R1.104 Cc1ncc(CC(=O)C(=O)O)s1 Amb25714990 [0,1,1,0,0,0|1,0,1]=4 446 B12R1.104 Cc1ncc(CC(N)C(=O)O)s1 Amb18822037 [0,1,1,0,0,0|0,0,2]=4 447 B12R1.104 Cc1ncc(C[C@@H](N)C(=O)O)s1 Amb27146199 [0,1,1,0,0,0|0,0,2]=4 448 B12R1.104 Cc1ncc(C[C@H](N)C(=O)O)s1 Amb24346493 [0,1,1,0,0,0|0,0,2]=4 449 B12R1.104 Cc1ncc(\C=C(\N)C(=O)O)s1 Amb35641003 [0,1,1,0,0,0|0,0,0]=2 450 B12R1.104 NC(Cc1cnc(Br)s1)C(=O)O Amb27965453 [0,1,1,0,0,0|0,0,2]=4 451 B12R1.104 NC(Cc1cnc(Cl)s1)C(=O)O Amb25995163 [0,1,1,0,0,0|0,0,2]=4 452 B12R1.104 O=C(O)C(=O)Cc1cnc(Cl)s1 Amb33220950 [0,1,1,0,0,0|1,0,1]=4 453 B12R1.104 O=C(O)C(=O)Cc1csc(Br)n1 Amb33336576 [0,1,1,0,0,0|2,0,0]=4 454 B12R1.104 O=C(O)C(=O)Nc1csc(Cl)c1 Amb28317598 [0,1,1,0,0,0|2,0,0]=4 455 B12R1.104 O=C(O)\C(F)=C\c1ccc(Br)s1 Amb27461264 [0,1,1,0,0,0|2,0,0]=4 456 B12R1.108 COC(=O)C(=O)Nc1ccsc1 Amb27416715 [0,1,1,0,0,0|2,0,0]=4 457 B12R1.108 COC(=O)C(=O)Nc1csnn1 Amb30016801 [0,1,1,0,0,0|2,0,0]=4 458 B12R1.108 COC(=O)C(N)Cc1cncs1 Amb32670883 [0,1,1,0,0,0|0,0,2]=4 459 B12R1.108 COC(=O)\C(O)=C\c1cccs1 Amb18010728 [0,1,1,0,0,0|2,0,0]=4 460 B12R1.120 C=C(C(=O)O)[C@@H](O)c1ccsc1 Amb27592134 [0,1,1,0,0,0|2,0,0]=4 461 B12R1.120 C\C(C(=O)O)=C(\Cl)c1cccs1 Amb28075577 [0,1,1,0,0,0|2,0,0]=4 462 B12R1.120 NC(C(=O)O)C(O)c1cncs1 Amb18821128 [0,1,1,0,0,0|0,0,2]=4 463 B12R1.120 O=C(O)C(=O)C(=O)c1cccs1 Amb31096970 [0,1,1,0,0,0|2,0,0]=4 464 B12R1.145 CC(=O)\C(C)=C\c1scnc1C Amb28246687 [0,1,1,0,0,0|2,0,0]=4 465 B12R1.145 C\C(=C/c1cncn1C)C(=O)O Amb27784756 [0,1,1,0,0,0|2,0,0]=4 466 B12R1.145 C\C(=C/c1sccc1Cl)C(=O)O Amb27616806 [0,1,1,0,0,0|2,0,0]=4 467 B12R1.145 C\C(=C\c1sccc1C)C(=O)O Amb27786857 [0,1,1,0,0,0|2,0,0]=4 468 B12R1.145 Cc1ccsc1\C=C(\N)C(=O)O Amb27827636 [0,1,1,0,0,0|1,0,0]=3 469 B12R1.145 Cc1ncsc1CC(=O)C(=O)O Amb32877657 [0,1,1,0,0,0|1,0,1]=4 470 B12R1.145 Cc1ncsc1CC(N)C(=O)O Amb18822033 [0,1,1,0,0,0|0,0,2]=4 471 B12R1.145 Cc1ncsc1C[C@@H](N)C(=O)O Amb28396540 [0,1,1,0,0,0|0,0,2]=4 472 B12R1.145 Cc1ncsc1\C=C(\N)C(=O)O Amb35608671 [0,1,1,0,0,0|0,0,0]=2 473 B12R1.145 Cn1cncc1\C=C(\N)C(=O)O Amb35601938 [0,1,1,0,0,0|1,0,0]=3 474 B12R1.145 Cn1ncnc1\C=C(\N)C(=O)O Amb27449682 [0,1,1,0,0,0|2,0,0]=4 475 B12R1.145 N[C@@H](Cc1scnc1Cl)C(=O)O Amb33036143 [0,1,1,0,0,0|0,0,2]=4 476 B12R1.145 N[C@H](Cc1scnc1Cl)C(=O)O Amb33065656 [0,1,1,0,0,0|0,0,2]=4 477 B12R1.298 CC\C(=C/c1cccs1)C(=O)O Amb5743949 [0,1,1,0,0,0|2,0,0]=4 478 B12R1.298 CC\C(=C/c1cncs1)C(=O)O Amb32682304 [0,1,1,0,0,0|1,0,0]=3 479 B12R1.298 CC\C(=C/c1cscn1)C(=O)O Amb32682279 [0,1,1,0,0,0|1,0,1]=4 480 B12R1.298 N#C\C(=C/c1cccs1)C(=O)O Amb1126845 [0,1,1,0,0,0|1,0,1]=4 481 B12R1.298 N#C\C(=C/c1cncs1)C(=O)O Amb26480363 [0,1,1,0,0,0|0,0,1]=3 482 B12R1.298 N#C\C(=C\c1cccs1)C(=O)O Amb2553295 [0,1,1,0,0,0|1,0,1]=4 483 B12R1.81 CCc1ccsc1\C=C\C(=O)O Amb32729214 [0,1,1,0,0,0|2,0,0]=4 484 B12R1.81 CCc1nnsc1\C=C\C(=O)O Amb33470077 [0,1,1,0,0,0|2,0,0]=4 485 B12R1.81 COc1ccsc1\C=C\C(=O)O Amb24740865 [0,1,1,0,0,0|2,0,0]=4 486 B12R1.81 O=Cc1scnc1C#CC(=O)O Amb33076959 [0,1,1,0,0,0|1,0,1]=4 487 B12R1.353 COC(=O)\C=C\c1ocnc1C Amb27643685 [0,1,1,0,0,0|1,1,0]=4 488 B12R1.353 COC(=O)\C=C\c1sccc1Br Amb28046177 [0,1,1,0,0,0|2,0,0]=4 489 B12R1.353 COC(=O)\C=C\c1sccc1C Amb2780356 [0,1,1,0,0,0|2,0,0]=4 490 B12R1.353 COC(=O)\C=C\c1sccc1Cl Amb28146353 [0,1,1,0,0,0|2,0,0]=4 491 B12R1.353 COC(=O)\C=C\c1scnc1C Amb26512216 [0,1,1,0,0,0|1,0,0]=3 492 B12R1.861 Cc1cc(Br)c(\C=C\C(=O)O)s1 Amb33431369 [0,1,1,0,0,0|2,0,0]=4 493 B12R1.861 Cc1nc(C)c(\C=C\C(=O)O)o1 Amb26916027 [0,1,1,0,0,0|1,1,0]=4 494 B12R1.861 Cc1nc(C)c(\C=C\C(=O)O)s1 Amb18206403 [0,1,1,0,0,0|1,0,0]=3 495 B12R1.861 Cc1nc(C)c(\C=C\C(N)=O)s1 Amb27862876 [0,1,1,0,0,0|2,0,0]=4 496 B12R1.861 Cc1nc(\C=C\C(=O)O)c(C)s1 Amb33470123 [0,1,1,0,0,0|1,0,1]=4 497 B12R1.861 NC(=O)\C=C\c1sc(Cl)nc1Cl Amb24678116 [0,1,1,0,0,0|2,0,0]=4 498 B12R1.870 Cc1csc(\C=C\C(=O)O)c1Br Amb33433894 [0,1,1,0,0,0|2,0,0]=4 499 B12R1.870 Cc1csc(\C=C\C(=O)O)c1Cl Amb33470078 [0,1,1,0,0,0|2,0,0]=4 500 B12R1.895 Cn1cnc(Br)c1\C=C\C(=O)O Amb26372396 [0,1,1,0,0,0|2,0,0]=4 501 B12R1.895 Cn1cnc(Cl)c1\C=C\C(=O)O Amb33057132 [0,1,1,0,0,0|2,0,0]=4 502 B12R2.30 Cn1c(C=O)cc2ccsc21 Amb18828261 [1,1,0,0,0,0|2,0,0]=4 503 B12R2.30 Cn1c(C=O)cc2sccc21 Amb2723685 [1,1,0,0,0,0|1,0,0]=3 504 B12R2.30 Cn1c(C=O)cn2ccnc12 Amb18831352 [1,1,0,0,0,0|2,0,0]=4 505 B12R2.30 Cn1c(CO)cc2sccc21 Amb2723686 [1,1,0,0,0,0|1,0,1]=4 506 B12R2.364 