0 B12R2.252 CC(=O)C1=Cc2cccn2C1 Amb27243839 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.252 CC(=O)c1cc2c(s1)CCO2 Amb18199285 [0,0,0,0,0,0|2,0,2]=4 2 B12R2.252 CC(=O)c1cc2c(s1)OCO2 Amb18198938 [0,0,0,0,0,0|3,0,1]=4 3 B12R2.252 CC(=O)c1cc2ccsc2s1 Amb18823587 [0,0,0,0,0,0|3,1,0]=4 4 B12R2.252 CC(=O)c1cc2cscc2s1 Amb30026590 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.252 CC(=O)c1cc2sccc2s1 Amb18823588 [0,0,0,0,0,0|2,1,0]=3 6 B12R2.252 NC(=O)c1cc2cscc2s1 Amb27459071 [0,0,0,0,0,0|4,0,0]=4 7 B12R2.252 NC(=O)c1cc2sccc2s1 Amb2766639 [0,0,0,0,0,0|2,1,0]=3 8 B12R2.252 O=C(Cl)c1cc2cscc2s1 Amb30026656 [0,0,0,0,0,0|4,0,0]=4 9 B12R2.252 O=C(Cl)c1cc2sccc2s1 Amb27823359 [0,0,0,0,0,0|2,1,0]=3 10 B12R2.252 O=C(Cl)c1cn2occc2n1 Amb10071446 [0,0,0,0,0,0|2,0,1]=3 11 B12R2.252 O=C(O)C1=CC2=C(CCC2)C1 Amb25743353 [0,0,0,0,0,0|2,0,2]=4 12 B12R2.252 O=C(O)C1=CC2=CCSC2=C1 Amb27231717 [0,0,0,0,0,0|1,1,1]=3 13 B12R2.252 O=C(O)C1Cc2ccsc2C1 Amb10603806 [0,0,0,0,0,0|1,1,2]=4 14 B12R2.252 O=C(O)C1Cc2cnoc2C1 Amb18201198 [0,0,0,0,0,0|2,0,2]=4 15 B12R2.252 O=C(O)C1Cc2sccc2N1 Amb27174646 [0,0,0,0,0,0|0,1,2]=3 16 B12R2.252 O=C(O)c1cc2c(o1)CCC2 Amb18685124 [0,0,0,0,0,0|2,0,2]=4 17 B12R2.252 O=C(O)c1cc2c(o1)CCN2 Amb18201183 [0,0,0,0,0,0|2,0,2]=4 18 B12R2.252 O=C(O)c1cc2c(o1)CNC2 Amb18201182 [0,0,0,0,0,0|3,0,1]=4 19 B12R2.252 O=C(O)c1cc2c(s1)CC=[SH]2 Amb27823330 [0,0,0,0,0,0|1,1,1]=3 20 B12R2.252 O=C(O)c1cc2c(s1)CCC2 Amb1106543 [0,0,0,0,0,0|2,0,2]=4 21 B12R2.252 O=C(O)c1cc2c(s1)CCN2 Amb18199099 [0,0,0,0,0,0|2,0,2]=4 22 B12R2.252 O=C(O)c1cc2c(s1)CCO2 Amb18198939 [0,0,0,0,0,0|1,0,2]=3 23 B12R2.252 O=C(O)c1cc2c(s1)CCS2 Amb18822007 [0,0,0,0,0,0|1,1,2]=4 24 B12R2.252 O=C(O)c1cc2c(s1)CNC2 Amb18199094 [0,0,0,0,0,0|3,0,1]=4 25 B12R2.252 O=C(O)c1cc2c(s1)CSC2 Amb21864734 [0,0,0,0,0,0|3,0,1]=4 26 B12R2.252 O=C(O)c1cc2c(s1)NCC2 Amb18199093 [0,0,0,0,0,0|3,0,1]=4 27 B12R2.252 O=C(O)c1cc2ccnc2n1 Amb26906005 [0,0,0,0,0,0|2,0,1]=3 28 B12R2.252 O=C(O)c1cc2ccoc2s1 Amb8010415 [0,0,0,0,0,0|2,0,0]=2 29 B12R2.252 O=C(O)c1cc2ccsc2s1 Amb2725725 [0,0,0,0,0,0|2,1,0]=3 30 B12R2.252 O=C(O)c1cc2cnoc2s1 Amb18199126 [0,0,0,0,0,0|3,0,0]=3 31 B12R2.252 O=C(O)c1cc2cnsc2o1 Amb18145510 [0,0,0,0,0,0|3,1,0]=4 32 B12R2.252 O=C(O)c1cc2cscc2s1 Amb25698283 [0,0,0,0,0,0|3,0,0]=3 33 B12R2.252 O=C(O)c1cc2n(n1)CCO2 Amb22803093 [0,0,0,0,0,0|1,0,3]=4 34 B12R2.252 O=C(O)c1cc2ncnc2n1 Amb18201805 [0,0,0,0,0,0|2,0,1]=3 35 B12R2.252 O=C(O)c1cc2nncc2n1 Amb18201800 [0,0,0,0,0,0|2,0,1]=3 36 B12R2.252 O=C(O)c1cc2nnsc2s1 Amb18191227 [0,0,0,0,0,0|4,0,0]=4 37 B12R2.252 O=C(O)c1cc2occc2s1 Amb19374510 [0,0,0,0,0,0|1,0,0]=1 38 B12R2.252 O=C(O)c1cc2occn2n1 Amb27642699 [0,0,0,0,0,0|1,0,1]=2 39 B12R2.252 O=C(O)c1cc2sccc2[se]1 Amb2611537 [0,0,0,0,0,0|1,1,0]=2 40 B12R2.252 O=C(O)c1cc2sccc2o1 Amb18143673 [0,0,0,0,0,0|1,1,0]=2 41 B12R2.252 O=C(O)c1cc2sccc2s1 Amb2234728 [0,0,0,0,0,0|1,1,0]=2 42 B12R2.252 O=C(O)c1cc2sccn2c1 Amb27860139 [0,0,0,0,0,0|2,1,0]=3 43 B12R2.252 O=C(O)c1cc2sccn2n1 Amb33456954 [0,0,0,0,0,0|1,1,1]=3 44 B12R2.252 O=C(O)c1cn2ccnc2s1 Amb22001489 [0,0,0,0,0,0|4,0,0]=4 45 B12R2.252 O=C(O)c1cn2ccsc2n1 Amb2688824 [0,0,0,0,0,0|3,0,1]=4 46 B12R2.252 O=C(O)c1cn2ccsc2n1 Amb33528845 [0,0,0,0,0,0|3,0,1]=4 47 B12R2.252 O=C(O)c1cn2cncc2s1 Amb18199330 [0,0,0,0,0,0|4,0,0]=4 48 B12R2.252 O=C(O)c1cn2nccc2o1 Amb27965828 [0,0,0,0,0,0|3,0,0]=3 49 B12R2.252 O=C(O)c1cn2occc2n1 Amb10071427 [0,0,0,0,0,0|1,0,1]=2 50 B12R2.252 OB(O)c1cc2sccc2s1 Amb21962630 [0,0,0,0,0,0|2,1,1]=4 51 B11R2.15 NCc1cc2occc2s1 Amb19515683 [1,0,0,0,0,0|2,0,1]=4 52 B11R2.15 O=CC1Cc2ccoc2C1 Amb18832480 [1,0,0,0,0,0|1,0,2]=4 53 B11R2.15 O=Cc1cc2c(s1)OCO2 Amb18830797 [1,0,0,0,0,0|2,0,1]=4 54 B11R2.15 O=Cc1cc2ccnc2n1 Amb27488076 [1,0,0,0,0,0|2,0,1]=4 55 B11R2.15 O=Cc1cc2ccsc2o1 Amb27839409 [1,0,0,0,0,0|2,1,0]=4 56 B11R2.15 O=Cc1cc2ccsc2s1 Amb4140122 [1,0,0,0,0,0|2,1,0]=4 57 B11R2.15 O=Cc1cc2cscc2s1 Amb24722245 [1,0,0,0,0,0|3,0,0]=4 58 B11R2.15 O=Cc1cc2ncnc2n1 Amb27782476 [1,0,0,0,0,0|2,0,1]=4 59 B11R2.15 O=Cc1cc2ncoc2s1 Amb18831154 [1,0,0,0,0,0|3,0,0]=4 60 B11R2.15 O=Cc1cc2oncc2o1 Amb18832420 [1,0,0,0,0,0|2,0,0]=3 61 B11R2.15 O=Cc1cc2oncc2s1 Amb18831159 [1,0,0,0,0,0|2,0,0]=3 62 B11R2.15 O=Cc1cc2sccc2s1 Amb2611536 [1,0,0,0,0,0|1,1,0]=3 63 B11R2.15 O=Cc1cc2sccn2c1 Amb28315767 [1,0,0,0,0,0|2,1,0]=4 64 B11R2.15 O=Cc1cc2scnc2s1 Amb28049890 [1,0,0,0,0,0|2,1,0]=4 65 B11R2.15 OCc1cc2sccc2s1 Amb22370975 [1,0,0,0,0,0|1,1,1]=4 66 B13R2.400 CC(=O)c1cc2sc(N)cc2s1 Amb18188360 [0,1,0,0,0,0|2,1,0]=4 67 B13R2.400 CC(=O)c1cc2sc(O)cc2s1 Amb18188028 [0,1,0,0,0,0|2,1,0]=4 68 B13R2.400 CC1=CC2NC(C(=O)O)=CC2O1 Amb27858235 [0,1,0,0,0,0|0,0,2]=3 69 B13R2.400 Cc1cc2oc(C(=O)O)cc2s1 Amb18677845 [0,1,0,0,0,0|1,1,0]=3 70 B13R2.400 Cc1cc2sc(C(=O)O)cc2s1 Amb2642763 [0,1,0,0,0,0|1,1,0]=3 71 B13R2.400 Cc1cc2sc(C(N)=O)cc2s1 Amb33495671 [0,1,0,0,0,0|2,1,0]=4 72 B13R2.400 Cc1nc2cc(C(=O)O)nc2n1 Amb18828583 [0,1,0,0,0,0|2,0,1]=4 73 B13R2.400 Nc1cc2cc(C(=O)O)sc2s1 Amb18187710 [0,1,0,0,0,0|2,1,0]=4 74 B13R2.400 Nc1cc2sc(C(=O)O)cc2s1 Amb18811184 [0,1,0,0,0,0|1,1,0]=3 75 B13R2.400 Nc1nc2sc(C(=O)O)cc2s1 Amb33538143 [0,1,0,0,0,0|2,1,0]=4 76 B13R2.400 Nc1nc2sc(C(=O)O)cc2s1 Amb845438 [0,1,0,0,0,0|2,1,0]=4 77 B13R2.400 O=C(Cl)c1cc2sc(Cl)cc2s1 Amb5720331 [0,1,0,0,0,0|2,1,0]=4 78 B13R2.400 O=C(O)c1cc2cc(Br)sc2s1 Amb33018586 [0,1,0,0,0,0|2,1,0]=4 79 B13R2.400 O=C(O)c1cc2cc(Cl)sc2s1 Amb2642664 [0,1,0,0,0,0|2,1,0]=4 80 B13R2.400 O=C(O)c1cc2sc(Br)cc2o1 Amb18714201 [0,1,0,0,0,0|1,1,0]=3 81 B13R2.400 O=C(O)c1cc2sc(Br)cc2s1 Amb18691820 [0,1,0,0,0,0|1,1,0]=3 82 B13R2.400 O=C(O)c1cc2sc(Cl)cc2s1 Amb2642665 [0,1,0,0,0,0|1,1,0]=3 83 B13R2.400 O=C(O)c1cc2sc(F)cc2s1 Amb2642738 [0,1,0,0,0,0|1,1,0]=3 84 B13R2.400 O=C(O)c1cc2sc(O)cc2s1 Amb18810773 [0,1,0,0,0,0|1,1,0]=3 85 B13R2.400 O=C1Cc2cc(C(=O)O)sc2N1 Amb18823401 [0,1,0,0,0,0|3,0,0]=4 86 B13R2.400 O=C1Cc2sc(C(=O)O)cc2N1 Amb18823402 [0,1,0,0,0,0|2,0,1]=4 87 B13R2.400 O=C1Nc2cc(C(=O)O)sc2N1 Amb18823015 [0,1,0,0,0,0|3,0,0]=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|3,0,0]=4 90 B13R2.531 CNC(=O)c1cc2occc2s1 Amb27762146 [0,1,0,0,0,0|2,0,0]=3 91 B13R2.531 CNC(=O)c1cc2sccc2s1 Amb26859538 [0,1,0,0,0,0|2,1,0]=4 92 B13R2.531 COC(=O)c1cc2ccnc2n1 Amb35825156 [0,1,0,0,0,0|2,0,1]=4 93 B13R2.531 COC(=O)c1cc2ccsc2o1 Amb27210184 [0,1,0,0,0,0|2,1,0]=4 94 B13R2.531 COC(=O)c1cc2cscc2s1 Amb22728314 [0,1,0,0,0,0|3,0,0]=4 95 B13R2.531 COC(=O)c1cc2n(c1)CC=C2 Amb27813453 [0,1,0,0,0,0|3,0,0]=4 96 B13R2.531 COC(=O)c1cc2occc2s1 Amb27178894 [0,1,0,0,0,0|1,0,0]=2 97 B13R2.531 COC(=O)c1cc2sccc2s1 Amb2766637 [0,1,0,0,0,0|1,1,0]=3 98 B13R2.531 COC(=O)c1cc2scnc2s1 Amb24178941 [0,1,0,0,0,0|2,1,0]=4 99 B13R2.531 NNC(=O)c1cc2sccc2s1 Amb2766638 [0,1,0,0,0,0|2,1,0]=4 100 B13R2.531 O=C(NO)c1cc2cscc2s1 Amb35739850 [0,1,0,0,0,0|3,0,0]=4 101 B13R2.531 O=C(NO)c1cc2sccc2s1 Amb27654906 [0,1,0,0,0,0|1,1,0]=3 102 B13R2.2334 CC(=O)c1cc2occc2n1C Amb18829465 [0,1,0,0,0,0|1,0,0]=2 103 B13R2.2334 CC(=O)c1oc2ccsc2c1N Amb18128889 [0,1,0,0,0,0|2,1,0]=4 104 B13R2.2334 Cc1c(C(=O)O)sc2cccn12 Amb27865503 [0,1,0,0,0,0|3,0,0]=4 105 B13R2.2334 Cc1c(C(=O)O)sc2ccsc12 Amb2642762 [0,1,0,0,0,0|1,1,0]=3 106 B13R2.2334 Cc1c(C(=O)O)sc2ncsc12 Amb30666584 [0,1,0,0,0,0|2,1,0]=4 107 B13R2.2334 Cn1c(C(=O)O)cc2c1CCC2 Amb32417005 [0,1,0,0,0,0|1,0,2]=4 108 B13R2.2334 Cn1c(C(=O)O)cc2c1CNC2 Amb18827911 [0,1,0,0,0,0|2,0,1]=4 109 B13R2.2334 Cn1c(C(=O)O)cc2ccsc21 Amb23450795 [0,1,0,0,0,0|2,0,0]=3 110 B13R2.2334 Cn1c(C(=O)O)cc2occc21 Amb17731499 [0,1,0,0,0,0|0,0,0]=1 111 B13R2.2334 Cn1c(C(=O)O)cc2sccc21 Amb2607662 [0,1,0,0,0,0|0,1,0]=2 112 B13R2.2334 Cn1c(C(=O)O)cc2scnc21 Amb25066967 [0,1,0,0,0,0|1,1,0]=3 113 B13R2.2334 Cn1c(C(=O)O)cn2ccnc12 Amb27753898 [0,1,0,0,0,0|3,0,0]=4 114 B13R2.2334 NC(=O)c1sc2ccsc2c1N Amb27748570 [0,1,0,0,0,0|2,1,0]=4 115 B13R2.2334 NC(=O)c1sc2ccsc2c1O Amb27215353 [0,1,0,0,0,0|2,1,0]=4 116 B13R2.2334 Nc1c(C(=O)O)oc2ccsc12 Amb18677857 [0,1,0,0,0,0|1,1,0]=3 117 B13R2.2334 Nc1c(C(=O)O)sc2ccsc12 Amb18677865 [0,1,0,0,0,0|1,1,0]=3 118 B13R2.2334 O=C(O)c1nc2cnnc2c1Br Amb28135523 [0,1,0,0,0,0|2,0,1]=4 119 B13R2.2334 