Cc1cc2sc(C=O)cc2s1 Amb25151691 [1,1,0,0,0,0|2,0,0]=4 507 B12R2.364 O=Cc1cc2sc(Br)cc2s1 Amb18154598 [1,1,0,0,0,0|2,0,0]=4 508 B12R2.2040 Cn1cnc2sc(C=O)cc21 Amb18827729 [1,1,0,0,0,0|2,0,0]=4 509 B12R2.2040 O=Cc1cc2c(Br)cnc2n1 Amb18172158 [1,1,0,0,0,0|1,0,1]=4 510 B12R2.2040 O=Cc1cc2scc(Br)c2s1 Amb33746689 [1,1,0,0,0,0|2,0,0]=4 511 B14R2.601 CC(=O)c1ccc2nc(Br)sc2c1 Amb23437124 [0,1,0,0,0,1|2,0,0]=4 512 B14R2.601 CC(=O)c1ccc2nc(C)sc2c1 Amb23402194 [0,1,0,0,0,1|2,0,0]=4 513 B14R2.601 CC(=O)c1ccc2nc(N)sc2c1 Amb3942324 [0,1,0,0,0,1|2,0,0]=4 514 B14R2.601 CC(=O)c1ccc2sc(C)nc2c1 Amb342477 [0,1,0,0,0,1|2,0,0]=4 515 B14R2.601 CC(=O)c1ccc2sc(Cl)nc2c1 Amb25923381 [0,1,0,0,0,1|2,0,0]=4 516 B14R2.601 CC(=O)c1ccc2sc(N)nc2c1 Amb24384156 [0,1,0,0,0,1|2,0,0]=4 517 B14R2.601 CC1=Nc2ccc(C(=O)O)cc2C1 Amb28139944 [0,1,0,0,0,1|2,0,0]=4 518 B14R2.601 Cc1cc2c(s1)C=C(C(=O)O)SC2 Amb20528461 [0,1,0,0,0,1|2,0,0]=4 519 B14R2.601 Cc1cc2ccc(C(=O)O)cc2s1 Amb27659261 [0,1,0,0,0,1|2,0,0]=4 520 B14R2.601 Cc1cc2cnc(C(=O)O)cc2s1 Amb18190373 [0,1,0,0,0,1|1,0,1]=4 521 B14R2.601 Cc1nc2cc(C(=O)O)ccc2o1 Amb8629962 [0,1,0,0,0,1|1,1,0]=4 522 B14R2.601 Cc1nc2cc(C(=O)O)ccc2s1 Amb8056357 [0,1,0,0,0,1|1,0,0]=3 523 B14R2.601 Cc1nc2cc(C(=O)O)cnc2o1 Amb21965102 [0,1,0,0,0,1|1,1,0]=4 524 B14R2.601 Cc1nc2cc(C(=O)O)cnc2s1 Amb18190019 [0,1,0,0,0,1|1,0,0]=3 525 B14R2.601 Cc1nc2cc(C(=O)O)ncc2s1 Amb18189948 [0,1,0,0,0,1|1,0,0]=3 526 B14R2.601 Cc1nc2ccc(C(=O)Cl)cc2s1 Amb22394888 [0,1,0,0,0,1|2,0,0]=4 527 B14R2.601 Cc1nc2ccc(C(=O)O)cc2o1 Amb8629961 [0,1,0,0,0,1|1,1,0]=4 528 B14R2.601 Cc1nc2ccc(C(=O)O)cc2s1 Amb2608733 [0,1,0,0,0,1|1,0,0]=3 529 B14R2.601 Cc1nc2ccc(C(N)=O)cc2s1 Amb23402200 [0,1,0,0,0,1|2,0,0]=4 530 B14R2.601 Cc1nc2cnc(C(=O)O)cc2s1 Amb18189993 [0,1,0,0,0,1|0,0,1]=3 531 B14R2.601 Cc1nc2ncc(C(=O)O)cc2o1 Amb27760865 [0,1,0,0,0,1|0,1,1]=4 532 B14R2.601 N=C1Nc2ccc(C(=O)O)cc2S1 Amb22047473 [0,1,0,0,0,1|1,0,1]=4 533 B14R2.601 NC(=O)c1ccc2nc(Br)sc2c1 Amb23437126 [0,1,0,0,0,1|2,0,0]=4 534 B14R2.601 NC(=O)c1ccc2nc(Cl)sc2c1 Amb23006034 [0,1,0,0,0,1|2,0,0]=4 535 B14R2.601 NC(=O)c1ccc2nc(N)sc2c1 Amb6336188 [0,1,0,0,0,1|2,0,0]=4 536 B14R2.601 NC1=Nc2cc(C(=O)O)ccc2C1 Amb27964269 [0,1,0,0,0,1|2,0,0]=4 537 B14R2.601 Nc1[nH+]c2ccc(C(=O)O)cc2s1 Amb10889800 [0,1,0,0,0,1|1,0,1]=4 538 B14R2.601 Nc1cc2ncc(C(=O)O)cc2s1 Amb18189943 [0,1,0,0,0,1|1,0,1]=4 539 B14R2.601 Nc1nc2cc(C(=O)O)ccc2o1 Amb23527683 [0,1,0,0,0,1|1,1,0]=4 540 B14R2.601 Nc1nc2cc(C(=O)O)ccc2s1 Amb22586690 [0,1,0,0,0,1|1,0,0]=3 541 B14R2.601 Nc1nc2cc(C(=O)O)ccc2s1 Amb3941333 [0,1,0,0,0,1|1,0,0]=3 542 B14R2.601 Nc1nc2cc(C(=O)O)cnc2o1 Amb27209630 [0,1,0,0,0,1|1,1,0]=4 543 B14R2.601 Nc1nc2ccc(C(=O)Cl)cc2s1 Amb22370490 [0,1,0,0,0,1|2,0,0]=4 544 B14R2.601 Nc1nc2ccc(C(=O)Cl)cc2s1 Amb28990349 [0,1,0,0,0,1|2,0,0]=4 545 B14R2.601 Nc1nc2ccc(C(=O)O)cc2o1 Amb19515264 [0,1,0,0,0,1|1,1,0]=4 546 B14R2.601 Nc1nc2ccc(C(=O)O)cc2s1 Amb6315692 [0,1,0,0,0,1|1,0,0]=3 547 B14R2.601 Nc1nc2ccc(C(=O)O)cc2s1 Amb6573081 [0,1,0,0,0,1|1,0,0]=3 548 B14R2.601 Nc1nc2ccc(C(=O)[O-])cc2s1 Amb1323337 [0,1,0,0,0,1|1,0,1]=4 549 B14R2.601 Nc1nc2ncc(C(=O)O)cc2o1 Amb33804863 [0,1,0,0,0,1|0,1,1]=4 550 B14R2.601 Nc1nc2ncc(C(=O)O)cc2s1 Amb28044448 [0,1,0,0,0,1|0,0,1]=3 551 B14R2.601 O=C(Cl)c1ccc2sc(Cl)nc2c1 Amb27246887 [0,1,0,0,0,1|2,0,0]=4 552 B14R2.601 O=C(O)c1ccc2cc(Cl)sc2c1 Amb28323589 [0,1,0,0,0,1|2,0,0]=4 553 B14R2.601 O=C(O)c1ccc2cc(O)sc2c1 Amb28051727 [0,1,0,0,0,1|2,0,0]=4 554 B14R2.601 O=C(O)c1ccc2nc(Br)oc2c1 Amb26500517 [0,1,0,0,0,1|1,1,0]=4 555 B14R2.601 O=C(O)c1ccc2nc(Br)sc2c1 Amb10602026 [0,1,0,0,0,1|1,0,0]=3 556 B14R2.601 O=C(O)c1ccc2nc(Cl)sc2c1 Amb2786652 [0,1,0,0,0,1|1,0,0]=3 557 B14R2.601 O=C(O)c1ccc2nc(F)oc2c1 Amb26568162 [0,1,0,0,0,1|1,1,0]=4 558 B14R2.601 O=C(O)c1ccc2nc(F)sc2c1 Amb26513311 [0,1,0,0,0,1|1,0,0]=3 559 B14R2.601 O=C(O)c1ccc2nc(I)oc2c1 Amb26907603 [0,1,0,0,0,1|1,1,0]=4 560 B14R2.601 O=C(O)c1ccc2nc(I)sc2c1 Amb27203408 [0,1,0,0,0,1|1,0,0]=3 561 B14R2.601 O=C(O)c1ccc2nc(O)sc2c1 Amb2608736 [0,1,0,0,0,1|1,0,0]=3 562 B14R2.601 O=C(O)c1ccc2nc(S)oc2c1 Amb19515488 [0,1,0,0,0,1|1,1,0]=4 563 B14R2.601 O=C(O)c1ccc2nc(S)sc2c1 Amb4058794 [0,1,0,0,0,1|1,0,0]=3 564 B14R2.601 O=C(O)c1ccc2oc(Cl)nc2c1 Amb24054160 [0,1,0,0,0,1|1,1,0]=4 565 B14R2.601 O=C(O)c1ccc2oc(F)nc2c1 Amb27782237 [0,1,0,0,0,1|1,1,0]=4 566 B14R2.601 O=C(O)c1ccc2oc(I)nc2c1 Amb28133107 [0,1,0,0,0,1|1,1,0]=4 567 B14R2.601 O=C(O)c1ccc2oc(S)nc2c1 Amb6373368 [0,1,0,0,0,1|1,1,0]=4 568 B14R2.601 O=C(O)c1ccc2sc(Br)nc2c1 Amb23401180 [0,1,0,0,0,1|1,0,0]=3 569 B14R2.601 O=C(O)c1ccc2sc(Cl)nc2c1 Amb23401179 [0,1,0,0,0,1|1,0,0]=3 570 B14R2.601 O=C(O)c1ccc2sc(S)nc2c1 Amb4301320 [0,1,0,0,0,1|1,0,0]=3 571 B14R2.601 O=C(O)c1cnc2nc(Br)sc2c1 Amb27872716 [0,1,0,0,0,1|0,0,1]=3 572 B14R2.601 O=C(O)c1cnc2oc(Br)nc2c1 Amb27959045 [0,1,0,0,0,1|1,1,0]=4 573 B14R2.601 O=C(O)c1cnc2oc(Cl)nc2c1 Amb27959046 [0,1,0,0,0,1|1,1,0]=4 574 B14R2.601 O=C(O)c1cnc2sc(Br)nc2c1 Amb27816872 [0,1,0,0,0,1|1,0,0]=3 575 B14R2.601 O=C1Cc2ccc(C(=O)O)cc2S1 Amb27441895 [0,1,0,0,0,1|2,0,0]=4 576 B14R2.601 O=C1N=C2SC=C(C(=O)O)C=C2S1 Amb20655428 [0,1,0,0,0,1|1,0,0]=3 577 B14R2.601 O=C1N=c2ccc(C(=O)O)cc2=N1 Amb2719009 [0,1,0,0,0,1|2,0,0]=4 578 B14R2.601 O=C1Oc2ccc(C(=O)O)cc2S1 Amb27494987 [0,1,0,0,0,1|2,0,0]=4 579 B14R2.624 Cc1cc2ccsc2cc1C(=O)O Amb18129953 [0,1,0,0,0,1|2,0,0]=4 580 B14R2.624 Cc1nc2ccsc2cc1C(=O)O Amb4560311 [0,1,0,0,0,1|1,0,1]=4 581 B14R2.624 O=C(O)C1=Cc2ccsc2NC1=O Amb18189567 [0,1,0,0,0,1|2,0,0]=4 582 B14R2.624 O=C(O)c1cc2c(cc1Cl)N=CC2 Amb8439656 [0,1,0,0,0,1|2,0,0]=4 583 B14R2.624 O=C(O)c1cc2ccsc2cc1F Amb27179315 [0,1,0,0,0,1|2,0,0]=4 584 B14R2.624 O=C(O)c1cc2ccsc2oc1=O Amb5720013 [0,1,0,0,0,1|2,0,0]=4 585 B14R2.624 O=C(O)c1cc2sccc2cc1O Amb28196458 [0,1,0,0,0,1|2,0,0]=4 586 B14R2.624 O=C(O)c1cc2sccc2nc1Cl Amb18657514 [0,1,0,0,0,1|1,0,1]=4 587 B14R2.624 O=C(O)c1cc2scnc2cc1Br Amb28071653 [0,1,0,0,0,1|1,0,0]=3 588 B14R2.624 O=C(O)c1cc2scnc2cc1Cl Amb27259599 [0,1,0,0,0,1|1,0,0]=3 589 B14R2.966 COC(=O)c1cc2sccc2cn1 Amb24394334 [0,1,0,0,0,1|1,0,1]=4 590 B14R2.966 COC(=O)c1ccc2ncoc2c1 Amb21857275 [0,1,0,0,0,1|1,1,0]=4 591 B14R2.966 COC(=O)c1ccc2ncsc2c1 Amb21963755 [0,1,0,0,0,1|1,0,0]=3 592 B14R2.966 COC(=O)c1ccc2nnsc2c1 Amb1774427 [0,1,0,0,0,1|2,0,0]=4 593 B14R2.966 COC(=O)c1ccc2ocnc2c1 Amb2608775 [0,1,0,0,0,1|1,1,0]=4 594 B14R2.966 COC(=O)c1ccc2sccc2c1 Amb25121220 [0,1,0,0,0,1|2,0,0]=4 595 B14R2.966 COC(=O)c1ccc2sccc2n1 Amb26304282 [0,1,0,0,0,1|1,0,1]=4 596 B14R2.966 COC(=O)c1ccc2scnc2c1 Amb22234456 [0,1,0,0,0,1|1,0,0]=3 597 B14R2.966 COC(=O)c1ccc2snnc2c1 Amb2724702 [0,1,0,0,0,1|2,0,0]=4 598 B14R2.966 COC(=O)c1cnc2ncoc2c1 Amb32691509 [0,1,0,0,0,1|0,1,1]=4 599 B14R2.966 COC(=O)c1cnc2sccc2c1 Amb27433490 [0,1,0,0,0,1|2,0,0]=4 600 B14R2.966 NNC(=O)c1ccc2ncsc2c1 Amb8858471 [0,1,0,0,0,1|2,0,0]=4 601 B14R2.966 O=C(CO)c1ccc2ncoc2c1 Amb25776931 [0,1,0,0,0,1|1,1,0]=4 602 B14R2.966 O=C(NO)c1ccc2sccc2c1 Amb28204798 [0,1,0,0,0,1|2,0,0]=4 603 B14R2.966 O\N=C(/Cl)c1ccc2ncsc2c1 Amb34913795 [0,1,0,0,0,1|2,0,0]=4 604 B14R2.5719 Cc1csc2c1CSC(C(=O)O)=C2 Amb20528462 [0,1,0,0,0,1|2,0,0]=4 605 B14R2.5719 Cc1csc2cc(C(=O)O)ccc12 Amb18129952 [0,1,0,0,0,1|2,0,0]=4 606 B14R2.5719 Cc1csc2cc(C(=O)O)cnc12 Amb26039327 [0,1,0,0,0,1|1,0,1]=4 607 B14R2.5719 Cn1cnc2cc(C(=O)O)ccc21 Amb1087932 [0,1,0,0,0,1|2,0,0]=4 608 B14R2.5719 Cn1cnc2cc(C(=O)O)ccc21 Amb22587260 [0,1,0,0,0,1|2,0,0]=4 609 B14R2.5719 Cn1cnc2cc(C(=O)O)ccc21 Amb32653603 [0,1,0,0,0,1|2,0,0]=4 610 B14R2.5719 Cn1cnc2cc(C(=O)O)cnc21 Amb13890226 [0,1,0,0,0,1|2,0,0]=4 611 B14R2.5719 Cn1cnc2cc(C(=O)O)cnc21 Amb22587275 [0,1,0,0,0,1|2,0,0]=4 612 B14R2.5719 Cn1cnc2cc(C(=O)O)ncc21 Amb18196324 [0,1,0,0,0,1|2,0,0]=4 613 B14R2.5719 Cn1cnc2cc(C(=O)O)ncc21 Amb33484291 [0,1,0,0,0,1|2,0,0]=4 614 B14R2.5998 Cc1c(C(=O)O)ccc2ccsc12 Amb27447863 [0,1,0,0,0,1|2,0,0]=4 615 B14R2.5998 Cc1c(C(=O)O)ccc2sccc12 Amb22900933 [0,1,0,0,0,1|2,0,0]=4 616 B14R2.5998 Cc1c(C(=O)O)cnc2ccsc12 Amb27461413 [0,1,0,0,0,1|1,0,1]=4 617 B14R2.5998 Nc1c(C(=O)O)cnc2sccc12 Amb27861129 [0,1,0,0,0,1|2,0,0]=4 618 B14R2.5998 O=C(O)C1=CN=C2SC=NN2C1=O Amb20652070 [0,1,0,0,0,1|2,0,0]=4 619 B14R2.5998 O=C(O)C1=CNc2ccoc2C1=O Amb18195018 [0,1,0,0,0,1|1,1,0]=4 620 B14R2.5998 O=C(O)C1=CNc2ccsc2C1=O Amb18189571 [0,1,0,0,0,1|1,0,0]=3 621 B14R2.5998 O=C(O)C1=CNc2ncnn2C1=O Amb19516689 [0,1,0,0,0,1|2,0,0]=4 622 B14R2.5998 O=C(O)C1=CNc2scnc2C1=O Amb27162774 [0,1,0,0,0,1|1,0,0]=3 623 B14R2.5998 O=C(O)C1=NNc2ncnn2C1=O Amb18128782 [0,1,0,0,0,1|2,0,0]=4 624 B14R2.5998 O=C(O)c1ccc2ccsc2c1O Amb24488905 [0,1,0,0,0,1|2,0,0]=4 625 B14R2.5998 O=C(O)c1ccc2sccc2c1O Amb26585217 [0,1,0,0,0,1|2,0,0]=4 626 B14R2.5998 O=C(O)c1cnc2ccsc2c1Cl Amb22490909 [0,1,0,0,0,1|1,0,1]=4 627 B14R2.5998 O=C(O)c1cnc2sccc2c1Cl Amb18173790 [0,1,0,0,0,1|2,0,0]=4 628 B14R2.5998 O=C(O)c1ncc2ccsc2c1O Amb27215073 [0,1,0,0,0,1|1,0,1]=4 629 B14R2.8824 Cc1cc(C(=O)O)cc2ncoc12 Amb18560472 [0,1,0,0,0,1|1,1,0]=4 630 B14R2.8824 Cc1cc(C(=O)O)cc2scnc12 Amb27428973 [0,1,0,0,0,1|1,0,0]=3 631 B14R2.8824 Cc1nc(C(=O)O)cc2sccc12 Amb18190335 [0,1,0,0,0,1|1,0,1]=4 632 B14R2.8824 O=C(O)C1=Cc2ccsc2C(=O)N1 Amb18652073 [0,1,0,0,0,1|2,0,0]=4 633 B14R2.8824 O=C(O)C1=Cc2sccc2C(=O)N1 Amb18130172 [0,1,0,0,0,1|1,0,0]=3 634 B14R2.8824 O=C(O)C1=Nc2ccsc2C(=O)N1 Amb18813376 [0,1,0,0,0,1|1,0,1]=4 635 B14R2.8824 O=C(O)C1=Nc2sccc2C(=O)N1 Amb18542374 [0,1,0,0,0,1|2,0,0]=4 636 B14R2.8824 O=C(O)c1cc(Br)c2ncsc2c1 Amb27193236 [0,1,0,0,0,1|1,0,0]=3 637 B14R2.8824 O=C(O)c1cc(Cl)c2ccsc2c1 Amb27246845 [0,1,0,0,0,1|2,0,0]=4 638 B14R2.8824 O=C(O)c1cc(Cl)c2ncoc2c1 Amb28129258 [0,1,0,0,0,1|1,1,0]=4 639 B14R2.8824 O=C(O)c1cc(Cl)c2sccc2n1 Amb27859843 [0,1,0,0,0,1|1,0,1]=4 640 B14R2.8824 O=C(O)c1cc(O)c2ccsc2c1 Amb18669674 [0,1,0,0,0,1|2,0,0]=4 641 B14R2.8824 O=C(O)c1cc(O)c2sccc2c1 Amb23585427 [0,1,0,0,0,1|2,0,0]=4 642 B14R2.24358 Cc1csc2ccc(C(=O)O)cc12 Amb2614626 [0,1,0,0,0,1|2,0,0]=4 643 B14R2.24358 Cn1cnc2ccc(C(=O)O)cc21 Amb10602455 [0,1,0,0,0,1|2,0,0]=4 644 B14R2.24358 Cn1cnc2cnc(C(=O)O)cc21 Amb17617501 [0,1,0,0,0,1|1,0,1]=4 645 B14R2.24358 Cn1cnc2cnc(C(=O)O)cc21 Amb33484285 [0,1,0,0,0,1|1,0,1]=4 646 B14R2.24358 Nc1csc2ccc(C(=O)O)cc12 Amb33306882 [0,1,0,0,0,1|2,0,0]=4 647 B14R2.24358 Nc1csc2ncc(C(=O)O)cc12 Amb18189940 [0,1,0,0,0,1|2,0,0]=4 648 B14R2.24358 O=C(O)C1=CNC2=NNC(=O)C2=C1 Amb33550052 [0,1,0,0,0,1|2,0,0]=4 649 B14R2.24358 O=C(O)c1cc2c(Br)csc2cn1 Amb27237226 [0,1,0,0,0,1|2,0,0]=4 650 B14R2.24358 O=C(O)c1ccc2scc(Br)c2c1 Amb27263705 [0,1,0,0,0,1|2,0,0]=4 651 B14R2.24358 O=C(O)c1ccc2scc(O)c2c1 Amb33306879 [0,1,0,0,0,1|2,0,0]=4 652 B14R2.450 Cc1c(C(=O)O)oc2cnccc12 Amb27863433 [0,1,0,0,0,1|2,0,0]=4 653 B14R2.450 Cc1c(C(=O)O)sc2ncccc12 Amb27433246 [0,1,0,0,0,1|2,0,0]=4 654 B14R2.450 Cn1c(C(=O)O)cc2ccccc21 Amb1832457 [0,1,0,0,0,1|2,0,0]=4 655 B14R2.450 Cn1c(C(=O)O)cc2cccnc21 Amb18147767 [0,1,0,0,0,1|1,0,0]=3 656 B14R2.450 Cn1c(C(=O)O)cc2ccncc21 Amb24069757 [0,1,0,0,0,1|1,0,0]=3 657 B14R2.450 Cn1c(C(=O)O)cc2cncnc21 Amb18680931 [0,1,0,0,0,1|1,0,0]=3 658 B14R2.450 Cn1c(C(=O)O)nc2cccnc21 Amb8009398 [0,1,0,0,0,1|2,0,0]=4 659 B14R2.450 Cn1c(C(=O)O)nc2ccncc21 Amb28128262 [0,1,0,0,0,1|2,0,0]=4 660 B14R2.450 Nc1c(C(=O)O)oc2ncccc12 Amb18683855 [0,1,0,0,0,1|2,0,0]=4 661 B14R2.450 Nc1c(C(=O)O)sc2cnccc12 Amb18189949 [0,1,0,0,0,1|2,0,0]=4 662 B14R2.450 Nc1c(C(=O)O)sc2ncccc12 Amb1915158 [0,1,0,0,0,1|2,0,0]=4 663 B14R2.450 Nc1c(C(=O)O)sc2nccnc12 Amb2724994 [0,1,0,0,0,1|2,0,0]=4 664 B14R2.450 Nc1c(C(=O)O)sc2ncncc12 Amb18680435 [0,1,0,0,0,1|2,0,0]=4 665 B14R2.450 O=C(O)c1oc2cnccc2c1Br Amb27209753 [0,1,0,0,0,1|2,0,0]=4 666 B14R2.450 O=C(O)c1oc2ncccc2c1O Amb27409737 [0,1,0,0,0,1|2,0,0]=4 667 B14R2.450 O=C(O)c1oc2nccnc2c1Cl Amb18187857 [0,1,0,0,0,1|2,0,0]=4 668 B14R2.450 O=C(O)c1sc2ncccc2c1Br Amb18692442 [0,1,0,0,0,1|2,0,0]=4 669 B14R2.450 O=C(O)c1sc2ncccc2c1Cl Amb5721089 [0,1,0,0,0,1|2,0,0]=4 670 B14R2.450 O=C(O)c1sc2nccnc2c1Cl Amb18173914 [0,1,0,0,0,1|2,0,0]=4 671 B14R2.972 COC(=O)c1cc2cccnc2s1 Amb10975342 [0,1,0,0,0,1|2,0,0]=4 672 B14R2.972 COC(=O)c1cc2ccncc2s1 Amb20075908 [0,1,0,0,0,1|2,0,0]=4 673 B14R2.972 COC(=O)c1cc2cncnc2s1 Amb26449250 [0,1,0,0,0,1|2,0,0]=4 674 B14R2.972 COC(=O)c1cc2nccnc2s1 Amb24179185 [0,1,0,0,0,1|2,0,0]=4 675 B14R2.4529 CC1=CC=N2C=C(C(=O)O)NC2=N1 Amb31128509 [0,1,0,0,0,1|2,0,0]=4 676 B14R2.4529 Cc1ccc2cc(C(=O)O)sc2n1 Amb18190384 [0,1,0,0,0,1|2,0,0]=4 677 B14R2.4529 Cc1cnc2cc(C(=O)O)sc2n1 Amb18815172 [0,1,0,0,0,1|2,0,0]=4 678 B14R2.4529 Cc1cnc2sc(C(=O)O)cc2c1 Amb28369962 [0,1,0,0,0,1|2,0,0]=4 679 B14R2.4529 Cc1ncc2cc(C(=O)O)oc2n1 Amb18145767 [0,1,0,0,0,1|2,0,0]=4 680 B14R2.4529 Cc1ncc2cc(C(=O)O)sc2n1 Amb18680454 [0,1,0,0,0,1|2,0,0]=4 681 B14R2.4529 Cc1ncc2sc(C(=O)O)cc2n1 Amb18189946 [0,1,0,0,0,1|2,0,0]=4 682 B14R2.4529 Nc1cnc2sc(C(=O)O)cc2c1 Amb18190022 [0,1,0,0,0,1|2,0,0]=4 683 B14R2.4529 Nc1ncc2cc(C(=O)O)sc2n1 Amb26576201 [0,1,0,0,0,1|2,0,0]=4 684 B14R2.4529 O=C(O)c1cc2cc(Br)cnc2s1 Amb26512877 [0,1,0,0,0,1|2,0,0]=4 685 B14R2.4529 O=C(O)c1cc2cc(Cl)ncc2o1 Amb27748849 [0,1,0,0,0,1|2,0,0]=4 686 B14R2.4529 O=C(O)c1cc2cc(F)cnc2s1 Amb32655501 [0,1,0,0,0,1|2,0,0]=4 687 B14R2.4529 O=C(O)c1cc2ccc(Cl)nc2o1 Amb18130437 [0,1,0,0,0,1|2,0,0]=4 688 B14R2.4529 O=C(O)c1cc2ccc(Cl)nc2s1 Amb32655496 [0,1,0,0,0,1|2,0,0]=4 