O=C(O)c1oc2ccsc2c1Br Amb18714206 [0,1,0,0,0,0|1,1,0]=3 120 B13R2.2334 O=C(O)c1sc2c(c1Br)OCC2 Amb18155242 [0,1,0,0,0,0|1,0,2]=4 121 B13R2.2334 O=C(O)c1sc2sccc2c1Cl Amb1154136 [0,1,0,0,0,0|2,1,0]=4 122 B13R2.3678 CC(=O)c1cc2c(ccn2C)o1 Amb18829463 [0,1,0,0,0,0|3,0,0]=4 123 B13R2.3678 CC(=O)c1cc2c(ccn2C)s1 Amb18194422 [0,1,0,0,0,0|3,0,0]=4 124 B13R2.3678 Cc1nnc2cc(C(=O)O)nc12 Amb18828584 [0,1,0,0,0,0|2,0,1]=4 125 B13R2.3678 Cc1noc2oc(C(=O)O)cc12 Amb18827401 [0,1,0,0,0,0|3,0,0]=4 126 B13R2.3678 Cc1noc2sc(C(=O)O)cc12 Amb18823412 [0,1,0,0,0,0|3,0,0]=4 127 B13R2.3678 Cn1ccc2cc(C(=O)O)oc21 Amb18828611 [0,1,0,0,0,0|3,0,0]=4 128 B13R2.3678 Cn1ccc2cc(C(=O)O)sc21 Amb18824198 [0,1,0,0,0,0|3,0,0]=4 129 B13R2.3678 Cn1ccc2oc(C(=O)O)cc21 Amb18828608 [0,1,0,0,0,0|2,0,0]=3 130 B13R2.3678 Cn1ccc2sc(C(=O)O)cc21 Amb18824216 [0,1,0,0,0,0|2,0,0]=3 131 B13R2.3678 Cn1ccn2nc(C(=O)O)cc12 Amb28346681 [0,1,0,0,0,0|2,0,1]=4 132 B13R2.3678 Cn1cnc2oc(C(=O)O)cc21 Amb18827979 [0,1,0,0,0,0|3,0,0]=4 133 B13R2.3678 Cn1cnc2sc(C(=O)O)cc21 Amb18823812 [0,1,0,0,0,0|3,0,0]=4 134 B13R2.3678 O=C(O)C1=CC2OC=C(Br)C2N1 Amb28119077 [0,1,0,0,0,0|0,0,2]=3 135 B13R2.3678 O=C(O)c1cc2scc(Br)c2s1 Amb27801014 [0,1,0,0,0,0|1,1,0]=3 136 B13R2.3678 O=C(O)c1cc2scc(Cl)c2s1 Amb2611415 [0,1,0,0,0,0|1,1,0]=3 137 B11R1.35 C=C(Cc1ccco1)C(=O)O Amb27985009 [0,0,1,0,0,0|1,0,1]=3 138 B11R1.35 C=C(Cn1ccnc1)C(=O)O Amb26947670 [0,0,1,0,0,0|3,0,0]=4 139 B11R1.35 CC(=O)C(=O)Cc1ccco1 Amb25177671 [0,0,1,0,0,0|2,0,1]=4 140 B11R1.35 CC(=O)C(=O)Nc1ccsc1 Amb27484249 [0,0,1,0,0,0|2,1,0]=4 141 B11R1.35 CC(=O)\C(C)=C\c1ccco1 Amb33079023 [0,0,1,0,0,0|2,0,0]=3 142 B11R1.35 CC(=O)\C(C)=C\c1ccoc1 Amb27985419 [0,0,1,0,0,0|2,0,1]=4 143 B11R1.35 CC(Cc1ccco1)C(=O)O Amb33540750 [0,0,1,0,0,0|1,0,2]=4 144 B11R1.35 CC(Cc1ccoc1)C(=O)O Amb26970772 [0,0,1,0,0,0|1,0,2]=4 145 B11R1.35 C[C@H](Nc1ccsc1)C(=O)O Amb17912732 [0,0,1,0,0,0|0,1,2]=4 146 B11R1.35 C\C(=C/c1ccco1)C(=N)N Amb32953924 [0,0,1,0,0,0|3,0,0]=4 147 B11R1.35 C\C(=C/c1ccco1)C(=O)O Amb5743924 [0,0,1,0,0,0|1,0,0]=2 148 B11R1.35 C\C(=C/c1ccco1)C(N)=O Amb27231811 [0,0,1,0,0,0|2,0,0]=3 149 B11R1.35 C\C(=C/c1ccco1)C(N)=S Amb33197985 [0,0,1,0,0,0|2,1,0]=4 150 B11R1.35 C\C(=C/c1ccco1)[C@@H](C)O Amb33311658 [0,0,1,0,0,0|2,0,1]=4 151 B11R1.35 C\C(=C/c1ccco1)[C@H](C)O Amb33474941 [0,0,1,0,0,0|2,0,1]=4 152 B11R1.35 C\C(=C/c1ccco1)[N+](=O)[O-] Amb31267735 [0,0,1,0,0,0|2,0,1]=4 153 B11R1.35 C\C(=C/c1cccs1)C(=O)O Amb5743925 [0,0,1,0,0,0|1,1,0]=3 154 B11R1.35 C\C(=C/c1ccns1)C(=O)O Amb30013782 [0,0,1,0,0,0|2,1,0]=4 155 B11R1.35 C\C(=C/c1ccoc1)C(=O)O Amb27975673 [0,0,1,0,0,0|1,0,1]=3 156 B11R1.35 C\C(=C/c1cncs1)C(=O)O Amb27803283 [0,0,1,0,0,0|2,1,0]=4 157 B11R1.35 C\C(=C/c1cscn1)C(=O)O Amb27453159 [0,0,1,0,0,0|3,0,0]=4 158 B11R1.35 C\C(=C\c1ccco1)C(=N)N Amb27789869 [0,0,1,0,0,0|3,0,0]=4 159 B11R1.35 C\C(=C\c1ccco1)C(=O)O Amb4010273 [0,0,1,0,0,0|1,0,0]=2 160 B11R1.35 C\C(=C\c1ccco1)[N+](=O)[O-] Amb6374135 [0,0,1,0,0,0|2,0,1]=4 161 B11R1.35 C\C(=C\c1cccs1)C(=O)Cl Amb27952877 [0,0,1,0,0,0|2,1,0]=4 162 B11R1.35 C\C(=C\c1ccsc1)C(=O)O Amb28069074 [0,0,1,0,0,0|1,1,1]=4 163 B11R1.35 C\C(=C\c1nccs1)C(=O)O Amb27250230 [0,0,1,0,0,0|2,1,0]=4 164 B11R1.35 NC(=O)C(=O)Nc1ccon1 Amb27487081 [0,0,1,0,0,0|3,0,0]=4 165 B11R1.35 NC(=O)C(N)Cc1ccco1 Amb33066014 [0,0,1,0,0,0|1,0,2]=4 166 B11R1.35 NC(Cc1ccco1)C(=O)O Amb9724188 [0,0,1,0,0,0|0,0,2]=3 167 B11R1.35 NC(Cc1cccs1)C(=O)O Amb9720695 [0,0,1,0,0,0|0,1,2]=4 168 B11R1.35 NC(Cc1ccno1)C(=O)O Amb25891427 [0,0,1,0,0,0|1,0,2]=4 169 B11R1.35 NC(Cc1ccno1)C(=O)O Amb28652917 [0,0,1,0,0,0|1,0,2]=4 170 B11R1.35 NC(Cc1ccoc1)C(=O)O Amb21858415 [0,0,1,0,0,0|2,0,1]=4 171 B11R1.35 NC(Cc1cnco1)C(=O)O Amb33295162 [0,0,1,0,0,0|1,0,2]=4 172 B11R1.35 NC(Cc1ncco1)C(=O)O Amb18200255 [0,0,1,0,0,0|1,0,2]=4 173 B11R1.35 N[C@@H](Cc1ccco1)C(=O)O Amb10068214 [0,0,1,0,0,0|0,0,2]=3 174 B11R1.35 N[C@@H](Cc1ccco1)C(=O)O Amb31291682 [0,0,1,0,0,0|0,0,2]=3 175 B11R1.35 N[C@@H](Cc1cccs1)C(=O)O Amb10068210 [0,0,1,0,0,0|0,1,2]=4 176 B11R1.35 N[C@@H](Cc1cccs1)C(=O)O Amb22747410 [0,0,1,0,0,0|0,1,2]=4 177 B11R1.35 N[C@@H](Cc1ccno1)C(=O)O Amb25891409 [0,0,1,0,0,0|1,0,2]=4 178 B11R1.35 N[C@@H](Cc1ccoc1)C(=O)O Amb22228970 [0,0,1,0,0,0|2,0,1]=4 179 B11R1.35 N[C@H](Cc1ccco1)C(=O)O Amb10068215 [0,0,1,0,0,0|0,0,2]=3 180 B11R1.35 N[C@H](Cc1cccs1)C(=O)O Amb10068211 [0,0,1,0,0,0|0,1,2]=4 181 B11R1.35 N[C@H](Cc1ccoc1)C(=O)O Amb22228969 [0,0,1,0,0,0|2,0,1]=4 182 B11R1.35 N\C(=C/c1ccns1)C(=O)O Amb27883195 [0,0,1,0,0,0|1,1,0]=3 183 B11R1.35 N\C(=C/c1cncs1)C(=O)O Amb35608674 [0,0,1,0,0,0|1,1,0]=3 184 B11R1.35 N\C(=C/c1cnsc1)C(=O)O Amb35715807 [0,0,1,0,0,0|3,0,0]=4 185 B11R1.35 N\C(=C\c1ccco1)C(=O)O Amb27493744 [0,0,1,0,0,0|0,0,0]=1 186 B11R1.35 O=C(Cc1ccco1)C(O)=S Amb25871308 [0,0,1,0,0,0|1,1,1]=4 187 B11R1.35 O=C(O)C(=O)Cc1ccco1 Amb1137668 [0,0,1,0,0,0|1,0,1]=3 188 B11R1.35 O=C(O)C(=O)Cc1cccs1 Amb1135982 [0,0,1,0,0,0|1,1,1]=4 189 B11R1.35 O=C(O)C(=O)Cc1ccoc1 Amb26072039 [0,0,1,0,0,0|2,0,0]=3 190 B11R1.35 O=C(O)C(=O)Cc1ccon1 Amb33226166 [0,0,1,0,0,0|3,0,0]=4 191 B11R1.35 O=C(O)C(=O)Cc1ccsc1 Amb1133942 [0,0,1,0,0,0|2,1,0]=4 192 B11R1.35 O=C(O)C(=O)Cc1cnco1 Amb33415275 [0,0,1,0,0,0|2,0,1]=4 193 B11R1.35 O=C(O)C(=O)Nc1cccs1 Amb27450757 [0,0,1,0,0,0|2,1,0]=4 194 B11R1.35 O=C(O)C(=O)Nc1ccsc1 Amb27664522 [0,0,1,0,0,0|1,1,0]=3 195 B11R1.35 O=C(O)C(=O)Nc1cnsc1 Amb30015415 [0,0,1,0,0,0|2,1,0]=4 196 B11R1.35 O=C(O)C(=S)Cc1ccco1 Amb4026925 [0,0,1,0,0,0|1,0,1]=3 197 B11R1.35 O=C(O)C(=S)Cc1ccsc1 Amb27407692 [0,0,1,0,0,0|2,1,0]=4 198 B11R1.35 O=C(O)C(F)Cc1ccoc1 Amb27478909 [0,0,1,0,0,0|2,0,1]=4 199 B11R1.35 O=C(O)C(O)Cc1ccco1 Amb17138461 [0,0,1,0,0,0|1,0,2]=4 200 B11R1.35 O=C(O)C(O)Cc1ccoc1 Amb26952187 [0,0,1,0,0,0|2,0,1]=4 201 B11R1.35 O=C(O)\C(F)=C\c1cccs1 Amb27470240 [0,0,1,0,0,0|1,1,0]=3 202 B11R1.35 O=C(O)\C(F)=C\c1ccns1 Amb30013797 [0,0,1,0,0,0|2,1,0]=4 203 B11R1.48 C=Cc1nc(C(=O)O)cn1C Amb35736289 [0,0,1,0,0,0|2,0,1]=4 204 B11R1.48 C=Cc1oc(C(=O)O)cc1Br Amb35692562 [0,0,1,0,0,0|2,0,0]=3 205 B11R1.48 C=Cc1sc(C(=O)O)cc1C Amb27840318 [0,0,1,0,0,0|2,0,0]=3 206 B11R1.48 COc1cc(C(=O)O)oc1C Amb27397701 [0,0,1,0,0,0|1,0,2]=4 207 B11R1.48 COc1cc(C(=O)O)sc1Br Amb27635171 [0,0,1,0,0,0|2,0,1]=4 208 B11R1.48 Cc1cc(C(=O)O)sc1C=O Amb20528197 [0,0,1,0,0,0|3,0,0]=4 209 B11R1.48 O=Cc1oc(C(=O)O)cc1Br Amb27827768 [0,0,1,0,0,0|3,0,0]=4 210 B11R1.48 O=Cc1sc(C(=O)O)cc1Br Amb24180852 [0,0,1,0,0,0|3,0,0]=4 211 B11R1.90 CC(=O)\C=C\c1ccoc1C Amb33445886 [0,0,1,0,0,0|2,0,1]=4 212 B11R1.90 CC(=O)\C=C\c1occc1C Amb33358518 [0,0,1,0,0,0|2,0,0]=3 213 B11R1.90 CC(=O)\C=C\c1sccc1Br Amb27176258 [0,0,1,0,0,0|2,1,0]=4 214 B11R1.90 CC(=O)\C=C\c1sccc1C Amb33448507 [0,0,1,0,0,0|2,1,0]=4 215 B11R1.90 CC(=O)\C=C\c1sccc1Cl Amb33259263 [0,0,1,0,0,0|2,1,0]=4 216 B11R1.90 Cc1ccoc1CCC(=O)O Amb18200842 [0,0,1,0,0,0|1,0,2]=4 217 B11R1.90 Cc1ccoc1OCC(=O)O Amb33342797 [0,0,1,0,0,0|2,0,1]=4 218 B11R1.90 Cc1ccoc1\C=C\C(=O)O Amb28456772 [0,0,1,0,0,0|1,0,0]=2 219 B11R1.90 Cc1ccoc1\C=C\C(C)O Amb28284828 [0,0,1,0,0,0|2,0,1]=4 220 B11R1.90 Cc1ccoc1\C=C\[N+](=O)[O-] Amb33079958 [0,0,1,0,0,0|2,0,1]=4 221 B11R1.90 Cc1ccsc1\C=C/C(N)=O Amb27203317 [0,0,1,0,0,0|2,1,0]=4 222 B11R1.90 Cc1ccsc1\C=C\C(=O)O Amb1153084 [0,0,1,0,0,0|1,1,0]=3 223 B11R1.90 Cc1cnoc1\C=C\C(=O)O Amb28130063 [0,0,1,0,0,0|2,0,0]=3 224 B11R1.90 Cc1cocc1\C=C\C(=O)O Amb24617450 [0,0,1,0,0,0|3,0,0]=4 225 B11R1.90 Cc1conc1\C=C\C(=O)O Amb33470110 [0,0,1,0,0,0|3,0,0]=4 226 B11R1.90 Cc1cscc1\C=C\C(=O)O Amb26421314 [0,0,1,0,0,0|3,0,0]=4 227 B11R1.90 Cc1ncsc1\C=C\C(=O)O Amb33292464 [0,0,1,0,0,0|2,1,0]=4 228 B11R1.90 Cc1occc1C#CC(=O)O Amb28139983 [0,0,1,0,0,0|1,0,2]=4 229 B11R1.90 Cc1occc1OCC(=O)O Amb33274283 [0,0,1,0,0,0|1,0,2]=4 230 B11R1.90 Cc1occc1\C=C\C(=O)O Amb33171665 [0,0,1,0,0,0|1,0,1]=3 231 B11R1.90 Cc1oncc1\C=C\C(=O)O Amb33361682 [0,0,1,0,0,0|2,0,1]=4 232 B11R1.90 Cn1cccc1\C=C\C(=O)O Amb2371137 [0,0,1,0,0,0|3,0,0]=4 233 B11R1.90 Cn1ccnc1\C=C/C(=O)O Amb27470158 [0,0,1,0,0,0|3,0,0]=4 234 B11R1.90 Cn1ccnc1\C=C\C(=O)O Amb33171846 [0,0,1,0,0,0|3,0,0]=4 235 B11R1.90 O=C(O)C#Cc1occc1Br Amb27605486 [0,0,1,0,0,0|1,0,2]=4 236 B11R1.90 O=C(O)CCc1ccoc1Br Amb33470231 [0,0,1,0,0,0|2,0,1]=4 237 B11R1.90 O=C(O)CCc1ccoc1Cl Amb33470229 [0,0,1,0,0,0|2,0,1]=4 238 B11R1.90 O=C(O)CCc1occc1F Amb27823334 [0,0,1,0,0,0|1,0,2]=4 239 B11R1.90 O=C(O)CNc1ccsc1Cl Amb27424525 [0,0,1,0,0,0|1,1,1]=4 240 B11R1.90 O=C(O)\C=C\c1ccoc1Br Amb33470062 [0,0,1,0,0,0|2,0,0]=3 241 B11R1.90 O=C(O)\C=C\c1ccoc1Cl Amb33470060 [0,0,1,0,0,0|2,0,0]=3 242 B11R1.90 O=C(O)\C=C\c1ccsc1Br Amb33470113 [0,0,1,0,0,0|2,1,0]=4 243 B11R1.90 O=C(O)\C=C\c1cscc1Br Amb25075327 [0,0,1,0,0,0|3,0,0]=4 244 B11R1.90 O=C(O)\C=C\c1cscc1Cl Amb25700973 [0,0,1,0,0,0|3,0,0]=4 245 B11R1.90 O=C(O)\C=C\c1nccn1O Amb27751831 [0,0,1,0,0,0|3,0,0]=4 246 B11R1.90 O=C(O)\C=C\c1ncsc1Br Amb33470114 [0,0,1,0,0,0|3,0,0]=4 247 B11R1.90 O=C(O)\C=C\c1nscc1Br Amb33470111 [0,0,1,0,0,0|3,0,0]=4 248 B11R1.90 O=C(O)\C=C\c1sccc1Br Amb26004966 [0,0,1,0,0,0|1,1,0]=3 249 B11R1.90 O=C(O)\C=C\c1sccc1Cl Amb24100812 [0,0,1,0,0,0|1,1,0]=3 250 B11R1.90 O=C(O)\C=C\c1sccc1F Amb33470058 [0,0,1,0,0,0|1,1,0]=3 251 B11R1.90 O=C(O)\C=C\c1sccc1I Amb33470064 [0,0,1,0,0,0|1,1,0]=3 252 B11R1.90 O=C(O)\C=C\c1sncc1Br Amb33470128 [0,0,1,0,0,0|2,1,0]=4 253 B11R1.124 C=CCc1ccc(C(=O)O)o1 Amb27974261 [0,0,1,0,0,0|2,0,1]=4 254 B11R1.124 C=CCc1ccc(C(=O)O)s1 Amb27233618 [0,0,1,0,0,0|2,0,1]=4 255 B11R1.124 C=CCn1cnc(C(=O)O)c1 Amb18224299 [0,0,1,0,0,0|2,0,1]=4 256 B11R1.124 CC(=O)c1ccc(\C=N\O)o1 Amb25231495 [0,0,1,0,0,0|3,0,0]=4 257 B11R1.124 CCOc1csc(C(=O)O)c1 Amb6718269 [0,0,1,0,0,0|1,0,2]=4 258 B11R1.124 O=C(O)C1=CS\C(=C\C=S)S1 Amb27798251 [0,0,1,0,0,0|2,1,0]=4 259 B11R1.124 O=C(O)c1ccc(CCO)o1 Amb33213472 [0,0,1,0,0,0|1,0,2]=4 260 B11R1.124 O=C(O)c1ccc(\C=C\Br)s1 Amb33135034 [0,0,1,0,0,0|2,0,0]=3 261 B11R1.124 O=C(O)c1cnc(\C=N\O)s1 Amb32660945 [0,0,1,0,0,0|3,0,0]=4 262 B11R1.124 O=C(O)c1csc(\C=C\Br)c1 Amb33135297 [0,0,1,0,0,0|3,0,0]=4 263 B11R1.124 O=C(O)c1csc(\C=N\O)n1 Amb27779220 [0,0,1,0,0,0|2,0,1]=4 264 B11R1.124 O=CNc1ccc(C(=O)O)s1 Amb18951593 [0,0,1,0,0,0|2,0,1]=4 265 B11R1.706 O=C(O)C1=CC=CC=CC=C1 Amb22365173 [0,0,1,0,0,0|2,0,0]=3 266 B13R2.430 C=C(C)c1ccc2ccoc2c1 Amb28346447 [0,0,0,0,0,1|3,0,0]=4 267 B13R2.430 CC(=O)c1cc2ccoc2cn1 Amb22490558 [0,0,0,0,0,1|2,0,0]=3 268 B13R2.430 CC(=O)c1ccc2c(c1)CC=C2 Amb25128945 [0,0,0,0,0,1|3,0,0]=4 269 B13R2.430 CC(=O)c1ccc2ccoc2c1 Amb23401817 [0,0,0,0,0,1|2,0,0]=3 270 B13R2.430 CC(=O)c1ccc2ccoc2n1 Amb27590281 [0,0,0,0,0,1|3,0,0]=4 271 B13R2.430 CC(=O)c1ccc2ncoc2c1 Amb18830116 [0,0,0,0,0,1|3,0,0]=4 272 B13R2.430 CC(=O)c1ccc2occc2c1 Amb18830288 [0,0,0,0,0,1|2,0,0]=3 273 B13R2.430 CC(=O)c1ccc2ocnc2c1 Amb17319977 [0,0,0,0,0,1|3,0,0]=4 274 B13R2.430 CC(=O)c1ccc2ocnc2n1 Amb27961190 [0,0,0,0,0,1|2,0,1]=4 275 B13R2.430 CC(=O)c1ccc2sccc2c1 Amb16232253 [0,0,0,0,0,1|2,1,0]=4 276 B13R2.430 CC(=O)c1cnc2ccsc2c1 Amb19515659 [0,0,0,0,0,1|1,1,1]=4 277 B13R2.430 CC(=O)c1cnc2occc2c1 Amb25667073 [0,0,0,0,0,1|2,0,0]=3 278 B13R2.430 CC(=O)c1cnc2ocnc2c1 Amb27186607 [0,0,0,0,0,1|3,0,0]=4 279 B13R2.430 CC(O)c1ccc2ccoc2c1 Amb25830487 [0,0,0,0,0,1|2,0,1]=4 280 B13R2.430 C[C@@H](O)c1cc2ccoc2cn1 Amb27755499 [0,0,0,0,0,1|2,0,1]=4 281 B13R2.430 C[C@@H](O)c1ccc2occc2c1 Amb33345089 [0,0,0,0,0,1|2,0,1]=4 282 B13R2.430 C[C@H](O)c1ccc2occc2c1 Amb33344834 [0,0,0,0,0,1|2,0,1]=4 283 B13R2.430 N=C(N)c1ccc2occc2c1 Amb20241033 [0,0,0,0,0,1|3,0,0]=4 284 B13R2.430 N=C(N)c1ccc2occc2c1 Amb24089261 [0,0,0,0,0,1|3,0,0]=4 285 B13R2.430 NC(=O)c1cc2ccsc2cn1 Amb27971105 [0,0,0,0,0,1|2,1,0]=4 286 B13R2.430 NC(=O)c1ccc2ccoc2c1 Amb23401819 [0,0,0,0,0,1|2,0,0]=3 287 B13R2.430 NC(=O)c1ccc2ncoc2c1 Amb27390946 [0,0,0,0,0,1|3,0,0]=4 288 B13R2.430 NC(=O)c1ccc2occc2c1 Amb23401830 [0,0,0,0,0,1|2,0,0]=3 289 B13R2.430 NC(=O)c1ccc2sccc2c1 Amb20623818 [0,0,0,0,0,1|2,1,0]=4 290 B13R2.430 NC(=O)c1cnc2ccsc2c1 Amb27663083 [0,0,0,0,0,1|1,1,1]=4 291 B13R2.430 NC(=O)c1cnc2sccc2c1 Amb25132517 [0,0,0,0,0,1|2,1,0]=4 292 B13R2.430 NC(=S)c1ccc2occc2c1 Amb2723115 [0,0,0,0,0,1|2,1,0]=4 293 B13R2.430 O=C(Cl)c1ccc2ccoc2c1 Amb26917355 [0,0,0,0,0,1|2,0,0]=3 294 B13R2.430 O=C(Cl)c1ccc2ncoc2c1 Amb27638540 [0,0,0,0,0,1|3,0,0]=4 295 B13R2.430 O=C(Cl)c1ccc2occc2c1 Amb2723108 [0,0,0,0,0,1|2,0,0]=3 296 B13R2.430 O=C(Cl)c1ccc2sccc2c1 Amb2723379 [0,0,0,0,0,1|2,1,0]=4 297 B13R2.430 O=C(O)C1=CCN2C=CNC2=C1 Amb27151475 [0,0,0,0,0,1|3,0,0]=4 298 B13R2.430 O=C(O)C1=Cc2cccn2CN1 Amb26561284 [0,0,0,0,0,1|2,0,0]=3 299 B13R2.430 O=C(O)C1=Cc2ccsc2CC1 Amb27468136 [0,0,0,0,0,1|1,1,1]=4 300 B13R2.430 O=C(O)C1=Cn2cccc2CN1 Amb22495875 [0,0,0,0,0,1|2,0,0]=3 301 B13R2.430 O=C(O)C1C=Cn2nccc2N1 Amb22499170 [0,0,0,0,0,1|2,0,1]=4 302 B13R2.430 O=C(O)C1CCc2ccoc2C1 Amb18827925 [0,0,0,0,0,1|1,0,2]=4 303 B13R2.430 O=C(O)C1CCc2occc2C1 Amb27215536 [0,0,0,0,0,1|1,0,2]=4 304 B13R2.430 O=C(O)C1Cc2sccc2CN1 Amb18648765 [0,0,0,0,0,1|0,1,2]=4 305 B13R2.430 O=C(O)c1cc2c(cn1)OCO2 Amb24060671 [0,0,0,0,0,1|1,0,2]=4 306 B13R2.430 O=C(O)c1cc2cccn2cn1 Amb10067648 [0,0,0,0,0,1|2,0,1]=4 307 B13R2.430 O=C(O)c1cc2cccn2cn1 Amb2608696 [0,0,0,0,0,1|2,0,1]=4 308 B13R2.430 O=C(O)c1cc2ccoc2cn1 Amb19958264 [0,0,0,0,0,1|1,0,0]=2 309 B13R2.430 O=C(O)c1cc2ccoc2cn1 Amb22235943 [0,0,0,0,0,1|1,0,0]=2 310 B13R2.430 O=C(O)c1cc2ccsc2cn1 Amb18128312 [0,0,0,0,0,1|1,1,0]=3 311 B13R2.430 O=C(O)c1cc2cscc2cn1 Amb28385657 [0,0,0,0,0,1|2,0,1]=4 312 B13R2.430 O=C(O)c1cc2ncsc2cn1 Amb18824544 [0,0,0,0,0,1|2,0,1]=4 313 B13R2.430 O=C(O)c1cc2occc2cn1 Amb18829553 [0,0,0,0,0,1|0,0,1]=2 314 B13R2.430 O=C(O)c1cc2ocnc2cn1 Amb24066867 [0,0,0,0,0,1|1,0,1]=3 315 B13R2.430 O=C(O)c1cc2sccc2cn1 Amb18128384 [0,0,0,0,0,1|0,1,1]=3 316 B13R2.430 O=C(O)c1cc2sccc2nn1 Amb18128591 [0,0,0,0,0,1|0,1,1]=3 317 B13R2.430 O=C(O)c1cc2scnc2cn1 Amb18824553 [0,0,0,0,0,1|1,1,1]=4 318 B13R2.430 O=C(O)c1ccc2[se]ccc2n1 Amb2611568 [0,0,0,0,0,1|0,1,1]=3 319 B13R2.430 O=C(O)c1ccc2c(c1)C=CC2 Amb24078363 [0,0,0,0,0,1|2,0,0]=3 320 B13R2.430 O=C(O)c1ccc2c(c1)C=N[NH2+]2 Amb2694905 [0,0,0,0,0,1|3,0,0]=4 321 B13R2.430 O=C(O)c1ccc2c(c1)CCO2 Amb540918 [0,0,0,0,0,1|1,0,2]=4 322 B13R2.430 O=C(O)c1ccc2c(c1)NCO2 Amb33133015 [0,0,0,0,0,1|2,0,1]=4 323 B13R2.430 O=C(O)c1ccc2c(c1)OCC2 Amb10602522 [0,0,0,0,0,1|1,0,2]=4 324 B13R2.430 O=C(O)c1ccc2c(c1)OCN2 Amb17621777 [0,0,0,0,0,1|2,0,1]=4 325 B13R2.430 O=C(O)c1ccc2c(c1)OCO2 Amb2542764 [0,0,0,0,0,1|2,0,1]=4 326 B13R2.430 O=C(O)c1ccc2c(n1)OCO2 Amb18827396 [0,0,0,0,0,1|1,0,2]=4 327 B13R2.430 O=C(O)c1ccc2cccn2c1 Amb16232518 [0,0,0,0,0,1|3,0,0]=4 328 B13R2.430 O=C(O)c1ccc2ccnn2c1 Amb18829868 [0,0,0,0,0,1|3,0,0]=4 329 B13R2.430 O=C(O)c1ccc2ccoc2c1 Amb33542897 [0,0,0,0,0,1|1,0,0]=2 330 B13R2.430 O=C(O)c1ccc2ccsc2c1 Amb9783319 [0,0,0,0,0,1|1,1,0]=3 331 B13R2.430 O=C(O)c1ccc2cnoc2c1 Amb27982959 [0,0,0,0,0,1|2,0,0]=3 332 B13R2.430 O=C(O)c1ccc2cnsc2c1 Amb22754833 [0,0,0,0,0,1|2,1,0]=4 333 B13R2.430 O=C(O)c1ccc2nccn2c1 Amb24081838 [0,0,0,0,0,1|3,0,0]=4 334 B13R2.430 O=C(O)c1ccc2nccn2c1 Amb2436455 [0,0,0,0,0,1|3,0,0]=4 335 B13R2.430 O=C(O)c1ccc2nccn2c1 Amb8629926 [0,0,0,0,0,1|3,0,0]=4 336 B13R2.430 O=C(O)c1ccc2nccn2n1 Amb20075867 [0,0,0,0,0,1|2,0,1]=4 337 B13R2.430 O=C(O)c1ccc2nccn2n1 Amb24081852 [0,0,0,0,0,1|2,0,1]=4 338 B13R2.430 O=C(O)c1ccc2ncoc2c1 Amb8629960 [0,0,0,0,0,1|2,0,0]=3 339 B13R2.430 O=C(O)c1ccc2ncsc2c1 Amb1207386 [0,0,0,0,0,1|2,1,0]=4 340 B13R2.430 O=C(O)c1ccc2ncsc2n1 Amb22736770 [0,0,0,0,0,1|2,0,1]=4 341 B13R2.430 O=C(O)c1ccc2nnoc2c1 Amb18829108 [0,0,0,0,0,1|3,0,0]=4 342 B13R2.430 O=C(O)c1ccc2occc2c1 Amb2723107 [0,0,0,0,0,1|1,0,0]=2 343 B13R2.430 O=C(O)c1ccc2occc2n1 Amb18645762 [0,0,0,0,0,1|0,0,1]=2 344 B13R2.430 O=C(O)c1ccc2ocnc2c1 Amb5730401 [0,0,0,0,0,1|2,0,0]=3 345 B13R2.430 O=C(O)c1ccc2ocnc2n1 Amb25677507 [0,0,0,0,0,1|1,0,1]=3 346 B13R2.430 O=C(O)c1ccc2oncc2c1 Amb26477875 [0,0,0,0,0,1|2,0,0]=3 347 B13R2.430 O=C(O)c1ccc2sccc2c1 Amb1995219 [0,0,0,0,0,1|1,1,0]=3 348 B13R2.430 O=C(O)c1ccc2sccc2n1 Amb18128400 [0,0,0,0,0,1|0,1,1]=3 349 B13R2.430 O=C(O)c1ccc2scnc2c1 Amb1994154 [0,0,0,0,0,1|2,1,0]=4 350 B13R2.430 O=C(O)c1ccc2sncc2c1 Amb24330535 [0,0,0,0,0,1|2,1,0]=4 351 B13R2.430 O=C(O)c1ccn2cccc2c1 Amb26600537 [0,0,0,0,0,1|3,0,0]=4 352 B13R2.430 O=C(O)c1ccn2ccnc2c1 Amb10071160 [0,0,0,0,0,1|3,0,0]=4 353 B13R2.430 O=C(O)c1ccn2ccnc2c1 Amb8629925 [0,0,0,0,0,1|3,0,0]=4 354 B13R2.430 O=C(O)c1ccn2nccc2c1 Amb22235529 [0,0,0,0,0,1|3,0,0]=4 355 B13R2.430 O=C(O)c1ccn2nccc2n1 Amb13889258 [0,0,0,0,0,1|2,0,1]=4 356 B13R2.430 O=C(O)c1cn2cccc2cn1 Amb22747148 [0,0,0,0,0,1|2,0,1]=4 357 B13R2.430 O=C(O)c1cn2ccnc2cn1 Amb22728065 [0,0,0,0,0,1|3,0,0]=4 358 B13R2.430 O=C(O)c1cnc2c(c1)OCO2 Amb18827404 [0,0,0,0,0,1|1,0,2]=4 359 B13R2.430 O=C(O)c1cnc2ccnn2c1 Amb13889372 [0,0,0,0,0,1|2,0,1]=4 360 B13R2.430 O=C(O)c1cnc2ccoc2c1 Amb13890160 [0,0,0,0,0,1|0,0,1]=2 361 B13R2.430 O=C(O)c1cnc2ccsc2c1 Amb18648242 [0,0,0,0,0,1|0,1,1]=3 362 B13R2.430 O=C(O)c1cnc2nccn2c1 Amb18829515 [0,0,0,0,0,1|3,0,0]=4 363 B13R2.430 O=C(O)c1cnc2nccn2n1 Amb27429112 [0,0,0,0,0,1|2,0,1]=4 364 B13R2.430 O=C(O)c1cnc2ncoc2c1 Amb27186299 [0,0,0,0,0,1|1,0,1]=3 365 B13R2.430 O=C(O)c1cnc2occc2c1 Amb18645764 [0,0,0,0,0,1|1,0,0]=2 366 B13R2.430 O=C(O)c1cnc2oncc2c1 Amb18829107 [0,0,0,0,0,1|2,0,0]=3 367 B13R2.430 O=C(O)c1cnc2sccc2c1 Amb18648241 [0,0,0,0,0,1|1,1,0]=3 368 B13R2.430 O=C(O)c1cnc2sccc2n1 Amb18824561 [0,0,0,0,0,1|0,1,1]=3 369 B13R2.430 O=C(O)c1cnc2sncc2c1 Amb18824543 [0,0,0,0,0,1|2,1,0]=4 370 B13R2.430 O=C(O)c1cnn2nccc2c1 Amb27623648 [0,0,0,0,0,1|3,0,0]=4 371 B13R2.430 O=C(O)c1ncc2cccn2n1 Amb18829522 [0,0,0,0,0,1|2,0,1]=4 372 B13R2.430 O=C(O)c1ncc2ccoc2n1 Amb18522236 [0,0,0,0,0,1|1,0,1]=3 373 B13R2.430 O=C(O)c1ncc2ccsc2n1 Amb18145711 [0,0,0,0,0,1|1,1,1]=4 374 B13R2.430 O=C(O)c1ncc2nccn2n1 Amb18829095 [0,0,0,0,0,1|2,0,1]=4 375 B13R2.430 O=C(O)c1ncc2occc2n1 Amb18829115 [0,0,0,0,0,1|0,0,1]=2 376 B13R2.430 O=[N+]([O-])c1ccc2occc2c1 Amb2425547 [0,0,0,0,0,1|2,0,1]=4 377 B13R2.430 OB(O)c1ccc2ccoc2c1 Amb27812498 [0,0,0,0,0,1|2,0,1]=4 378 B13R2.430 OB(O)c1ccc2occc2c1 Amb8629035 [0,0,0,0,0,1|2,0,1]=4 379 B13R2.430 OB(O)c1cnc2ccoc2c1 Amb24747183 [0,0,0,0,0,1|1,0,2]=4 380 B13R2.430 OB(O)c1cnc2occc2c1 Amb27761540 [0,0,0,0,0,1|2,0,1]=4 381 B13R2.435 CC(=O)C1=Cc2ccccc2C1 Amb17777848 [0,0,0,0,0,1|3,0,0]=4 382 B13R2.435 CC(=O)c1cc2ccccc2o1 Amb1212626 [0,0,0,0,0,1|3,0,0]=4 383 B13R2.435 CC(=O)c1cc2ccccc2s1 Amb5719845 [0,0,0,0,0,1|3,0,0]=4 384 B13R2.435 CC(=O)c1cc2cccnc2s1 Amb18195959 [0,0,0,0,0,1|3,0,0]=4 385 B13R2.435 CC(=O)c1cc2ccncc2o1 Amb18830115 [0,0,0,0,0,1|3,0,0]=4 386 B13R2.435 CC(=O)c1cc2ccncc2s1 Amb18825003 [0,0,0,0,0,1|3,0,0]=4 387 B13R2.435 CC(=O)c1cc2cnccc2o1 Amb18830138 [0,0,0,0,0,1|3,0,0]=4 388 B13R2.435 CC(=O)c1cc2cnccc2s1 Amb18195960 [0,0,0,0,0,1|3,0,0]=4 389 B13R2.435 CC(=O)c1cc2nccnc2o1 Amb18829866 [0,0,0,0,0,1|3,0,0]=4 390 B13R2.435 CC(=O)c1cc2nccnc2s1 Amb18824895 [0,0,0,0,0,1|3,0,0]=4 391 B13R2.435 NC(=O)C1=Cc2ccccc2C1 Amb22227964 [0,0,0,0,0,1|3,0,0]=4 392 B13R2.435 NC(=O)c1cc2ccccc2o1 Amb6337587 [0,0,0,0,0,1|3,0,0]=4 393 B13R2.435 NC(=O)c1cc2ccccc2s1 Amb6341890 [0,0,0,0,0,1|3,0,0]=4 394 B13R2.435 O=C(Cl)c1cc2ccccc2o1 Amb2684582 [0,0,0,0,0,1|3,0,0]=4 395 B13R2.435 O=C(Cl)c1cc2ccccc2s1 Amb2723175 [0,0,0,0,0,1|3,0,0]=4 396 B13R2.435 O=C(Cl)c1cc2cccnc2s1 Amb22736489 [0,0,0,0,0,1|3,0,0]=4 397 B13R2.435 O=C(Cl)c1cc2cccnc2s1 Amb27185816 [0,0,0,0,0,1|3,0,0]=4 398 B13R2.435 O=C(O)C1=CN2=CC=CN=C2N1 Amb31128517 [0,0,0,0,0,1|2,0,0]=3 399 B13R2.435 O=C(O)C1=Cc2ccccc2C1 Amb10553818 [0,0,0,0,0,1|2,0,0]=3 400 B13R2.435 O=C(O)C1=Nc2ccccc2C1 Amb24078944 [0,0,0,0,0,1|1,0,2]=4 401 B13R2.435 O=C(O)C1Cc2ccccc2N1 Amb1914079 [0,0,0,0,0,1|1,0,2]=4 402 B13R2.435 O=C(O)C1Cc2cccnc2N1 Amb27794813 [0,0,0,0,0,1|1,0,2]=4 403 B13R2.435 O=C(O)[C@@H]1Cc2ccccc2N1 Amb2698470 [0,0,0,0,0,1|1,0,2]=4 404 B13R2.435 O=C(O)[C@H]1Cc2ccccc2N1 Amb2699613 [0,0,0,0,0,1|1,0,2]=4 405 B13R2.435 O=C(O)c1cc2c(s1)C=CCO2 Amb6718271 [0,0,0,0,0,1|1,0,0]=2 406 B13R2.435 O=C(O)c1cc2c(s1)CCCO2 Amb18822944 [0,0,0,0,0,1|1,0,2]=4 407 B13R2.435 O=C(O)c1cc2c(s1)CCOC2 Amb9472946 [0,0,0,0,0,1|1,0,2]=4 408 B13R2.435 O=C(O)c1cc2c(s1)NCCO2 Amb18148084 [0,0,0,0,0,1|1,0,2]=4 409 B13R2.435 O=C(O)c1cc2ccccc2[se]1 Amb2611625 [0,0,0,0,0,1|2,0,0]=3 410 B13R2.435 O=C(O)c1cc2ccccc2o1 Amb1203290 [0,0,0,0,0,1|2,0,0]=3 411 B13R2.435 O=C(O)c1cc2ccccc2s1 Amb6335225 [0,0,0,0,0,1|2,0,0]=3 412 B13R2.435 O=C(O)c1cc2ccccn2c1 Amb2610302 [0,0,0,0,0,1|3,0,0]=4 413 B13R2.435 O=C(O)c1cc2ccccn2n1 Amb2235996 [0,0,0,0,0,1|2,0,1]=4 414 B13R2.435 O=C(O)c1cc2cccnc2o1 Amb8383389 [0,0,0,0,0,1|2,0,0]=3 415 B13R2.435 O=C(O)c1cc2cccnc2s1 Amb2723080 [0,0,0,0,0,1|2,0,0]=3 416 B13R2.435 O=C(O)c1cc2cccnn2n1 Amb24330534 [0,0,0,0,0,1|2,0,1]=4 417 B13R2.435 O=C(O)c1cc2ccncc2o1 Amb18645760 [0,0,0,0,0,1|2,0,0]=3 418 B13R2.435 O=C(O)c1cc2ccncc2s1 Amb18824745 [0,0,0,0,0,1|2,0,0]=3 419 B13R2.435 O=C(O)c1cc2cnccc2o1 Amb18645761 [0,0,0,0,0,1|2,0,0]=3 420 B13R2.435 O=C(O)c1cc2cnccc2s1 Amb18648240 [0,0,0,0,0,1|2,0,0]=3 421 B13R2.435 O=C(O)c1cc2cncnc2o1 Amb18142231 [0,0,0,0,0,1|3,0,0]=4 422 B13R2.435 O=C(O)c1cc2cncnc2s1 Amb18145660 [0,0,0,0,0,1|3,0,0]=4 423 B13R2.435 O=C(O)c1cc2cncnn2c1 Amb18829518 [0,0,0,0,0,1|3,0,0]=4 424 B13R2.435 O=C(O)c1cc2cnncc2o1 Amb27224397 [0,0,0,0,0,1|3,0,0]=4 425 B13R2.435 O=C(O)c1cc2ncccc2o1 Amb17774703 [0,0,0,0,0,1|2,0,0]=3 426 B13R2.435 O=C(O)c1cc2ncccc2o1 Amb7173138 [0,0,0,0,0,1|2,0,0]=3 427 B13R2.435 O=C(O)c1cc2ncccc2s1 Amb9677586 [0,0,0,0,0,1|2,0,0]=3 428 B13R2.435 O=C(O)c1cc2ncccn2n1 Amb1058799 [0,0,0,0,0,1|2,0,1]=4 429 B13R2.435 O=C(O)c1cc2ncccn2n1 Amb22492395 [0,0,0,0,0,1|2,0,1]=4 430 B13R2.435 O=C(O)c1cc2nccnc2o1 Amb18829111 [0,0,0,0,0,1|2,0,0]=3 431 B13R2.435 O=C(O)c1cc2nccnc2s1 Amb2723505 [0,0,0,0,0,1|2,0,0]=3 432 B13R2.435 O=C(O)c1cc2ncncc2s1 Amb18824542 [0,0,0,0,0,1|2,0,0]=3 433 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb1106602 [0,0,0,0,0,1|2,0,1]=4 434 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb19514889 [0,0,0,0,0,1|2,0,1]=4 435 B13R2.435 O=C(O)c1cn2ccccc2n1 Amb2688822 [0,0,0,0,0,1|2,0,1]=4 436 B13R2.435 O=C(O)c1cn2cccnc2n1 Amb33532058 [0,0,0,0,0,1|2,0,1]=4 437 B13R2.435 O=C(O)c1cn2ccncc2n1 Amb6359289 [0,0,0,0,0,1|2,0,1]=4 438 B13R2.435 O=C(O)c1cn2cnccc2n1 Amb10071587 [0,0,0,0,0,1|2,0,1]=4 439 B13R2.435 O=C(O)c1cn2ncccc2n1 Amb10071426 [0,0,0,0,0,1|2,0,1]=4 440 B13R2.435 O=C(O)c1cn2nccnc2n1 Amb27618841 [0,0,0,0,0,1|2,0,1]=4 441 B13R2.435 O=C(O)c1nc2ccccc2o1 Amb10066905 [0,0,0,0,0,1|2,0,1]=4 442 B13R2.435 O=C(O)c1nc2ccccc2s1 Amb17622301 [0,0,0,0,0,1|2,0,1]=4 443 B13R2.435 O=C(O)c1nc2ccccc2s1 Amb3428729 [0,0,0,0,0,1|2,0,1]=4 444 B13R2.435 O=C(O)c1nc2cccnc2s1 Amb22499596 [0,0,0,0,0,1|2,0,1]=4 445 B13R2.435 O=C(O)c1nc2ccncc2s1 Amb22728609 [0,0,0,0,0,1|2,0,1]=4 446 B13R2.435 O=C(O)c1nc2cnccc2o1 Amb32691510 [0,0,0,0,0,1|2,0,1]=4 447 B13R2.435 O=C(O)c1nc2cnccc2s1 Amb24100066 [0,0,0,0,0,1|2,0,1]=4 448 B13R2.435 O=C(O)c1nc2ncccc2o1 Amb18829106 [0,0,0,0,0,1|2,0,1]=4 449 B13R2.435 O=C(O)c1nc2ncccc2s1 Amb22490341 [0,0,0,0,0,1|2,0,1]=4 450 B13R2.543 CC(=O)Nc1cc2sccc2s1 Amb27947484 [0,0,0,0,0,1|2,1,0]=4 451 B13R2.543 O=C(O)Cc1cc2ncoc2s1 Amb18823399 [0,0,0,0,0,1|3,0,0]=4 452 B13R2.543 O=C(O)Cc1cc2occc2s1 Amb18823815 [0,0,0,0,0,1|1,0,0]=2 453 B13R2.543 O=C(O)Cc1cc2oncc2o1 Amb18827394 [0,0,0,0,0,1|2,0,0]=3 454 B13R2.543 O=C(O)Cc1cc2oncc2s1 Amb18823398 [0,0,0,0,0,1|2,0,0]=3 455 B13R2.543 O=C(O)Cc1cn2occc2n1 Amb18827971 [0,0,0,0,0,1|1,0,1]=3 456 B13R2.543 O=C(O)Cc1nc2sccc2o1 Amb18823405 [0,0,0,0,0,1|2,1,0]=4 457 B10R1.27 C=C\C(C)=C/c1ccco1 Amb27440408 [1,0,1,0,0,0|2,0,0]=4 458 B10R1.27 C=C\C(C)=C\c1ccco1 Amb33359794 [1,0,1,0,0,0|2,0,0]=4 459 B10R1.27 C\C(=C/c1ccco1)CO Amb27185698 [1,0,1,0,0,0|1,0,1]=4 460 B10R1.27 C\C(=C\c1ccco1)CO Amb28240574 [1,0,1,0,0,0|1,0,1]=4 461 B10R1.27 C\C(C=O)=C/c1ccco1 Amb3599297 [1,0,1,0,0,0|1,0,0]=3 462 B10R1.27 C\C(C=O)=C/c1cccs1 Amb17334333 [1,0,1,0,0,0|1,1,0]=4 463 B10R1.27 C\C(C=O)=C\c1ccco1 Amb2792767 [1,0,1,0,0,0|1,0,0]=3 464 B10R1.27 C\C(C=O)=C\c1ccoc1 Amb28050918 [1,0,1,0,0,0|1,0,1]=4 465 B10R1.27 N\C(=C/c1cccs1)CO Amb28245870 [1,0,1,0,0,0|0,1,1]=4 466 B10R1.27 N\C(=C\c1cccs1)CO Amb27624553 [1,0,1,0,0,0|0,1,1]=4 467 B10R1.27 N\C(Cc1ccco1)=N\O Amb27769895 [1,0,1,0,0,0|1,0,1]=4 468 B10R1.27 O=CC(=O)Cc1ccco1 Amb27180510 [1,0,1,0,0,0|1,0,1]=4 469 B10R1.27 O=C\C(Cl)=C/c1cccs1 