689 B14R2.4529 O=C(O)c1cc2ccc(F)nc2s1 Amb32679673 [0,1,0,0,0,1|2,0,0]=4 690 B14R2.4529 O=C(O)c1cc2ccc(O)nc2s1 Amb33742098 [0,1,0,0,0,1|2,0,0]=4 691 B14R2.4529 O=C(O)c1cc2cnc(Cl)nc2s1 Amb25331284 [0,1,0,0,0,1|2,0,0]=4 692 B14R2.4529 O=C(O)c1cc2nc(Cl)cnc2s1 Amb27592898 [0,1,0,0,0,1|2,0,0]=4 693 B14R2.4529 O=C(O)c1cc2ncc(Cl)nc2o1 Amb18187858 [0,1,0,0,0,1|2,0,0]=4 694 B14R2.4529 O=C(O)c1cc2ncc(Cl)nc2s1 Amb18173917 [0,1,0,0,0,1|2,0,0]=4 695 B14R2.4529 O=C1C=C2C=C(C(=O)O)NC2=CN1 Amb27984992 [0,1,0,0,0,1|1,0,1]=4 696 B14R2.4529 O=C1C=Nc2sc(C(=O)O)cc2N1 Amb27623858 [0,1,0,0,0,1|2,0,0]=4 697 B14R2.4529 O=C1CSc2cc(C(=O)O)sc2N1 Amb18147772 [0,1,0,0,0,1|1,0,1]=4 698 B14R2.7969 Cc1ccnc2oc(C(=O)O)cc12 Amb18683844 [0,1,0,0,0,1|2,0,0]=4 699 B14R2.7969 Cc1ccnc2sc(C(=O)O)cc12 Amb18147615 [0,1,0,0,0,1|2,0,0]=4 700 B14R2.7969 Cc1ncnc2oc(C(=O)O)cc12 Amb18145735 [0,1,0,0,0,1|2,0,0]=4 701 B14R2.7969 Cc1ncnc2sc(C(=O)O)cc12 Amb18145654 [0,1,0,0,0,1|2,0,0]=4 702 B14R2.7969 Nc1ccnc2sc(C(=O)O)cc12 Amb27636519 [0,1,0,0,0,1|2,0,0]=4 703 B14R2.7969 Nc1cncc2sc(C(=O)O)cc12 Amb18190021 [0,1,0,0,0,1|2,0,0]=4 704 B14R2.7969 Nc1ncnc2sc(C(=O)O)cc12 Amb27623211 [0,1,0,0,0,1|2,0,0]=4 705 B14R2.7969 O=C(O)C1=CN2=C(O)C=CN=C2N1 Amb31128506 [0,1,0,0,0,1|2,0,0]=4 706 B14R2.7969 O=C(O)C1=CN2C(=O)C=CN=C2N1 Amb18194986 [0,1,0,0,0,1|2,0,0]=4 707 B14R2.7969 O=C(O)c1cc2c(Br)cncc2s1 Amb22170152 [0,1,0,0,0,1|2,0,0]=4 708 B14R2.7969 O=C(O)c1cc2c(Cl)ccnc2s1 Amb33549375 [0,1,0,0,0,1|2,0,0]=4 709 B14R2.7969 O=C(O)c1cc2c(Cl)cncc2o1 Amb18188192 [0,1,0,0,0,1|2,0,0]=4 710 B14R2.7969 O=C(O)c1cc2c(Cl)cncc2s1 Amb25366041 [0,1,0,0,0,1|2,0,0]=4 711 B14R2.7969 O=C(O)c1cc2c(Cl)ncnc2s1 Amb22737460 [0,1,0,0,0,1|2,0,0]=4 712 B14R2.7969 O=C(O)c1cc2c(F)cncc2s1 Amb24087198 [0,1,0,0,0,1|2,0,0]=4 713 B14R2.7969 O=C(O)c1cc2c(s1)N=CNC2=O Amb18189071 [0,1,0,0,0,1|2,0,0]=4 714 B14R2.7969 O=C(O)c1cc2ccnc(Cl)c2s1 Amb26314011 [0,1,0,0,0,1|2,0,0]=4 715 B14R2.7969 O=C(O)c1cc2ncnc(Cl)c2s1 Amb19958502 [0,1,0,0,0,1|2,0,0]=4 716 B14R2.2918 Cn1c(CC(=O)O)cn2ccnc12 Amb18194837 [0,1,0,0,0,1|2,0,0]=4 717 B14R2.5615 Cn1cnc2sc(CC(=O)O)cc21 Amb18189006 [0,1,0,0,0,1|2,0,0]=4 718 B14R2.648 CN1C(C(=O)O)=CN2CC(=O)N=C21 Amb35679372 [0,2,0,0,0,0|2,0,0]=4 719 B14R2.648 Cc1cc2c(cc(C(=O)O)n2C)o1 Amb19890412 [0,2,0,0,0,0|1,1,0]=4 720 B14R2.648 Cc1cc2c(cc(C(=O)O)n2C)s1 Amb16679456 [0,2,0,0,0,0|1,0,0]=3 721 B14R2.648 Cc1cc2oc(C(=O)O)c(N)c2s1 Amb18677853 [0,2,0,0,0,0|2,0,0]=4 722 B14R2.648 Cc1cc2sc(C(=O)O)c(C)c2s1 Amb2642767 [0,2,0,0,0,0|2,0,0]=4 723 B14R2.648 Cc1cc2sc(C(=O)O)c(N)c2s1 Amb18143684 [0,2,0,0,0,0|2,0,0]=4 724 B14R2.648 Cc1nc2c(C)c(C(=O)O)sc2s1 Amb18174823 [0,2,0,0,0,0|2,0,0]=4 725 B14R2.648 Cc1nc2c(cc(C(=O)O)n2C)s1 Amb27955140 [0,2,0,0,0,0|0,0,0]=2 726 B14R2.648 Cn1c(C(=O)O)cc2nc(Br)sc21 Amb27585564 [0,2,0,0,0,0|2,0,0]=4 727 B14R2.648 Cn1c(C(=O)O)cc2sc(Br)cc21 Amb20528081 [0,2,0,0,0,0|1,0,0]=3 728 B14R2.648 Cn1c(C(=O)O)cn2cc(O)nc12 Amb35710173 [0,2,0,0,0,0|2,0,0]=4 729 B14R2.707 Cc1sc2cc(C(=O)O)oc2c1C Amb18143652 [0,2,0,0,0,0|2,0,0]=4 730 B14R2.1194 CCc1cc2sc(C(=O)O)cc2s1 Amb18677877 [0,2,0,0,0,0|2,0,0]=4 731 B14R2.1194 CNc1cc2sc(C(=O)O)cc2s1 Amb33495833 [0,2,0,0,0,0|2,0,0]=4 732 B14R2.1194 COc1cc2sc(C(=O)O)cc2s1 Amb18172377 [0,2,0,0,0,0|2,0,0]=4 733 B14R2.1194 COc1nc2sc(C(=O)O)cc2s1 Amb25034302 [0,2,0,0,0,0|1,0,0]=3 734 B14R2.1194 O=Cc1cc2sc(C(=O)O)cc2s1 Amb33495836 [0,2,0,0,0,0|2,0,0]=4 735 B14R2.10815 COC(=O)c1cc2sc(N)nc2s1 Amb2797419 [0,2,0,0,0,0|1,0,0]=3 736 B14R2.839 CCOC(=O)c1cc2ccnc2n1 Amb35825155 [0,2,0,0,0,0|1,0,1]=4 737 B14R2.839 CCOC(=O)c1cc2ncnc2n1 Amb27832817 [0,2,0,0,0,0|1,0,1]=4 738 B14R2.970 CNC(=O)c1cc2sccc2n1C Amb16197412 [0,2,0,0,0,0|2,0,0]=4 739 B14R2.970 COC(=O)c1cc2occc2n1C Amb4038124 [0,2,0,0,0,0|1,1,0]=4 740 B14R2.970 COC(=O)c1cc2occc2n1N Amb27434424 [0,2,0,0,0,0|1,1,0]=4 741 B14R2.970 COC(=O)c1cc2sccc2n1C Amb2723687 [0,2,0,0,0,0|1,0,0]=3 742 B14R2.10637 COC(=O)c1cc2scc(Br)c2s1 Amb33299261 [0,2,0,0,0,0|2,0,0]=4 743 B14R2.10637 COC(=O)c1cc2scc(Cl)c2s1 Amb2611770 [0,2,0,0,0,0|2,0,0]=4 744 B14R2.4281 CCn1c(C(=O)O)cc2ccsc21 Amb23450796 [0,2,0,0,0,0|2,0,0]=4 745 B14R2.4281 CCn1c(C(=O)O)cc2occc21 Amb7748849 [0,2,0,0,0,0|1,1,0]=4 746 B14R2.4281 CCn1c(C(=O)O)cc2sccc21 Amb7656826 [0,2,0,0,0,0|1,0,0]=3 747 B14R2.5617 Cn1c(C(=O)O)cn2c(Br)cnc12 Amb28040757 [0,2,0,0,0,0|2,0,0]=4 748 B14R2.5617 Cn1ccc2c1cc(C(=O)O)n2C Amb19890427 [0,2,0,0,0,0|2,0,0]=4 