Amb27227152 [1,0,1,0,0,0|1,1,0]=4 470 B10R1.27 O=C\C(Cl)=C\c1ccco1 Amb27166107 [1,0,1,0,0,0|1,0,0]=3 471 B10R1.27 O=C\C(F)=C\c1cccs1 Amb27770449 [1,0,1,0,0,0|1,1,0]=4 472 B10R1.66 CC(=O)\C=C/c1ccco1 Amb25066388 [1,0,1,0,0,0|1,0,0]=3 473 B10R1.66 CC(=O)\C=C\c1ccco1 Amb6608963 [1,0,1,0,0,0|1,0,0]=3 474 B10R1.66 CC(=O)\C=C\c1cccs1 Amb33512960 [1,0,1,0,0,0|1,1,0]=4 475 B10R1.66 CC(=O)\C=C\c1ccoc1 Amb24479175 [1,0,1,0,0,0|2,0,0]=4 476 B10R1.66 CC(=O)\C=C\c1cnco1 Amb33319933 [1,0,1,0,0,0|2,0,0]=4 477 B10R1.66 CC(O)\C=C\c1ccco1 Amb24504965 [1,0,1,0,0,0|1,0,1]=4 478 B10R1.66 NC(=O)\C=C/c1ccoc1 Amb27493171 [1,0,1,0,0,0|2,0,0]=4 479 B10R1.66 NC(=O)\C=C\c1ccco1 Amb6387328 [1,0,1,0,0,0|1,0,0]=3 480 B10R1.66 NC(=O)\C=C\c1cccs1 Amb3429140 [1,0,1,0,0,0|1,1,0]=4 481 B10R1.66 NC(=S)\C=C/c1ccco1 Amb18108368 [1,0,1,0,0,0|1,1,0]=4 482 B10R1.66 O=C(Cl)\C=C/c1ccco1 Amb26581586 [1,0,1,0,0,0|1,0,0]=3 483 B10R1.66 O=C(Cl)\C=C\c1ccco1 Amb16230244 [1,0,1,0,0,0|1,0,0]=3 484 B10R1.66 O=C(Cl)\C=C\c1cccs1 Amb7173093 [1,0,1,0,0,0|1,1,0]=4 485 B10R1.66 O=C(O)C#Cc1ccco1 Amb20672984 [1,0,1,0,0,0|0,0,2]=4 486 B10R1.66 O=C(O)C#Cc1ccoc1 Amb25873565 [1,0,1,0,0,0|1,0,1]=4 487 B10R1.66 O=C(O)CCc1ccco1 Amb1153073 [1,0,1,0,0,0|0,0,2]=4 488 B10R1.66 O=C(O)CCc1ccoc1 Amb18643489 [1,0,1,0,0,0|1,0,1]=4 489 B10R1.66 O=C(O)CNc1ccco1 Amb27846560 [1,0,1,0,0,0|1,0,1]=4 490 B10R1.66 O=C(O)CNc1ccsc1 Amb25322129 [1,0,1,0,0,0|0,1,1]=4 491 B10R1.66 O=C(O)COc1ccco1 Amb28050105 [1,0,1,0,0,0|1,0,1]=4 492 B10R1.66 O=C(O)COc1ccoc1 Amb33360335 [1,0,1,0,0,0|1,0,1]=4 493 B10R1.66 O=C(O)CSc1ccco1 Amb27975289 [1,0,1,0,0,0|1,0,1]=4 494 B10R1.66 O=C(O)\C=C/c1ccco1 Amb26458726 [1,0,1,0,0,0|0,0,0]=2 495 B10R1.66 O=C(O)\C=C/c1cccs1 Amb27658635 [1,0,1,0,0,0|0,1,0]=3 496 B10R1.66 O=C(O)\C=C/c1ccsc1 Amb10071559 [1,0,1,0,0,0|1,1,0]=4 497 B10R1.66 O=C(O)\C=C\c1ccco1 Amb6335256 [1,0,1,0,0,0|0,0,0]=2 498 B10R1.66 O=C(O)\C=C\c1cccs1 Amb24076486 [1,0,1,0,0,0|0,1,0]=3 499 B10R1.66 O=C(O)\C=C\c1cccs1 Amb33716246 [1,0,1,0,0,0|0,1,0]=3 500 B10R1.66 O=C(O)\C=C\c1ccno1 Amb27851739 [1,0,1,0,0,0|1,0,0]=3 501 B10R1.66 O=C(O)\C=C\c1ccns1 Amb27234709 [1,0,1,0,0,0|1,1,0]=4 502 B10R1.66 O=C(O)\C=C\c1ccoc1 Amb33946022 [1,0,1,0,0,0|1,0,0]=3 503 B10R1.66 O=C(O)\C=C\c1ccon1 Amb33198351 [1,0,1,0,0,0|2,0,0]=4 504 B10R1.66 O=C(O)\C=C\c1ccsc1 Amb1154295 [1,0,1,0,0,0|1,1,0]=4 505 B10R1.66 O=C(O)\C=C\c1ccsn1 Amb24624065 [1,0,1,0,0,0|2,0,0]=4 506 B10R1.66 O=C(O)\C=C\c1cnco1 Amb32954265 [1,0,1,0,0,0|1,0,0]=3 507 B10R1.66 O=C(O)\C=C\c1cncs1 Amb33473685 [1,0,1,0,0,0|1,1,0]=4 508 B10R1.66 O=C(O)\C=C\c1cocn1 Amb24638306 [1,0,1,0,0,0|2,0,0]=4 509 B10R1.66 O=C(O)\C=C\c1cscn1 Amb8836304 [1,0,1,0,0,0|2,0,0]=4 510 B10R1.66 O=C(O)\C=C\c1ncco1 Amb26921286 [1,0,1,0,0,0|1,0,0]=3 511 B10R1.66 O=C(O)\C=C\c1nccs1 Amb8836307 [1,0,1,0,0,0|1,1,0]=4 512 B10R1.66 O=[N+]([O-])\C=C\c1ccco1 Amb6316064 [1,0,1,0,0,0|1,0,1]=4 513 B10R1.66 OB(O)\C=C\c1ccco1 Amb27760362 [1,0,1,0,0,0|1,0,1]=4 514 B10R1.31 C=Cc1ccc(C(=O)O)s1 Amb27606833 [1,0,1,0,0,0|1,0,0]=3 515 B10R1.31 C=Cc1ccc(C(C)=O)s1 Amb28145327 [1,0,1,0,0,0|2,0,0]=4 516 B10R1.31 C=Cc1csc(C(=O)O)c1 Amb32682054 [1,0,1,0,0,0|1,0,0]=3 517 B10R1.31 C=Cc1csc(C(C)=O)c1 Amb27841466 [1,0,1,0,0,0|2,0,0]=4 518 B10R1.31 C=Cc1nc(C(=O)O)co1 Amb27473286 [1,0,1,0,0,0|1,0,1]=4 519 B10R1.31 C=Cc1nc(C(=O)O)cs1 Amb10071216 [1,0,1,0,0,0|1,0,1]=4 520 B10R1.31 C=Cn1ccc(C(=O)O)n1 Amb28049999 [1,0,1,0,0,0|1,0,1]=4 521 B10R1.31 COc1coc(C(=O)O)c1 Amb18643783 [1,0,1,0,0,0|1,0,1]=4 522 B10R1.31 COc1csc(C(=O)O)c1 Amb33528140 [1,0,1,0,0,0|1,0,1]=4 523 B10R1.31 O=C(O)c1ccc(CO)o1 Amb1911529 [1,0,1,0,0,0|1,0,1]=4 524 B10R1.31 O=C(O)c1ccc(CO)s1 Amb24329406 [1,0,1,0,0,0|1,0,1]=4 525 B10R1.31 O=Cc1ccc(C(=O)O)o1 Amb2688600 [1,0,1,0,0,0|1,0,1]=4 526 B10R1.31 O=Cc1ccc(C(=O)O)s1 Amb2611502 [1,0,1,0,0,0|1,0,1]=4 527 B10R1.31 O=Cc1coc(C(=O)O)c1 Amb27589260 [1,0,1,0,0,0|2,0,0]=4 528 B10R1.31 O=Cc1csc(C(=O)O)c1 Amb18125941 [1,0,1,0,0,0|2,0,0]=4 529 B10R1.35 O=Cc1cc(O)c(C=O)s1 Amb27402670 [1,0,1,0,0,0|2,0,0]=4 530 B10R1.29 Cc1ccoc1\C=C\C=O Amb32954708 [1,0,1,0,0,0|1,0,0]=3 531 B10R1.29 Cc1ccoc1\C=C\CO Amb33079472 [1,0,1,0,0,0|1,0,1]=4 532 B10R1.29 Cc1ccsc1\C=C\C=O Amb33136416 [1,0,1,0,0,0|1,1,0]=4 533 B10R1.29 Cc1occc1\C=C\C=O Amb33358783 [1,0,1,0,0,0|1,0,1]=4 534 B10R1.29 O=C\C=C\c1occc1Br Amb27839525 [1,0,1,0,0,0|1,0,0]=3 535 B10R1.29 O=C\C=C\c1sccc1Br Amb33242845 [1,0,1,0,0,0|1,1,0]=4 536 B10R1.29 O=C\C=C\c1sccc1Cl Amb27847772 [1,0,1,0,0,0|1,1,0]=4 537 B10R1.29 OC\C=C\c1occc1Br Amb27238915 [1,0,1,0,0,0|1,0,1]=4 538 B10R1.161 O=Cc1ccoccoc1 Amb28050025 [1,0,1,0,0,0|2,0,0]=4 539 B10R2.2 O=C1Cc2ccoc2C1 Amb18203345 [2,0,0,0,0,0|1,0,1]=4 540 B10R2.2 O=C1Nc2ccsc2N1 Amb22899034 [2,0,0,0,0,0|1,1,0]=4 541 B10R2.2 Oc1cc2sccc2s1 Amb24745644 [2,0,0,0,0,0|1,1,0]=4 542 B12R1.104 C\C(=C/c1cc(C)no1)C(=O)O Amb27235095 [0,1,1,0,0,0|2,0,0]=4 543 B12R1.104 C\C(=C/c1ccc(Br)o1)C(=O)O Amb24681994 [0,1,1,0,0,0|1,0,0]=3 544 B12R1.104 Cc1cc(NC(=O)C(=O)O)no1 Amb7969487 [0,1,1,0,0,0|2,0,0]=4 545 B12R1.104 Cc1cc(\C=C(\F)C(=O)O)on1 Amb28197353 [0,1,1,0,0,0|2,0,0]=4 546 B12R1.104 Cc1ccc(CC(=O)C(=O)O)o1 Amb1134823 [0,1,1,0,0,0|1,0,1]=4 547 B12R1.104 Cc1ccc(CC(N)C(=O)O)o1 Amb6267158 [0,1,1,0,0,0|0,0,2]=4 548 B12R1.104 Cc1ccc(C[C@@H](N)C(=O)O)o1 Amb18801199 [0,1,1,0,0,0|0,0,2]=4 549 B12R1.104 Cc1ccc(C[C@H](N)C(=O)O)o1 Amb24380249 [0,1,1,0,0,0|0,0,2]=4 550 B12R1.104 Cc1ncc(\C=C(\N)C(=O)O)s1 Amb35641003 [0,1,1,0,0,0|1,1,0]=4 551 B12R1.104 Cn1ccc(\C=C(\N)C(=O)O)n1 Amb28256302 [0,1,1,0,0,0|2,0,0]=4 552 B12R1.104 NC(Cc1cc(Br)co1)C(=O)O Amb26915240 [0,1,1,0,0,0|0,0,2]=4 553 B12R1.104 NC(Cc1ccc(Br)o1)C(=O)O Amb6269286 [0,1,1,0,0,0|0,0,2]=4 554 B12R1.104 NC(Cc1ccc(Cl)o1)C(=O)O Amb19000858 [0,1,1,0,0,0|0,0,2]=4 555 B12R1.104 N[C@@H](Cc1cc(Br)co1)C(=O)O Amb27778491 [0,1,1,0,0,0|0,0,2]=4 556 B12R1.104 N[C@@H](Cc1ccc(Br)o1)C(=O)O Amb24488678 [0,1,1,0,0,0|0,0,2]=4 557 B12R1.104 N[C@@H](Cc1ccc(Cl)o1)C(=O)O Amb27596523 [0,1,1,0,0,0|0,0,2]=4 558 B12R1.104 N[C@H](Cc1ccc(Br)o1)C(=O)O Amb25791878 [0,1,1,0,0,0|0,0,2]=4 559 B12R1.104 O=C(O)C(=O)Cc1cc(Br)co1 Amb33431505 [0,1,1,0,0,0|1,0,1]=4 560 B12R1.104 O=C(O)C(=O)Cc1ccc(Br)o1 Amb1131460 [0,1,1,0,0,0|1,0,1]=4 561 B12R1.104 O=C(O)C(=O)Cc1ccc(Cl)o1 Amb33258273 [0,1,1,0,0,0|1,0,1]=4 562 B12R1.104 O=C(O)C(=O)Nc1csc(Cl)c1 Amb28317598 [0,1,1,0,0,0|1,1,0]=4 563 B12R1.104 O=C(O)\C(F)=C\c1ccc(Br)s1 Amb27461264 [0,1,1,0,0,0|1,1,0]=4 564 B12R1.108 C=CC(=O)\C(C)=C\c1ccco1 Amb33311620 [0,1,1,0,0,0|2,0,0]=4 565 B12R1.108 COC(=O)C(=O)Cc1ccco1 Amb17138626 [0,1,1,0,0,0|1,0,1]=4 566 B12R1.108 COC(=O)C(=O)Nc1ccon1 Amb27416716 [0,1,1,0,0,0|2,0,0]=4 567 B12R1.108 COC(=O)C(=O)Nc1ccsc1 Amb27416715 [0,1,1,0,0,0|1,1,0]=4 568 B12R1.108 COC(=O)C(N)Cc1ccco1 Amb33308805 [0,1,1,0,0,0|0,0,2]=4 569 B12R1.108 COC(=O)\C(O)=C\c1cccs1 Amb18010728 [0,1,1,0,0,0|1,1,0]=4 570 B12R1.108 C\C(=C/c1ccco1)C(=O)CCl Amb33256373 [0,1,1,0,0,0|2,0,0]=4 571 B12R1.108 C\C(=C/c1ccco1)C(=O)CN Amb33311971 [0,1,1,0,0,0|2,0,0]=4 572 B12R1.108 C\C(=C\c1ccco1)C(=N)NO Amb27252203 [0,1,1,0,0,0|2,0,0]=4 573 B12R1.120 C=C(C(=O)O)C(N)c1ccoc1 Amb27413664 [0,1,1,0,0,0|1,0,0]=3 574 B12R1.120 C=C(C(=O)O)C(O)c1ccoc1 Amb27864091 [0,1,1,0,0,0|1,0,0]=3 575 B12R1.120 C=C(C(=O)O)[C@@H](N)c1ccoc1 Amb27488178 [0,1,1,0,0,0|1,0,0]=3 576 B12R1.120 C=C(C(=O)O)[C@@H](O)c1ccsc1 Amb27592134 [0,1,1,0,0,0|1,1,0]=4 577 B12R1.120 C=C(C(C)=O)C(O)c1ccoc1 Amb28202066 [0,1,1,0,0,0|2,0,0]=4 578 B12R1.120 CC(=O)\C(C)=C(\N)c1ccco1 Amb28457415 [0,1,1,0,0,0|2,0,0]=4 579 B12R1.120 CC(c1ccco1)C(N)C(=O)O Amb35663086 [0,1,1,0,0,0|0,0,2]=4 580 B12R1.120 C\C(C(=O)O)=C(\Cl)c1cccs1 Amb28075577 [0,1,1,0,0,0|1,1,0]=4 581 B12R1.120 NC(C(=O)O)C(O)c1ccco1 Amb2699161 [0,1,1,0,0,0|0,0,2]=4 582 B12R1.120 N[C@H](C(=O)O)[C@@H](O)c1ccco1 Amb27862565 [0,1,1,0,0,0|0,0,2]=4 583 B12R1.120 O=C(O)C(=O)C(=O)c1cccs1 Amb31096970 [0,1,1,0,0,0|1,1,0]=4 584 B12R1.145 CC(=O)\C(C)=C\c1occc1Br Amb27478897 [0,1,1,0,0,0|2,0,0]=4 585 B12R1.145 C\C(=C/c1sccc1Cl)C(=O)O Amb27616806 [0,1,1,0,0,0|1,1,0]=4 586 B12R1.145 C\C(=C\c1occc1C)C(=O)O Amb27398078 [0,1,1,0,0,0|1,0,0]=3 587 B12R1.145 C\C(=C\c1sccc1C)C(=O)O Amb27786857 [0,1,1,0,0,0|1,1,0]=4 588 B12R1.145 Cc1ccoc1CC(=O)C(=O)O Amb25854016 [0,1,1,0,0,0|1,0,1]=4 589 B12R1.145 Cc1ccoc1CC(N)C(=O)O Amb18826171 [0,1,1,0,0,0|0,0,2]=4 590 B12R1.145 Cc1ccsc1\C=C(\N)C(=O)O Amb27827636 [0,1,1,0,0,0|0,1,0]=3 591 B12R1.145 Cc1ncsc1\C=C(\N)C(=O)O Amb35608671 [0,1,1,0,0,0|1,1,0]=4 592 B12R1.145 Cc1occc1CC(=O)C(=O)O Amb28142996 [0,1,1,0,0,0|2,0,0]=4 593 B12R1.145 Cn1ccnc1\C=C(\N)C(=O)O Amb28143796 [0,1,1,0,0,0|2,0,0]=4 594 B12R1.145 Cn1cncc1\C=C(\N)C(=O)O Amb35601938 [0,1,1,0,0,0|2,0,0]=4 595 B12R1.145 NC(Cc1occc1Br)C(=O)O Amb28456942 [0,1,1,0,0,0|0,0,2]=4 596 B12R1.298 CC(=O)\C(C#N)=C/c1ccco1 Amb27175882 [0,1,1,0,0,0|1,0,1]=4 597 B12R1.298 CC\C(=C/c1ccco1)C(=O)O Amb5743948 [0,1,1,0,0,0|1,0,0]=3 598 B12R1.298 CC\C(=C/c1cccs1)C(=O)O Amb5743949 [0,1,1,0,0,0|1,1,0]=4 599 B12R1.298 CC\C(=C/c1ccoc1)C(=O)O Amb32682150 [0,1,1,0,0,0|1,0,1]=4 600 B12R1.298 N#C\C(=C/c1ccco1)C(=O)O Amb15695335 [0,1,1,0,0,0|0,0,1]=3 601 B12R1.298 N#C\C(=C/c1ccco1)C(N)=O Amb2387120 [0,1,1,0,0,0|1,0,1]=4 602 B12R1.298 N#C\C(=C/c1cccs1)C(=O)O Amb1126845 [0,1,1,0,0,0|0,1,1]=4 603 B12R1.298 N#C\C(=C/c1ccoc1)C(=O)O Amb22101154 [0,1,1,0,0,0|1,0,1]=4 604 B12R1.298 N#C\C(=C\c1ccco1)C(=O)O Amb2370582 [0,1,1,0,0,0|0,0,1]=3 605 B12R1.298 N#C\C(=C\c1cccs1)C(=O)O Amb2553295 [0,1,1,0,0,0|0,1,1]=4 606 B12R1.298 NCC(Cc1ccco1)C(=O)O Amb5744246 [0,1,1,0,0,0|0,0,2]=4 607 B12R1.298 O=C(O)\C(Cc1ccco1)=N/O Amb26552990 [0,1,1,0,0,0|0,0,2]=4 608 B12R1.298 O=C(O)\C(Cc1ccco1)=N\O Amb27175304 [0,1,1,0,0,0|0,0,2]=4 609 B12R1.1373 CC(N)(Cc1ccco1)C(=O)O Amb17232695 [0,1,1,0,0,0|0,0,2]=4 610 B12R1.111 CC(=O)c1sc(C(=O)O)cc1O Amb18822222 [0,1,1,0,0,0|1,0,1]=4 611 B12R1.111 O=C(O)c1cc(O)c(C(=O)O)s1 Amb27592209 [0,1,1,0,0,0|2,0,0]=4 612 B12R1.699 Cn1c(C(=O)O)cc(Br)c1C=O Amb478890 [0,1,1,0,0,0|2,0,0]=4 613 B12R1.81 CCc1ccsc1\C=C\C(=O)O Amb32729214 [0,1,1,0,0,0|1,1,0]=4 614 B12R1.81 CCc1occc1\C=C\C(=O)O Amb33470068 [0,1,1,0,0,0|1,0,1]=4 615 B12R1.81 COc1ccsc1\C=C\C(=O)O Amb24740865 [0,1,1,0,0,0|1,1,0]=4 616 B12R1.81 O=Cc1occc1C#CC(=O)O Amb33076839 [0,1,1,0,0,0|1,0,1]=4 617 B12R1.144 Nc1ccoc1[C@H](N)CC(=O)O Amb28139904 [0,1,1,0,0,0|0,0,2]=4 618 B12R1.353 COC(=O)\C=C\c1ccoc1C Amb26951802 [0,1,1,0,0,0|1,0,1]=4 619 B12R1.353 COC(=O)\C=C\c1ocnc1C Amb27643685 [0,1,1,0,0,0|2,0,0]=4 620 B12R1.353 COC(=O)\C=C\c1sccc1Br Amb28046177 [0,1,1,0,0,0|1,1,0]=4 621 B12R1.353 COC(=O)\C=C\c1sccc1C Amb2780356 [0,1,1,0,0,0|1,1,0]=4 622 B12R1.353 COC(=O)\C=C\c1sccc1Cl Amb28146353 [0,1,1,0,0,0|1,1,0]=4 623 B12R1.861 CC(=O)\C=C\c1oc(Br)cc1C Amb33387184 [0,1,1,0,0,0|2,0,0]=4 624 B12R1.861 Cc1cc(Br)c(\C=C\C(=O)O)s1 Amb33431369 [0,1,1,0,0,0|1,1,0]=4 625 B12R1.861 Cc1cc(Br)oc1\C=C\C(=O)O Amb33450699 [0,1,1,0,0,0|1,0,0]=3 626 B12R1.861 Cc1cc(\C=C\C(=O)O)c(C)o1 Amb33171623 [0,1,1,0,0,0|1,0,1]=4 627 B12R1.861 Cc1nc(C)c(\C=C\C(=O)O)o1 Amb26916027 [0,1,1,0,0,0|2,0,0]=4 628 B12R1.861 Cc1oc(Br)cc1\C=C\C(=O)O Amb33470106 [0,1,1,0,0,0|1,0,1]=4 629 B12R1.870 Cc1csc(\C=C\C(=O)O)c1Br Amb33433894 [0,1,1,0,0,0|1,1,0]=4 630 B12R1.870 Cc1csc(\C=C\C(=O)O)c1Cl Amb33470078 [0,1,1,0,0,0|1,1,0]=4 631 B12R1.895 Cc1coc(C)c1\C=C\C(=O)O Amb33328853 [0,1,1,0,0,0|1,0,1]=4 632 B12R1.179 COC(=O)c1ccc(\C=N\O)o1 Amb7101588 [0,1,1,0,0,0|2,0,0]=4 633 B12R1.184 Cn1c(\C=N\O)ccc1C(=O)O Amb27613624 [0,1,1,0,0,0|1,0,0]=3 634 B12R1.337 O=C\C=C\c1ccc(C(=O)O)o1 Amb33072948 [0,1,1,0,0,0|1,0,1]=4 635 B12R1.359 C=C[C@H](N)c1csc(C(=O)O)c1 Amb27873998 [0,1,1,0,0,0|2,0,0]=4 636 B12R1.359 C\C(=N\O)c1ccc(C(=O)O)s1 Amb27220483 [0,1,1,0,0,0|2,0,0]=4 637 B12R1.389 CC(=O)Oc1csc(C(=O)O)c1 Amb27865580 [0,1,1,0,0,0|1,0,1]=4 638 B12R1.389 O=C(O)Cc1ccc(C(=O)O)o1 Amb17447058 [0,1,1,0,0,0|1,0,1]=4 639 B12R1.1659 COC(=O)C1=CC=CC=CC=C1 Amb24534302 [0,1,1,0,0,0|2,0,0]=4 640 B12R2.30 Cc1c(C=O)sc2ccoc12 Amb18142688 [1,1,0,0,0,0|1,0,0]=3 641 B12R2.30 Cn1c(C=O)cc2ccsc21 Amb18828261 [1,1,0,0,0,0|2,0,0]=4 642 B12R2.30 Cn1c(C=O)cc2sccc21 Amb2723685 [1,1,0,0,0,0|0,1,0]=3 643 B12R2.30 Cn1c(CO)cc2occc21 Amb24063682 [1,1,0,0,0,0|0,0,1]=3 644 B12R2.30 Cn1c(CO)cc2sccc21 Amb2723686 [1,1,0,0,0,0|0,1,1]=4 645 B12R2.364 Cc1cc2sc(C=O)cc2s1 Amb25151691 [1,1,0,0,0,0|1,1,0]=4 646 B12R2.364 O=Cc1cc2sc(Br)cc2s1 Amb18154598 [1,1,0,0,0,0|1,1,0]=4 647 B12R2.364 O=Cc1nc2cc(Br)oc2s1 Amb18745439 [1,1,0,0,0,0|1,0,1]=4 648 B12R2.2040 Cc1noc2cc(C=O)sc12 Amb18199522 [1,1,0,0,0,0|2,0,0]=4 649 B12R2.2040 O=Cc1cc2c(s1)C(=O)CO2 Amb18199339 [1,1,0,0,0,0|1,0,1]=4 650 B12R2.2040 O=Cc1cc2scc(Br)c2s1 Amb33746689 [1,1,0,0,0,0|1,1,0]=4 651 B14R2.601 Cc1cc2c(s1)C=C(C(=O)O)SC2 Amb20528461 [0,1,0,0,0,1|1,1,0]=4 652 B14R2.601 Cc1cc2cc(C(=O)O)ccc2o1 Amb1099008 [0,1,0,0,0,1|1,0,0]=3 653 B14R2.601 Cc1cc2cc(C(=O)O)ncc2o1 Amb28129273 [0,1,0,0,0,1|1,0,0]=3 654 B14R2.601 Cc1cc2ccc(C(=O)O)cc2s1 Amb27659261 [0,1,0,0,0,1|1,1,0]=4 655 B14R2.601 Cc1cc2cnc(C(=O)O)cc2o1 Amb18196459 [0,1,0,0,0,1|0,0,1]=3 656 B14R2.601 Cc1cc2cnc(C(=O)O)cc2s1 Amb18190373 [0,1,0,0,0,1|0,1,1]=4 657 B14R2.601 Cc1nc2cc(C(=O)O)ccc2o1 Amb8629962 [0,1,0,0,0,1|2,0,0]=4 658 B14R2.601 Cc1nc2cc(C(=O)O)cnc2o1 Amb21965102 [0,1,0,0,0,1|2,0,0]=4 659 B14R2.601 Cc1nc2ccc(C(=O)O)cc2o1 Amb8629961 [0,1,0,0,0,1|2,0,0]=4 660 B14R2.601 Cc1nc2ncc(C(=O)O)cc2o1 Amb27760865 [0,1,0,0,0,1|1,0,1]=4 661 B14R2.601 Nc1cc2ncc(C(=O)O)cc2s1 Amb18189943 [0,1,0,0,0,1|0,1,1]=4 662 B14R2.601 Nc1nc2cc(C(=O)O)ccc2o1 Amb23527683 [0,1,0,0,0,1|2,0,0]=4 663 B14R2.601 Nc1nc2cc(C(=O)O)cnc2o1 Amb27209630 [0,1,0,0,0,1|2,0,0]=4 664 B14R2.601 Nc1nc2ccc(C(=O)O)cc2o1 Amb19515264 [0,1,0,0,0,1|2,0,0]=4 665 B14R2.601 Nc1nc2ncc(C(=O)O)cc2o1 Amb33804863 [0,1,0,0,0,1|1,0,1]=4 666 B14R2.601 O=C(O)c1cc2oc(Br)cc2cn1 Amb27193902 [0,1,0,0,0,1|0,0,1]=3 667 B14R2.601 O=C(O)c1ccc2cc(Br)oc2n1 Amb28053097 [0,1,0,0,0,1|2,0,0]=4 668 B14R2.601 O=C(O)c1ccc2cc(Cl)sc2c1 Amb28323589 [0,1,0,0,0,1|1,1,0]=4 669 B14R2.601 O=C(O)c1ccc2cc(O)sc2c1 Amb28051727 [0,1,0,0,0,1|1,1,0]=4 670 B14R2.601 O=C(O)c1ccc2nc(Br)oc2c1 Amb26500517 [0,1,0,0,0,1|2,0,0]=4 671 B14R2.601 O=C(O)c1ccc2nc(F)oc2c1 Amb26568162 [0,1,0,0,0,1|2,0,0]=4 672 B14R2.601 O=C(O)c1ccc2nc(I)oc2c1 Amb26907603 [0,1,0,0,0,1|2,0,0]=4 673 B14R2.601 O=C(O)c1ccc2nc(S)oc2c1 Amb19515488 [0,1,0,0,0,1|2,0,0]=4 674 B14R2.601 O=C(O)c1ccc2oc(Cl)cc2n1 Amb27462378 [0,1,0,0,0,1|0,0,1]=3 675 B14R2.601 O=C(O)c1ccc2oc(Cl)nc2c1 Amb24054160 [0,1,0,0,0,1|2,0,0]=4 676 B14R2.601 O=C(O)c1ccc2oc(F)nc2c1 Amb27782237 [0,1,0,0,0,1|2,0,0]=4 677 B14R2.601 O=C(O)c1ccc2oc(I)nc2c1 Amb28133107 [0,1,0,0,0,1|2,0,0]=4 678 B14R2.601 O=C(O)c1ccc2oc(S)nc2c1 Amb6373368 [0,1,0,0,0,1|2,0,0]=4 679 B14R2.601 O=C(O)c1cnc2oc(Br)nc2c1 Amb27959045 [0,1,0,0,0,1|2,0,0]=4 680 B14R2.601 O=C(O)c1cnc2oc(Cl)nc2c1 Amb27959046 [0,1,0,0,0,1|2,0,0]=4 681 B14R2.601 O=C1Cc2ccc(C(=O)O)cc2O1 Amb28436861 [0,1,0,0,0,1|1,0,1]=4 682 B14R2.601 O=C1Nc2cc(C(=O)O)ccc2O1 Amb18537810 [0,1,0,0,0,1|2,0,0]=4 683 B14R2.601 O=C1Nc2ccc(C(=O)O)cc2O1 Amb18537809 [0,1,0,0,0,1|2,0,0]=4 684 B14R2.601 O=C1Nc2nc(C(=O)O)ccc2O1 Amb26304218 [0,1,0,0,0,1|1,0,1]=4 685 B14R2.601 O=C1Oc2ccc(C(=O)O)cc2O1 Amb27179343 [0,1,0,0,0,1|2,0,0]=4 686 B14R2.601 O=C1Oc2ccc(C(=O)O)cc2S1 Amb27494987 [0,1,0,0,0,1|2,0,0]=4 687 B14R2.624 CC(=O)c1cc2ccoc2cc1O Amb18127563 [0,1,0,0,0,1|2,0,0]=4 688 B14R2.624 CC(=O)c1cc2occc2cc1O Amb25989318 [0,1,0,0,0,1|2,0,0]=4 689 B14R2.624 Cc1cc2ccoc2cc1C(=O)O Amb27966853 [0,1,0,0,0,1|1,0,0]=3 690 B14R2.624 Cc1cc2ccsc2cc1C(=O)O Amb18129953 [0,1,0,0,0,1|1,1,0]=4 691 B14R2.624 Cc1nc2ccsc2cc1C(=O)O Amb4560311 [0,1,0,0,0,1|0,1,1]=4 692 B14R2.624 Cc1nc2occc2cc1C(=O)O Amb28320768 [0,1,0,0,0,1|1,0,0]=3 693 B14R2.624 O=C(O)C1=Cc2ccsc2NC1=O Amb18189567 [0,1,0,0,0,1|1,1,0]=4 694 B14R2.624 O=C(O)c1cc2ccoc2cc1F Amb31156374 [0,1,0,0,0,1|1,0,0]=3 695 B14R2.624 O=C(O)c1cc2ccsc2cc1F Amb27179315 [0,1,0,0,0,1|1,1,0]=4 696 B14R2.624 O=C(O)c1cc2ccsc2oc1=O Amb5720013 [0,1,0,0,0,1|1,1,0]=4 697 B14R2.624 O=C(O)c1cc2occc2cc1F Amb24365902 [0,1,0,0,0,1|1,0,0]=3 698 B14R2.624 O=C(O)c1cc2sccc2cc1O Amb28196458 [0,1,0,0,0,1|1,1,0]=4 699 B14R2.624 O=C(O)c1cc2sccc2nc1Cl Amb18657514 [0,1,0,0,0,1|0,1,1]=4 700 B14R2.966 C=CC(=O)c1ccc2occc2c1 