749 B14R2.5617 O=C(O)c1sc2c(Br)csc2c1I Amb27648914 [0,2,0,0,0,0|2,0,0]=4 750 B14R2.5748 Cn1c(C(=O)O)cc2scc(Cl)c21 Amb23447071 [0,2,0,0,0,0|1,0,0]=3 751 B14R2.6000 Cc1c(C(=O)O)n(C)c2sccc12 Amb18189482 [0,2,0,0,0,0|2,0,0]=4 752 B14R2.2327 C=Cn1cnc2sc(C(=O)O)cc21 Amb28239804 [0,2,0,0,0,0|2,0,0]=4 753 B14R2.2327 O=Cc1csc2cc(C(=O)O)sc12 Amb18175697 [0,2,0,0,0,0|2,0,0]=4 754 B12R2.100 Cc1cc2ncsc2cc1N Amb18828735 [0,0,1,1,0,0|2,0,0]=4 755 B12R2.100 Nc1cc2scnc2cc1F Amb26057524 [0,0,1,1,0,0|2,0,0]=4 756 B12R2.1362 O=C(O)c1ccc2sccn12 Amb18199524 [0,0,1,1,0,0|2,0,0]=4 757 B12R2.1362 O=C(O)c1csc2nccn12 Amb18862747 [0,0,1,1,0,0|2,0,0]=4 758 B12R2.1362 O=C(O)c1csc2nccn12 Amb33189327 [0,0,1,1,0,0|2,0,0]=4 759 B12R2.1362 O=C(O)c1scc2sccc12 Amb27467652 [0,0,1,1,0,0|2,0,0]=4 760 B10R1.23 C=C(C(=O)O)c1ccco1 Amb26317937 [0,0,1,0,1,0|2,0,0]=4 761 B10R1.23 C=C(C(=O)O)c1cccs1 Amb17322162 [0,0,1,0,1,0|2,0,0]=4 762 B10R1.23 C=C(C(=O)O)c1ccoc1 Amb28052846 [0,0,1,0,1,0|1,1,0]=4 763 B10R1.23 C=C(C(=O)O)c1ccon1 Amb33197561 [0,0,1,0,1,0|2,0,0]=4 764 B10R1.23 C=C(C(=O)O)c1ccsc1 Amb33428918 [0,0,1,0,1,0|1,0,0]=3 765 B10R1.23 C=C(C(=O)O)c1cnco1 Amb33414803 [0,0,1,0,1,0|1,1,0]=4 766 B10R1.23 C=C(C(=O)O)c1cncs1 Amb33269090 [0,0,1,0,1,0|1,0,0]=3 767 B10R1.23 C=C(C(=O)O)c1cscn1 Amb33417853 [0,0,1,0,1,0|0,0,0]=2 768 B10R1.23 C=C(C(=O)O)c1csnn1 Amb33321620 [0,0,1,0,1,0|1,0,0]=3 769 B10R1.23 C=C(C(=O)O)c1nccs1 Amb33372249 [0,0,1,0,1,0|2,0,0]=4 770 B10R1.23 CC(C(=O)O)c1cncs1 Amb23580683 [0,0,1,0,1,0|1,0,1]=4 771 B10R1.23 CC(C(=O)O)c1cscn1 Amb26398902 [0,0,1,0,1,0|0,0,2]=4 772 B10R1.23 NC(C(=O)O)c1cccs1 Amb1840251 [0,0,1,0,1,0|1,0,1]=4 773 B10R1.23 NC(C(=O)O)c1cnco1 Amb18202656 [0,0,1,0,1,0|0,1,1]=4 774 B10R1.23 NC(C(=O)O)c1cncs1 Amb18830497 [0,0,1,0,1,0|0,0,1]=3 775 B10R1.23 NC(C(=O)O)c1cscn1 Amb18645003 [0,0,1,0,1,0|1,0,1]=4 776 B10R1.23 NC(C(=O)O)c1cscn1 Amb35788158 [0,0,1,0,1,0|1,0,1]=4 777 B10R1.23 N[C@@H](C(=O)O)c1cccs1 Amb22747193 [0,0,1,0,1,0|1,0,1]=4 778 B10R1.23 N[C@H](C(=O)O)c1cccs1 Amb2694806 [0,0,1,0,1,0|1,0,1]=4 779 B10R1.23 N[C@H](C(=O)O)c1cncs1 Amb28136968 [0,0,1,0,1,0|0,0,1]=3 780 B10R1.23 O=C(O)C(=O)c1cccs1 Amb3940404 [0,0,1,0,1,0|2,0,0]=4 781 B10R1.23 O=C(O)C(=O)c1ccsc1 Amb18644784 [0,0,1,0,1,0|2,0,0]=4 782 B10R1.23 O=C(O)C(=O)c1cnco1 Amb33415276 [0,0,1,0,1,0|1,1,0]=4 783 B10R1.23 O=C(O)C(=O)c1cncs1 Amb18830659 [0,0,1,0,1,0|1,0,0]=3 784 B10R1.23 O=C(O)C(=O)c1cscn1 Amb18644891 [0,0,1,0,1,0|1,0,0]=3 785 B10R1.23 O=C(O)C(=O)c1csnn1 Amb33321949 [0,0,1,0,1,0|2,0,0]=4 786 B10R1.23 O=C(O)C(F)c1cncs1 Amb29878194 [0,0,1,0,1,0|1,0,1]=4 787 B10R1.23 O=C(O)C(F)c1cscn1 Amb25767685 [0,0,1,0,1,0|1,0,1]=4 788 B10R1.64 Cc1ncsc1CC(=O)O Amb8385791 [0,0,1,0,1,0|1,0,1]=4 789 B10R1.64 Nc1ccsc1CC(=O)O Amb22499925 [0,0,1,0,1,0|1,0,1]=4 790 B10R1.64 O=C(O)Cc1ncsc1Br Amb28384629 [0,0,1,0,1,0|1,0,1]=4 791 B10R1.64 O=C(O)Cc1scnc1Br Amb18161023 [0,0,1,0,1,0|1,0,1]=4 792 B10R1.348 CC(=O)C1=CC=CC=CN1 Amb25921212 [0,0,1,0,1,0|2,0,0]=4 793 B10R1.348 O=C(O)C1=CC=CC=CC1 Amb27948020 [0,0,1,0,1,0|2,0,0]=4 794 B10R1.348 O=C(O)C1=CC=CC=CO1 Amb27453492 [0,0,1,0,1,0|2,0,0]=4 795 B10R1.348 O=C(O)C1=CC=CCC=C1 Amb27425007 [0,0,1,0,1,0|2,0,0]=4 796 B10R1.348 O=C(O)C1=CCC=CC=C1 Amb28118852 [0,0,1,0,1,0|2,0,0]=4 797 B10R1.348 O=C(O)C1=COC=CN=C1 Amb28126709 [0,0,1,0,1,0|2,0,0]=4 798 B12R1.43 C=C(Cc1cccnc1)C(=O)O Amb26636551 [0,0,1,0,0,1|2,0,0]=4 799 B12R1.43 C\C(=C/c1cccnc1)C(=O)O Amb30584915 [0,0,1,0,0,1|2,0,0]=4 800 B12R1.43 C\C(=C/c1cccnc1)C(=O)O Amb5743927 [0,0,1,0,0,1|2,0,0]=4 801 B12R1.43 C\C(=C/c1ccncc1)C(=O)O Amb30584913 [0,0,1,0,0,1|2,0,0]=4 802 B12R1.43 C\C(=C/c1ccncc1)C(=O)O Amb5743928 [0,0,1,0,0,1|2,0,0]=4 803 B12R1.43 C\C(=C/c1cncnc1)C(=O)O Amb27755121 [0,0,1,0,0,1|2,0,0]=4 804 B12R1.43 C\C(=C\c1cccnc1)C(=O)O Amb27837141 [0,0,1,0,0,1|2,0,0]=4 805 B12R1.43 C\C(=C\c1ccncc1)C(=O)O Amb27882270 [0,0,1,0,0,1|2,0,0]=4 806 B12R1.43 C\C(=C\c1cnccn1)C(=O)O Amb27622051 [0,0,1,0,0,1|2,0,0]=4 807 B12R1.43 N\C(=C/c1ccccc1)C(=O)O Amb24081025 [0,0,1,0,0,1|2,0,0]=4 808 B12R1.43 N\C(=C/c1ccncn1)C(=O)O Amb24390213 [0,0,1,0,0,1|1,0,0]=3 809 B12R1.43 N\C(=C\c1ccccc1)C(=O)O Amb27148014 [0,0,1,0,0,1|2,0,0]=4 810 B12R1.43 N\C(=C\c1ccccn1)C(=O)O Amb27770994 [0,0,1,0,0,1|2,0,0]=4 811 B12R1.43 N\C(=C\c1cnccn1)C(=O)O Amb27624449 [0,0,1,0,0,1|1,0,0]=3 812 B12R1.43 O=C(O)C(=O)Nc1ccccn1 Amb9303802 [0,0,1,0,0,1|2,0,0]=4 813 B12R1.43 