Amb33344394 [0,1,0,0,0,1|2,0,0]=4 701 B14R2.966 CNC(=O)c1ccc2occc2c1 Amb28120039 [0,1,0,0,0,1|2,0,0]=4 702 B14R2.966 COC(=O)c1cc2ccoc2cn1 Amb22898850 [0,1,0,0,0,1|1,0,0]=3 703 B14R2.966 COC(=O)c1cc2oncc2cn1 Amb28141942 [0,1,0,0,0,1|1,0,1]=4 704 B14R2.966 COC(=O)c1cc2sccc2cn1 Amb24394334 [0,1,0,0,0,1|0,1,1]=4 705 B14R2.966 COC(=O)c1ccc2ccoc2c1 Amb21964802 [0,1,0,0,0,1|1,0,0]=3 706 B14R2.966 COC(=O)c1ccc2ccoc2n1 Amb33995083 [0,1,0,0,0,1|2,0,0]=4 707 B14R2.966 COC(=O)c1ccc2ncoc2c1 Amb21857275 [0,1,0,0,0,1|2,0,0]=4 708 B14R2.966 COC(=O)c1ccc2occc2c1 Amb2797842 [0,1,0,0,0,1|1,0,0]=3 709 B14R2.966 COC(=O)c1ccc2occc2n1 Amb26471002 [0,1,0,0,0,1|0,0,1]=3 710 B14R2.966 COC(=O)c1ccc2ocnc2c1 Amb2608775 [0,1,0,0,0,1|2,0,0]=4 711 B14R2.966 COC(=O)c1ccc2oncc2c1 Amb33716130 [0,1,0,0,0,1|2,0,0]=4 712 B14R2.966 COC(=O)c1ccc2sccc2c1 Amb25121220 [0,1,0,0,0,1|1,1,0]=4 713 B14R2.966 COC(=O)c1ccc2sccc2n1 Amb26304282 [0,1,0,0,0,1|0,1,1]=4 714 B14R2.966 COC(=O)c1cnc2ccoc2c1 Amb25211908 [0,1,0,0,0,1|0,0,1]=3 715 B14R2.966 COC(=O)c1cnc2ncoc2c1 Amb32691509 [0,1,0,0,0,1|1,0,1]=4 716 B14R2.966 COC(=O)c1cnc2occc2c1 Amb24330969 [0,1,0,0,0,1|1,0,0]=3 717 B14R2.966 COC(=O)c1cnc2sccc2c1 Amb27433490 [0,1,0,0,0,1|1,1,0]=4 718 B14R2.966 N=C(NO)c1ccc2occc2c1 Amb26575474 [0,1,0,0,0,1|2,0,0]=4 719 B14R2.966 NCC(=O)c1ccc2occc2c1 Amb18676626 [0,1,0,0,0,1|2,0,0]=4 720 B14R2.966 NNC(=O)c1ccc2occc2c1 Amb27169317 [0,1,0,0,0,1|2,0,0]=4 721 B14R2.966 O=C(CBr)c1ccc2occc2c1 Amb2723110 [0,1,0,0,0,1|2,0,0]=4 722 B14R2.966 O=C(CO)c1ccc2ncoc2c1 Amb25776931 [0,1,0,0,0,1|2,0,0]=4 723 B14R2.966 O=C(NO)c1ccc2occc2c1 Amb27631577 [0,1,0,0,0,1|1,0,0]=3 724 B14R2.966 O=C(NO)c1ccc2sccc2c1 Amb28204798 [0,1,0,0,0,1|1,1,0]=4 725 B14R2.5719 Cc1coc2cc(C(=O)O)ncc12 Amb18196445 [0,1,0,0,0,1|0,0,1]=3 726 B14R2.5719 Cc1csc2c1CSC(C(=O)O)=C2 Amb20528462 [0,1,0,0,0,1|1,1,0]=4 727 B14R2.5719 Cc1csc2cc(C(=O)O)ccc12 Amb18129952 [0,1,0,0,0,1|1,1,0]=4 728 B14R2.5719 Cc1csc2cc(C(=O)O)cnc12 Amb26039327 [0,1,0,0,0,1|0,1,1]=4 729 B14R2.5719 Cn1ccc2cc(C(=O)O)ccc21 Amb2723693 [0,1,0,0,0,1|2,0,0]=4 730 B14R2.5719 Cn1ccc2cc(C(=O)O)cnc21 Amb13885141 [0,1,0,0,0,1|2,0,0]=4 731 B14R2.5719 Cn1ccc2cc(C(=O)O)ncc21 Amb18197021 [0,1,0,0,0,1|2,0,0]=4 732 B14R2.5719 O=C(O)c1ccc2c(Cl)coc2c1 Amb27454176 [0,1,0,0,0,1|1,0,0]=3 733 B14R2.5998 CC(=O)c1ccc2occc2c1O Amb26520947 [0,1,0,0,0,1|2,0,0]=4 734 B14R2.5998 CC(=O)c1cnc2occc2c1C Amb27851604 [0,1,0,0,0,1|2,0,0]=4 735 B14R2.5998 Cc1c(C(=O)O)ccc2ccsc12 Amb27447863 [0,1,0,0,0,1|1,1,0]=4 736 B14R2.5998 Cc1c(C(=O)O)ccc2occc12 Amb27443223 [0,1,0,0,0,1|1,0,0]=3 737 B14R2.5998 Cc1c(C(=O)O)ccc2sccc12 Amb22900933 [0,1,0,0,0,1|1,1,0]=4 738 B14R2.5998 Cc1c(C(=O)O)cnc2ccsc12 Amb27461413 [0,1,0,0,0,1|0,1,1]=4 739 B14R2.5998 Cc1c(C(=O)O)cnc2oncc12 Amb18195742 [0,1,0,0,0,1|2,0,0]=4 740 B14R2.5998 Nc1c(C(=O)O)cnc2occc12 Amb28245953 [0,1,0,0,0,1|1,0,0]=3 741 B14R2.5998 Nc1c(C(=O)O)cnc2oncc12 Amb27215650 [0,1,0,0,0,1|2,0,0]=4 742 B14R2.5998 Nc1c(C(=O)O)cnc2sccc12 Amb27861129 [0,1,0,0,0,1|1,1,0]=4 743 B14R2.5998 O=C(O)C1=CNc2ccnn2C1=O Amb20241861 [0,1,0,0,0,1|2,0,0]=4 744 B14R2.5998 O=C(O)C1=CNc2ccoc2C1=O Amb18195018 [0,1,0,0,0,1|0,0,0]=2 745 B14R2.5998 O=C(O)C1=CNc2ccsc2C1=O Amb18189571 [0,1,0,0,0,1|0,1,0]=3 746 B14R2.5998 O=C(O)C1=CNc2cscc2C1=O Amb18189570 [0,1,0,0,0,1|2,0,0]=4 747 B14R2.5998 O=C(O)C1=CNc2scnc2C1=O Amb27162774 [0,1,0,0,0,1|2,0,0]=4 748 B14R2.5998 O=C(O)C1=CNn2cccc2C1=O Amb27179339 [0,1,0,0,0,1|2,0,0]=4 749 B14R2.5998 O=C(O)c1ccc2ccsc2c1O Amb24488905 [0,1,0,0,0,1|1,1,0]=4 750 B14R2.5998 O=C(O)c1ccc2occc2c1O Amb18195743 [0,1,0,0,0,1|1,0,0]=3 751 B14R2.5998 O=C(O)c1ccc2sccc2c1O Amb26585217 [0,1,0,0,0,1|1,1,0]=4 752 B14R2.5998 O=C(O)c1cnc2ccsc2c1Cl Amb22490909 [0,1,0,0,0,1|0,1,1]=4 753 B14R2.5998 O=C(O)c1cnc2occc2c1Cl Amb18188191 [0,1,0,0,0,1|1,0,0]=3 754 B14R2.5998 O=C(O)c1cnc2sccc2c1Cl Amb18173790 [0,1,0,0,0,1|1,1,0]=4 755 B14R2.5998 O=C(O)c1ncc2ccsc2c1O Amb27215073 [0,1,0,0,0,1|0,1,1]=4 756 B14R2.8824 Cc1cc(C(=O)O)cc2ncoc12 Amb18560472 [0,1,0,0,0,1|2,0,0]=4 757 B14R2.8824 Cc1cc(C(=O)O)nc2cnoc12 Amb28435315 [0,1,0,0,0,1|1,0,1]=4 758 B14R2.8824 Cc1nc(C(=O)O)cc2occc12 Amb18196444 [0,1,0,0,0,1|0,0,1]=3 759 B14R2.8824 Cc1nc(C(=O)O)cc2sccc12 Amb18190335 [0,1,0,0,0,1|0,1,1]=4 760 B14R2.8824 NC(=O)c1cc(O)c2ccoc2c1 Amb27751500 [0,1,0,0,0,1|2,0,0]=4 761 B14R2.8824 O=C(O)C1=CC(=O)n2nccc2N1 Amb28244789 [0,1,0,0,0,1|2,0,0]=4 762 B14R2.8824 O=C(O)C1=Cc2ccsc2C(=O)N1 Amb18652073 [0,1,0,0,0,1|1,1,0]=4 763 B14R2.8824 O=C(O)C1=Cc2cscc2C(=O)N1 Amb18130173 [0,1,0,0,0,1|2,0,0]=4 764 B14R2.8824 O=C(O)C1=Cc2occc2C(=O)C1 Amb28243382 [0,1,0,0,0,1|1,0,0]=3 765 B14R2.8824 O=C(O)C1=Cc2sccc2C(=O)N1 Amb18130172 [0,1,0,0,0,1|0,1,0]=3 766 B14R2.8824 O=C(O)C1=Nc2ccoc2C(=O)N1 Amb18824578 [0,1,0,0,0,1|0,0,1]=3 767 B14R2.8824 O=C(O)C1=Nc2ccsc2C(=O)N1 Amb18813376 [0,1,0,0,0,1|0,1,1]=4 768 B14R2.8824 O=C(O)C1=Nc2sccc2C(=O)N1 Amb18542374 [0,1,0,0,0,1|1,1,0]=4 769 B14R2.8824 O=C(O)c1cc(Br)c2occc2c1 Amb28398170 [0,1,0,0,0,1|1,0,0]=3 770 B14R2.8824 O=C(O)c1cc(Br)c2occc2n1 Amb34144747 [0,1,0,0,0,1|0,0,1]=3 771 B14R2.8824 O=C(O)c1cc(Cl)c2ccsc2c1 Amb27246845 [0,1,0,0,0,1|1,1,0]=4 772 B14R2.8824 O=C(O)c1cc(Cl)c2ncoc2c1 Amb28129258 [0,1,0,0,0,1|2,0,0]=4 773 B14R2.8824 O=C(O)c1cc(Cl)c2oncc2c1 Amb27209931 [0,1,0,0,0,1|2,0,0]=4 774 B14R2.8824 O=C(O)c1cc(Cl)c2sccc2n1 Amb27859843 [0,1,0,0,0,1|0,1,1]=4 775 B14R2.8824 O=C(O)c1cc(F)c2occc2c1 Amb27633566 [0,1,0,0,0,1|1,0,0]=3 776 B14R2.8824 O=C(O)c1cc(O)c2ccoc2c1 Amb18128039 [0,1,0,0,0,1|1,0,0]=3 777 B14R2.8824 O=C(O)c1cc(O)c2ccsc2c1 Amb18669674 [0,1,0,0,0,1|1,1,0]=4 778 B14R2.8824 O=C(O)c1cc(O)c2sccc2c1 Amb23585427 [0,1,0,0,0,1|1,1,0]=4 779 B14R2.8824 O=C(O)c1cc2ccoc2c(Cl)n1 Amb26881360 [0,1,0,0,0,1|1,0,0]=3 780 B14R2.24358 Cc1coc2ccc(C(=O)O)cc12 Amb24062161 [0,1,0,0,0,1|1,0,0]=3 781 B14R2.24358 Cc1csc2ccc(C(=O)O)cc12 Amb2614626 [0,1,0,0,0,1|1,1,0]=4 782 B14R2.24358 Cc1noc2ccc(C(=O)O)cc12 Amb28249563 [0,1,0,0,0,1|2,0,0]=4 783 B14R2.24358 Cc1noc2ncc(C(=O)O)cc12 Amb1106419 [0,1,0,0,0,1|2,0,0]=4 784 B14R2.24358 Cn1ccc2ccc(C(=O)O)cc21 Amb2723768 [0,1,0,0,0,1|2,0,0]=4 785 B14R2.24358 Cn1ccc2ncc(C(=O)O)cc21 Amb25898504 [0,1,0,0,0,1|1,0,1]=4 786 B14R2.24358 Nc1csc2ccc(C(=O)O)cc12 Amb33306882 [0,1,0,0,0,1|1,1,0]=4 787 B14R2.24358 Nc1csc2ncc(C(=O)O)cc12 Amb18189940 [0,1,0,0,0,1|1,1,0]=4 788 B14R2.24358 Nc1noc2ccc(C(=O)O)cc12 Amb27239968 [0,1,0,0,0,1|2,0,0]=4 789 B14R2.24358 O=C(O)c1cc2c(Br)coc2cn1 Amb27644682 [0,1,0,0,0,1|1,0,0]=3 790 B14R2.24358 O=C(O)c1cc2c(Br)csc2cn1 Amb27237226 [0,1,0,0,0,1|1,1,0]=4 791 B14R2.24358 O=C(O)c1ccc2occ(Br)c2c1 Amb24328700 [0,1,0,0,0,1|1,0,0]=3 792 B14R2.24358 O=C(O)c1ccc2occ(Br)c2n1 Amb26057440 [0,1,0,0,0,1|0,0,1]=3 793 B14R2.24358 O=C(O)c1ccc2scc(Br)c2c1 Amb27263705 [0,1,0,0,0,1|1,1,0]=4 794 B14R2.24358 O=C(O)c1ccc2scc(O)c2c1 Amb33306879 [0,1,0,0,0,1|1,1,0]=4 795 B14R2.24358 O=C(O)c1cnc2onc(Cl)c2c1 Amb18187856 [0,1,0,0,0,1|2,0,0]=4 796 B14R2.450 CC(=O)c1cc2ccccc2n1C Amb10808756 [0,1,0,0,0,1|2,0,0]=4 797 B14R2.450 CC(=O)c1cc2ccccc2n1N Amb18197684 [0,1,0,0,0,1|2,0,0]=4 798 B14R2.450 CC(=O)c1cc2ccccc2n1O Amb26493236 [0,1,0,0,0,1|2,0,0]=4 799 B14R2.450 CC1=C(C(=O)O)Cc2ccccc21 Amb6201317 [0,1,0,0,0,1|2,0,0]=4 800 B14R2.450 CC1C(C(=O)O)=Cc2ccccc21 Amb8392929 [0,1,0,0,0,1|2,0,0]=4 801 B14R2.450 Cc1c(C(=O)O)oc2ccccc12 Amb6335226 [0,1,0,0,0,1|2,0,0]=4 802 B14R2.450 Cc1c(C(=O)O)oc2cccnc12 Amb22372214 [0,1,0,0,0,1|2,0,0]=4 803 B14R2.450 Cc1c(C(=O)O)oc2cnccc12 Amb27863433 [0,1,0,0,0,1|2,0,0]=4 804 B14R2.450 Cc1c(C(=O)O)sc2ccccc12 Amb1219874 [0,1,0,0,0,1|2,0,0]=4 805 B14R2.450 Cc1c(C(=O)O)sc2ncccc12 Amb27433246 [0,1,0,0,0,1|2,0,0]=4 806 B14R2.450 Cn1c(C(=O)Cl)cc2ccccc21 Amb19958210 [0,1,0,0,0,1|2,0,0]=4 807 B14R2.450 Cn1c(C(=O)O)cc2ccccc21 Amb1832457 [0,1,0,0,0,1|1,0,0]=3 808 B14R2.450 Cn1c(C(=O)O)cc2cccnc21 Amb18147767 [0,1,0,0,0,1|1,0,0]=3 809 B14R2.450 Cn1c(C(=O)O)cc2ccncc21 Amb24069757 [0,1,0,0,0,1|1,0,0]=3 810 B14R2.450 Cn1c(C(=O)O)cc2cncnc21 Amb18680931 [0,1,0,0,0,1|2,0,0]=4 811 B14R2.450 Cn1c(C(=O)O)nc2ccccc21 Amb2723073 [0,1,0,0,0,1|2,0,0]=4 812 