O=C(O)C(=O)Nc1cccnc1 Amb9303807 [0,0,1,0,0,1|2,0,0]=4 814 B12R1.43 O=C(O)C(=O)Nc1ncccn1 Amb9303944 [0,0,1,0,0,1|2,0,0]=4 815 B12R1.43 O=C(O)\C(Cl)=C\c1cccnc1 Amb26448364 [0,0,1,0,0,1|2,0,0]=4 816 B12R1.43 O=C(O)\C(F)=C\c1cccnc1 Amb17614474 [0,0,1,0,0,1|2,0,0]=4 817 B12R1.43 O=C(O)\C(F)=C\c1cccnc1 Amb31339126 [0,0,1,0,0,1|2,0,0]=4 818 B12R1.43 O=C(O)\C(F)=C\c1cnccn1 Amb35600945 [0,0,1,0,0,1|2,0,0]=4 819 B12R1.43 O=C(O)\C(S)=C\c1ccncc1 Amb1761003 [0,0,1,0,0,1|2,0,0]=4 820 B12R1.260 NC(CC(=O)O)Cc1cncs1 Amb18822048 [0,0,1,0,0,1|0,0,2]=4 821 B12R1.260 O=C(O)CC(=O)Nc1csnn1 Amb35582446 [0,0,1,0,0,1|2,0,0]=4 822 B12R1.264 C=C(CCc1ccsc1)C(=O)O Amb33321205 [0,0,1,0,0,1|2,0,0]=4 823 B12R1.264 O=C(O)C(=O)NCc1ccsc1 Amb28067357 [0,0,1,0,0,1|2,0,0]=4 824 B12R1.264 O=C(O)C(=O)NCc1cncs1 Amb25842941 [0,0,1,0,0,1|1,0,1]=4 825 B12R1.264 O=C(O)C(=O)NCc1cocn1 Amb28256430 [0,0,1,0,0,1|1,1,0]=4 826 B12R1.264 O=C(O)C(=O)NCc1cscn1 Amb24483507 [0,0,1,0,0,1|1,0,0]=3 827 B12R1.264 O=C(O)C(=O)\C=C\c1cccs1 Amb445455 [0,0,1,0,0,1|2,0,0]=4 828 B12R1.264 O=C(O)C(=O)\C=C\c1cncs1 Amb27169812 [0,0,1,0,0,1|1,0,0]=3 829 B12R1.264 O=C(O)C(=O)\C=C\c1cscn1 Amb28345502 [0,0,1,0,0,1|2,0,0]=4 830 B12R1.125 Cc1cnccc1\C=C\C(=O)O Amb30584980 [0,0,1,0,0,1|2,0,0]=4 831 B12R1.125 Cc1ncccc1\C=C\C(=O)O Amb28653059 [0,0,1,0,0,1|2,0,0]=4 832 B12R1.125 Cc1ncccc1\C=C\C(=O)O Amb32662803 [0,0,1,0,0,1|2,0,0]=4 833 B12R1.125 Cc1nccnc1\C=C\C(=O)O Amb35600937 [0,0,1,0,0,1|2,0,0]=4 834 B12R1.125 Cc1ncncc1\C=C\C(=O)O Amb27193885 [0,0,1,0,0,1|2,0,0]=4 835 B12R1.125 Cc1nnccc1\C=C\C(=O)O Amb33470115 [0,0,1,0,0,1|2,0,0]=4 836 B12R1.125 Nc1ccccc1\C=C\C(=O)O Amb17777291 [0,0,1,0,0,1|2,0,0]=4 837 B12R1.125 Nc1cnccc1\C=C\C(=O)O Amb4560900 [0,0,1,0,0,1|1,0,0]=3 838 B12R1.125 Nc1ncccc1\C=C\C(=O)O Amb2697575 [0,0,1,0,0,1|1,0,0]=3 839 B12R1.125 O=C(O)\C=C\c1cccnc1Br Amb33451204 [0,0,1,0,0,1|2,0,0]=4 840 B12R1.125 O=C(O)\C=C\c1cccnc1F Amb33473819 [0,0,1,0,0,1|2,0,0]=4 841 B12R1.125 O=C(O)\C=C\c1ccncc1Br Amb18659757 [0,0,1,0,0,1|2,0,0]=4 842 B12R1.125 O=C(O)\C=C\c1ccncc1Cl Amb33261635 [0,0,1,0,0,1|2,0,0]=4 843 B12R1.125 O=C(O)\C=C\c1ccncc1F Amb26946507 [0,0,1,0,0,1|2,0,0]=4 844 B12R1.125 O=C(O)\C=C\c1ncncc1Br Amb33470080 [0,0,1,0,0,1|2,0,0]=4 845 B12R1.130 Cc1ccsc1\C=C\CC(=O)O Amb23441800 [0,0,1,0,0,1|2,0,0]=4 846 B12R1.226 Cc1cc(\C=C\C(=O)O)ccn1 Amb32953957 [0,0,1,0,0,1|2,0,0]=4 847 B12R1.226 Cc1cc(\C=C\C(=O)O)ncn1 Amb27224407 [0,0,1,0,0,1|2,0,0]=4 848 B12R1.226 Cc1nccc(\C=C\C(=O)O)n1 Amb23592256 [0,0,1,0,0,1|2,0,0]=4 849 B12R1.226 Nc1cccc(\C=C\C(=O)O)c1 Amb34916041 [0,0,1,0,0,1|2,0,0]=4 850 B12R1.226 O=C(O)\C=C\c1ccnc(Br)c1 Amb19929893 [0,0,1,0,0,1|2,0,0]=4 851 B12R1.226 O=C(O)\C=C\c1ccnc(Cl)c1 Amb20668239 [0,0,1,0,0,1|2,0,0]=4 852 B12R1.226 O=C(O)\C=C\c1ccnc(O)c1 Amb24682988 [0,0,1,0,0,1|2,0,0]=4 853 B12R2.32 O=Cc1cc2cccnc2o1 Amb18202346 [1,0,0,0,0,1|2,0,0]=4 854 B12R2.32 O=Cc1cc2cccnc2s1 Amb2723081 [1,0,0,0,0,1|2,0,0]=4 855 B12R2.32 O=Cc1cc2ccncc2s1 Amb13890511 [1,0,0,0,0,1|2,0,0]=4 856 B12R2.32 O=Cc1cc2cncnc2s1 Amb18828876 [1,0,0,0,0,1|2,0,0]=4 857 B12R2.32 O=Cc1cc2nccnc2o1 Amb18831410 [1,0,0,0,0,1|2,0,0]=4 858 B12R2.32 O=Cc1cc2nccnc2s1 Amb2723506 [1,0,0,0,0,1|2,0,0]=4 859 B12R2.32 O=Cc1cc2ncncc2o1 Amb18831403 [1,0,0,0,0,1|2,0,0]=4 860 B12R2.32 O=Cc1cc2ncncc2s1 Amb18828881 [1,0,0,0,0,1|2,0,0]=4 861 B12R2.44 O=CC1=CNC2=NCCC2=C1 Amb24644913 [1,0,0,0,0,1|1,0,1]=4 862 B12R2.44 O=Cc1cc2ccsc2cn1 Amb18199797 [1,0,0,0,0,1|2,0,0]=4 863 B12R2.44 O=Cc1ccc2ccsc2c1 Amb18126339 [1,0,0,0,0,1|2,0,0]=4 864 B12R2.44 O=Cc1ccc2ncoc2c1 Amb18831439 [1,0,0,0,0,1|1,1,0]=4 865 B12R2.44 O=Cc1ccc2ncsc2c1 Amb18829272 [1,0,0,0,0,1|1,0,0]=3 866 B12R2.44 O=Cc1ccc2nnsc2c1 Amb27836815 [1,0,0,0,0,1|2,0,0]=4 867 B12R2.44 O=Cc1ccc2ocnc2c1 Amb18831438 [1,0,0,0,0,1|1,1,0]=4 868 B12R2.44 O=Cc1ccc2sccc2c1 Amb1995220 [1,0,0,0,0,1|2,0,0]=4 869 B12R2.44 O=Cc1ccc2sccc2n1 Amb18829270 [1,0,0,0,0,1|1,0,1]=4 870 B12R2.44 O=Cc1ccc2scnc2c1 Amb18199800 [1,0,0,0,0,1|1,0,0]=3 871 B12R2.44 O=Cc1ccc2scnc2n1 Amb27634066 [1,0,0,0,0,1|0,0,1]=3 872 B12R2.44 O=Cc1ccc2snnc2c1 Amb2723137 [1,0,0,0,0,1|2,0,0]=4 873 B12R2.44 O=Cc1cnc2ccsc2c1 Amb18645861 [1,0,0,0,0,1|1,0,1]=4 874 B12R2.44 O=Cc1cnc2ncoc2c1 Amb18202277 [1,0,0,0,0,1|0,1,1]=4 875 B12R2.44 O=Cc1cnc2ncsc2c1 Amb18828875 [1,0,0,0,0,1|0,0,1]=3 876 B12R2.44 O=Cc1cnc2scnc2c1 Amb18199774 [1,0,0,0,0,1|1,0,0]=3 877 B12R2.44 O=Cc1cnc2snnc2c1 Amb18199717 [1,0,0,0,0,1|2,0,0]=4 878 B12R2.44 OCc1ccc2ncsc2c1 Amb13892050 [1,0,0,0,0,1|1,0,1]=4 879 B12R2.44 OCc1ccc2scnc2c1 Amb21963740 [1,0,0,0,0,1|1,0,1]=4 880 B14R2.781 O=C(O)C1=CNC2=NCCOC2=C1 Amb25061197 [0,0,0,0,0,2|0,1,1]=4 881 B14R2.781 O=C(O)C1=CSc2ccccc2N1 Amb27179145 [0,0,0,0,0,2|2,0,0]=4 882 B14R2.781 O=C(O)C1=Cc2ccccc2SN1 Amb22228836 [0,0,0,0,0,2|2,0,0]=4 883 B14R2.781 O=C(O)c1cc2cccnc2cn1 Amb18197838 [0,0,0,0,0,2|1,0,1]=4 884 B14R2.781 O=C(O)c1cc2ccncc2cn1 Amb18197836 [0,0,0,0,0,2|1,0,1]=4 885 B14R2.781 O=C(O)c1cc2ccnnc2cn1 Amb18197500 [0,0,0,0,0,2|1,0,1]=4 886 B14R2.781 O=C(O)c1cc2cnccc2cn1 Amb18197811 [0,0,0,0,0,2|2,0,0]=4 887 B14R2.781 O=C(O)c1cc2ncnnc2cn1 Amb18197078 [0,0,0,0,0,2|1,0,1]=4 888 B14R2.781 O=C(O)c1cc2nnccc2cn1 Amb18197501 [0,0,0,0,0,2|2,0,0]=4 889 B14R2.781 O=C(O)c1cc2nncnc2cn1 Amb18197079 [0,0,0,0,0,2|1,0,1]=4 890 B14R2.781 O=C(O)c1ccc2cccnc2c1 Amb2548374 [0,0,0,0,0,2|2,0,0]=4 891 B14R2.781 O=C(O)c1ccc2cccnc2n1 Amb2567493 [0,0,0,0,0,2|1,0,1]=4 892 B14R2.781 O=C(O)c1ccc2cccnc2n1 Amb2691468 [0,0,0,0,0,2|1,0,1]=4 893 B14R2.781 O=C(O)c1ccc2cccnc2n1 Amb34202999 [0,0,0,0,0,2|1,0,1]=4 894 B14R2.781 O=C(O)c1ccc2ccncc2c1 Amb8009842 [0,0,0,0,0,2|2,0,0]=4 895 B14R2.781 O=C(O)c1ccc2ccncc2n1 Amb21962775 [0,0,0,0,0,2|1,0,1]=4 896 B14R2.781 O=C(O)c1ccc2cnccc2c1 Amb33542741 [0,0,0,0,0,2|2,0,0]=4 897 B14R2.781 O=C(O)c1ccc2cncnc2c1 Amb23439150 [0,0,0,0,0,2|2,0,0]=4 898 B14R2.781 O=C(O)c1ccc2cncnc2n1 Amb18197502 [0,0,0,0,0,2|1,0,1]=4 899 B14R2.781 O=C(O)c1ccc2ncccc2c1 Amb10553803 [0,0,0,0,0,2|2,0,0]=4 900 B14R2.781 O=C(O)c1ccc2ncccc2c1 Amb6335229 [0,0,0,0,0,2|2,0,0]=4 901 B14R2.781 O=C(O)c1ccc2nccnc2c1 Amb1209684 [0,0,0,0,0,2|2,0,0]=4 902 B14R2.781 O=C(O)c1ccc2nccnc2n1 Amb2795876 [0,0,0,0,0,2|1,0,1]=4 903 B14R2.781 O=C(O)c1ccc2ncncc2c1 Amb10604067 [0,0,0,0,0,2|2,0,0]=4 904 B14R2.781 O=C(O)c1ccc2nnccc2c1 Amb25368925 [0,0,0,0,0,2|2,0,0]=4 905 B14R2.781 O=C(O)c1cnc2cccnc2c1 Amb9174242 [0,0,0,0,0,2|2,0,0]=4 906 B14R2.781 O=C(O)c1cnc2ccncc2c1 Amb9701811 [0,0,0,0,0,2|2,0,0]=4 907 B14R2.781 O=C(O)c1cnc2cnccc2c1 Amb20248674 [0,0,0,0,0,2|1,0,1]=4 908 B14R2.781 O=C(O)c1cnc2cncnc2n1 Amb27837159 [0,0,0,0,0,2|1,0,1]=4 909 B14R2.781 O=C(O)c1cnc2ncccc2c1 Amb2795317 [0,0,0,0,0,2|1,0,1]=4 910 B14R2.781 O=C(O)c1cnc2nccnc2c1 Amb2795885 [0,0,0,0,0,2|1,0,1]=4 911 B14R2.781 O=C(O)c1cnc2nncnc2c1 Amb27971482 [0,0,0,0,0,2|1,0,1]=4 912 B14R2.781 O=C(O)c1ncc2ccncc2n1 Amb27969520 [0,0,0,0,0,2|1,0,1]=4 913 B14R2.1008 CC(=O)Cc1ccc2scnc2c1 Amb18243977 [0,0,0,0,0,2|2,0,0]=4 914 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 Amb2667821 [0,0,0,0,0,2|2,0,0]=4 915 B14R2.1008 CC(=O)Nc1ccc2scnc2c1 Amb33038211 [0,0,0,0,0,2|2,0,0]=4 916 B14R2.1008 CC(=O)Oc1ccc2ncsc2c1 Amb27441917 [0,0,0,0,0,2|2,0,0]=4 917 B14R2.1008 CC(=O)Oc1ccc2scnc2c1 Amb28203139 [0,0,0,0,0,2|2,0,0]=4 918 B14R2.1008 NC(=O)Cc1ccc2scnc2c1 Amb18243986 [0,0,0,0,0,2|2,0,0]=4 919 B14R2.1008 NC(=O)Nc1ccc2scnc2c1 Amb27771686 [0,0,0,0,0,2|2,0,0]=4 920 B14R2.1008 O=C(Cl)Nc1ccc2ncsc2c1 Amb35625542 [0,0,0,0,0,2|2,0,0]=4 921 B14R2.1008 O=C(O)Cc1ccc2ncoc2c1 Amb17131033 [0,0,0,0,0,2|1,1,0]=4 922 B14R2.1008 O=C(O)Cc1ccc2ncsc2c1 Amb17107991 [0,0,0,0,0,2|1,0,0]=3 923 B14R2.1008 O=C(O)Cc1ccc2ocnc2c1 Amb2420231 [0,0,0,0,0,2|1,1,0]=4 924 B14R2.1008 O=C(O)Cc1ccc2sccc2c1 Amb27179279 [0,0,0,0,0,2|2,0,0]=4 925 B14R2.1008 O=C(O)Cc1ccc2sccc2n1 Amb26511623 [0,0,0,0,0,2|1,0,1]=4 926 B14R2.1008 O=C(O)Cc1ccc2scnc2c1 Amb18244026 [0,0,0,0,0,2|1,0,0]=3 927 B14R2.1008 O=C(O)Cc1cnc2ccsc2c1 Amb24330809 [0,0,0,0,0,2|1,0,1]=4 928 B14R2.1008 O=C(O)Cc1cnc2ncoc2c1 Amb18195674 [0,0,0,0,0,2|0,1,1]=4 929 B14R2.1008 O=C(O)Cc1cnc2ncsc2c1 Amb18815169 [0,0,0,0,0,2|0,0,1]=3 930 B14R2.1008 O=C(O)Cc1cnc2sccc2c1 Amb27478074 [0,0,0,0,0,2|2,0,0]=4 931 B14R2.1008 O=C(O)Cc1ncc2sccc2n1 Amb18190003 [0,0,0,0,0,2|1,0,1]=4 932 B14R2.768 O=C(O)Cc1cc2cccnc2s1 Amb18190325 [0,0,0,0,0,2|2,0,0]=4 933 B14R2.768 O=C(O)Cc1cc2ccncc2o1 Amb18196457 [0,0,0,0,0,2|2,0,0]=4 934 B14R2.768 O=C(O)Cc1cc2cncnc2s1 Amb18815170 [0,0,0,0,0,2|2,0,0]=4 935 B14R2.768 O=C(O)Cc1cc2ncncc2o1 Amb18195719 [0,0,0,0,0,2|2,0,0]=4 936 B14R2.768 O=C(O)Cc1cc2ncncc2s1 Amb18815167 [0,0,0,0,0,2|2,0,0]=4 937 B14R2.770 O=C(O)C#Cc1cc2sccc2s1 Amb28364339 [0,0,0,0,0,2|2,0,0]=4 938 B14R2.770 O=C(O)CCc1cc2sccc2s1 Amb33470135 [0,0,0,0,0,2|2,0,0]=4 939 B14R2.770 O=C(O)\C=C\c1cc2sccc2s1 Amb33470021 [0,0,0,0,0,2|2,0,0]=4