B14R2.450 Cn1c(C(=O)O)nc2cccnc21 Amb8009398 [0,1,0,0,0,1|2,0,0]=4 813 B14R2.450 Cn1c(C(=O)O)nc2ccncc21 Amb28128262 [0,1,0,0,0,1|2,0,0]=4 814 B14R2.450 Cn1c(C(=O)O)nc2cnccc21 Amb18196329 [0,1,0,0,0,1|2,0,0]=4 815 B14R2.450 Cn1c(C(=O)O)nc2ncccc21 Amb28396634 [0,1,0,0,0,1|2,0,0]=4 816 B14R2.450 Cn1c(C(=O)O)pc2ccccc21 Amb28291635 [0,1,0,0,0,1|2,0,0]=4 817 B14R2.450 Cn1c(C(N)=O)cc2ccccc21 Amb2613608 [0,1,0,0,0,1|2,0,0]=4 818 B14R2.450 NC(=O)c1cc2ccccc2n1N Amb28073994 [0,1,0,0,0,1|2,0,0]=4 819 B14R2.450 Nc1c(C(=O)O)oc2ccccc12 Amb18118466 [0,1,0,0,0,1|2,0,0]=4 820 B14R2.450 Nc1c(C(=O)O)oc2ncccc12 Amb18683855 [0,1,0,0,0,1|2,0,0]=4 821 B14R2.450 Nc1c(C(=O)O)sc2ccccc12 Amb845439 [0,1,0,0,0,1|2,0,0]=4 822 B14R2.450 Nc1c(C(=O)O)sc2cccnc12 Amb13890619 [0,1,0,0,0,1|2,0,0]=4 823 B14R2.450 Nc1c(C(=O)O)sc2cnccc12 Amb18189949 [0,1,0,0,0,1|2,0,0]=4 824 B14R2.450 Nc1c(C(=O)O)sc2ncccc12 Amb1915158 [0,1,0,0,0,1|2,0,0]=4 825 B14R2.450 Nc1c(C(=O)O)sc2nccnc12 Amb2724994 [0,1,0,0,0,1|2,0,0]=4 826 B14R2.450 O=C(O)C1=C(Cl)c2ccccc2C1 Amb27266149 [0,1,0,0,0,1|2,0,0]=4 827 B14R2.450 O=C(O)C1=Cc2ccccc2C1O Amb26471384 [0,1,0,0,0,1|2,0,0]=4 828 B14R2.450 O=C(O)C1Nc2ccccc2C1=O Amb17594502 [0,1,0,0,0,1|1,0,1]=4 829 B14R2.450 O=C(O)c1[se]c2ccccc2c1Br Amb1147928 [0,1,0,0,0,1|2,0,0]=4 830 B14R2.450 O=C(O)c1nc2ccccc2n1O Amb2795925 [0,1,0,0,0,1|2,0,0]=4 831 B14R2.450 O=C(O)c1oc2ccccc2c1Br Amb18136322 [0,1,0,0,0,1|2,0,0]=4 832 B14R2.450 O=C(O)c1oc2ccccc2c1Cl Amb18188662 [0,1,0,0,0,1|2,0,0]=4 833 B14R2.450 O=C(O)c1oc2cnccc2c1Br Amb27209753 [0,1,0,0,0,1|2,0,0]=4 834 B14R2.450 O=C(O)c1oc2ncccc2c1O Amb27409737 [0,1,0,0,0,1|2,0,0]=4 835 B14R2.450 O=C(O)c1oc2nccnc2c1Cl Amb18187857 [0,1,0,0,0,1|2,0,0]=4 836 B14R2.450 O=C(O)c1sc2ccccc2c1Br Amb20672009 [0,1,0,0,0,1|2,0,0]=4 837 B14R2.450 O=C(O)c1sc2ccccc2c1Cl Amb6335588 [0,1,0,0,0,1|2,0,0]=4 838 B14R2.450 O=C(O)c1sc2ccccc2c1F Amb28196507 [0,1,0,0,0,1|2,0,0]=4 839 B14R2.450 O=C(O)c1sc2ccccc2c1I Amb22751342 [0,1,0,0,0,1|2,0,0]=4 840 B14R2.450 O=C(O)c1sc2ccccc2c1O Amb16230697 [0,1,0,0,0,1|2,0,0]=4 841 B14R2.450 O=C(O)c1sc2ccccc2c1S Amb18131197 [0,1,0,0,0,1|2,0,0]=4 842 B14R2.450 O=C(O)c1sc2cccnc2c1Br Amb27587207 [0,1,0,0,0,1|2,0,0]=4 843 B14R2.450 O=C(O)c1sc2cccnc2c1Cl Amb24578851 [0,1,0,0,0,1|2,0,0]=4 844 B14R2.450 O=C(O)c1sc2ccncc2c1Cl Amb27962564 [0,1,0,0,0,1|2,0,0]=4 845 B14R2.450 O=C(O)c1sc2ncccc2c1Br Amb18692442 [0,1,0,0,0,1|2,0,0]=4 846 B14R2.450 O=C(O)c1sc2ncccc2c1Cl Amb5721089 [0,1,0,0,0,1|2,0,0]=4 847 B14R2.450 O=C(O)c1sc2nccnc2c1Cl Amb18173914 [0,1,0,0,0,1|2,0,0]=4 848 B14R2.972 COC(=O)C1=Cc2ccccc2C1 Amb25776174 [0,1,0,0,0,1|2,0,0]=4 849 B14R2.972 COC(=O)c1cc2ccccc2o1 Amb2438530 [0,1,0,0,0,1|2,0,0]=4 850 B14R2.972 COC(=O)c1cc2ccccc2s1 Amb1089421 [0,1,0,0,0,1|2,0,0]=4 851 B14R2.972 COC(=O)c1cc2cccnc2s1 Amb10975342 [0,1,0,0,0,1|2,0,0]=4 852 B14R2.972 COC(=O)c1cc2ccncc2s1 Amb20075908 [0,1,0,0,0,1|2,0,0]=4 853 B14R2.972 COC(=O)c1cc2cnccc2s1 Amb25897258 [0,1,0,0,0,1|2,0,0]=4 854 B14R2.972 COC(=O)c1cc2ncccc2s1 Amb9677683 [0,1,0,0,0,1|2,0,0]=4 855 B14R2.972 COC(=O)c1cc2nccnc2s1 Amb24179185 [0,1,0,0,0,1|2,0,0]=4 856 B14R2.972 O=C(CO)c1cc2ccccc2o1 Amb18808836 [0,1,0,0,0,1|2,0,0]=4 857 B14R2.972 O=C(CO)c1cc2ccccc2s1 Amb27462459 [0,1,0,0,0,1|2,0,0]=4 858 B14R2.972 O=C(NO)c1cc2ccccc2o1 Amb6279288 [0,1,0,0,0,1|2,0,0]=4 859 B14R2.4529 CC1=CC=N2C=C(C(=O)O)NC2=N1 Amb31128509 [0,1,0,0,0,1|2,0,0]=4 860 B14R2.4529 Cc1ccc2cc(C(=O)O)oc2c1 Amb7088969 [0,1,0,0,0,1|2,0,0]=4 861 B14R2.4529 Cc1ccc2cc(C(=O)O)sc2c1 Amb5328964 [0,1,0,0,0,1|2,0,0]=4 862 B14R2.4529 Cc1ccc2cc(C(=O)O)sc2n1 Amb18190384 [0,1,0,0,0,1|2,0,0]=4 863 B14R2.4529 Cc1ccc2oc(C(=O)O)cc2c1 Amb1950844 [0,1,0,0,0,1|2,0,0]=4 864 B14R2.4529 Cc1ccc2oc(C(=O)O)cc2n1 Amb19358168 [0,1,0,0,0,1|2,0,0]=4 865 B14R2.4529 Cc1ccc2oc(C(=O)O)cc2n1 Amb9174202 [0,1,0,0,0,1|2,0,0]=4 866 B14R2.4529 Cc1ccc2sc(C(=O)O)cc2c1 Amb2724851 [0,1,0,0,0,1|2,0,0]=4 867 B14R2.4529 Cc1cnc2cc(C(=O)O)sc2n1 Amb18815172 [0,1,0,0,0,1|2,0,0]=4 868 B14R2.4529 Cc1cnc2sc(C(=O)O)cc2c1 Amb28369962 [0,1,0,0,0,1|2,0,0]=4 869 B14R2.4529 Cc1ncc2sc(C(=O)O)cc2n1 Amb18189946 [0,1,0,0,0,1|2,0,0]=4 870 B14R2.4529 Nc1ccc2cc(C(=O)O)oc2c1 Amb18670711 [0,1,0,0,0,1|2,0,0]=4 871 B14R2.4529 Nc1ccc2cc(C(=O)O)sc2c1 Amb18670820 [0,1,0,0,0,1|2,0,0]=4 872 B14R2.4529 Nc1ccc2oc(C(=O)O)cc2c1 Amb10975495 [0,1,0,0,0,1|2,0,0]=4 873 B14R2.4529 Nc1ccc2oc(C(=O)O)cc2c1 Amb9200655 [0,1,0,0,0,1|2,0,0]=4 874 B14R2.4529 Nc1ccc2sc(C(=O)O)cc2c1 Amb2196730 [0,1,0,0,0,1|2,0,0]=4 875 B14R2.4529 Nc1ccc2sc(C(=O)O)cc2c1 Amb2455030 [0,1,0,0,0,1|2,0,0]=4 876 B14R2.4529 Nc1cnc2sc(C(=O)O)cc2c1 Amb18190022 [0,1,0,0,0,1|2,0,0]=4 877 B14R2.4529 O=C(O)C1=Cc2ccc(Cl)cc2C1 Amb27657657 [0,1,0,0,0,1|2,0,0]=4 878 B14R2.4529 O=C(O)c1cc2cc(Br)ccc2o1 Amb1091880 [0,1,0,0,0,1|2,0,0]=4 879 B14R2.4529 O=C(O)c1cc2cc(Br)ccc2s1 Amb2423290 [0,1,0,0,0,1|2,0,0]=4 880 B14R2.4529 O=C(O)c1cc2cc(Br)cnc2s1 Amb26512877 [0,1,0,0,0,1|2,0,0]=4 881 B14R2.4529 O=C(O)c1cc2cc(Cl)ccc2o1 Amb1154613 [0,1,0,0,0,1|2,0,0]=4 882 B14R2.4529 O=C(O)c1cc2cc(Cl)ccc2s1 Amb5328936 [0,1,0,0,0,1|2,0,0]=4 883 B14R2.4529 O=C(O)c1cc2cc(Cl)ncc2o1 Amb27748849 [0,1,0,0,0,1|2,0,0]=4 884 B14R2.4529 O=C(O)c1cc2cc(F)ccc2o1 Amb9174483 [0,1,0,0,0,1|2,0,0]=4 885 B14R2.4529 O=C(O)c1cc2cc(F)ccc2s1 Amb1154250 [0,1,0,0,0,1|2,0,0]=4 886 B14R2.4529 O=C(O)c1cc2cc(F)cnc2s1 Amb32655501 [0,1,0,0,0,1|2,0,0]=4 887 B14R2.4529 O=C(O)c1cc2cc(I)ccc2o1 Amb22751603 [0,1,0,0,0,1|2,0,0]=4 888 B14R2.4529 O=C(O)c1cc2cc(O)ccc2o1 Amb13881926 [0,1,0,0,0,1|2,0,0]=4 889 B14R2.4529 O=C(O)c1cc2cc(O)ccc2s1 Amb18130069 [0,1,0,0,0,1|2,0,0]=4 890 B14R2.4529 O=C(O)c1cc2ccc(Br)cc2o1 Amb2446994 [0,1,0,0,0,1|2,0,0]=4 891 B14R2.4529 O=C(O)c1cc2ccc(Br)cc2s1 Amb5328958 [0,1,0,0,0,1|2,0,0]=4 892 B14R2.4529 O=C(O)c1cc2ccc(Cl)cc2o1 Amb18188661 [0,1,0,0,0,1|2,0,0]=4 893 B14R2.4529 O=C(O)c1cc2ccc(Cl)cc2s1 Amb2237307 [0,1,0,0,0,1|2,0,0]=4 894 B14R2.4529 O=C(O)c1cc2ccc(Cl)nc2o1 Amb18130437 [0,1,0,0,0,1|2,0,0]=4 895 B14R2.4529 O=C(O)c1cc2ccc(Cl)nc2s1 Amb32655496 [0,1,0,0,0,1|2,0,0]=4 896 B14R2.4529 O=C(O)c1cc2ccc(F)cc2o1 Amb18824570 [0,1,0,0,0,1|2,0,0]=4 897 B14R2.4529 O=C(O)c1cc2ccc(F)cc2s1 Amb1106075 [0,1,0,0,0,1|2,0,0]=4 898 B14R2.4529 O=C(O)c1cc2ccc(F)nc2s1 Amb32679673 [0,1,0,0,0,1|2,0,0]=4 899 B14R2.4529 O=C(O)c1cc2ccc(O)cc2o1 Amb21864630 [0,1,0,0,0,1|2,0,0]=4 900 B14R2.4529 O=C(O)c1cc2ccc(O)cc2s1 Amb27636509 [0,1,0,0,0,1|2,0,0]=4 901 B14R2.4529 O=C(O)c1cc2ccc(O)nc2s1 Amb33742098 [0,1,0,0,0,1|2,0,0]=4 902 B14R2.4529 O=C(O)c1cc2nc(Cl)ccc2s1 Amb32665221 [0,1,0,0,0,1|2,0,0]=4 903 B14R2.4529 O=C(O)c1cc2nc(Cl)cnc2s1 Amb27592898 [0,1,0,0,0,1|2,0,0]=4 904 B14R2.4529 O=C(O)c1cc2ncc(Br)cc2o1 Amb32712625 [0,1,0,0,0,1|2,0,0]=4 905 B14R2.4529 O=C(O)c1cc2ncc(Br)cc2s1 Amb27203688 [0,1,0,0,0,1|2,0,0]=4 906 B14R2.4529 O=C(O)c1cc2ncc(Cl)nc2o1 Amb18187858 [0,1,0,0,0,1|2,0,0]=4 907 B14R2.4529 O=C(O)c1cc2ncc(Cl)nc2s1 Amb18173917 [0,1,0,0,0,1|2,0,0]=4 908 B14R2.4529 O=C1C=C2C=C(C(=O)O)NC2=CN1 Amb27984992 [0,1,0,0,0,1|1,0,0]=3 909 B14R2.4529 O=C1C=C2SC(C(=O)O)=CC2=NN1 Amb27878700 [0,1,0,0,0,1|2,0,0]=4 910 B14R2.4529 O=C1C=Nc2sc(C(=O)O)cc2N1 Amb27623858 [0,1,0,0,0,1|2,0,0]=4 911 B14R2.7969 Cc1cccc2cc(C(=O)O)oc12 Amb33526870 [0,1,0,0,0,1|2,0,0]=4 912 B14R2.7969 Cc1cccc2cc(C(=O)O)sc12 Amb26304262 [0,1,0,0,0,1|2,0,0]=4 913 B14R2.7969 Cc1cccc2oc(C(=O)O)cc12 Amb18197060 [0,1,0,0,0,1|2,0,0]=4 914 B14R2.7969 Cc1cccc2sc(C(=O)O)cc12 Amb5328963 [0,1,0,0,0,1|2,0,0]=4 915 B14R2.7969 Cc1ccnc2oc(C(=O)O)cc12 Amb18683844 [0,1,0,0,0,1|2,0,0]=4 916 B14R2.7969 Cc1ccnc2sc(C(=O)O)cc12 Amb18147615 [0,1,0,0,0,1|2,0,0]=4 917 B14R2.7969 Cc1cncc2cc(C(=O)O)sc12 Amb33166600 [0,1,0,0,0,1|2,0,0]=4 918 B14R2.7969 Nc1cccc2cc(C(=O)O)oc12 Amb17606143 [0,1,0,0,0,1|2,0,0]=4 919 B14R2.7969 Nc1cccc2cc(C(=O)O)oc12 Amb9197957 [0,1,0,0,0,1|2,0,0]=4 920 B14R2.7969 Nc1cccc2cc(C(=O)O)sc12 Amb27771092 [0,1,0,0,0,1|2,0,0]=4 921 B14R2.7969 Nc1cccc2oc(C(=O)O)cc12 Amb18670700 [0,1,0,0,0,1|2,0,0]=4 922 B14R2.7969 Nc1cccc2sc(C(=O)O)cc12 Amb18138384 [0,1,0,0,0,1|2,0,0]=4 923 B14R2.7969 Nc1ccnc2sc(C(=O)O)cc12 Amb27636519 [0,1,0,0,0,1|2,0,0]=4 924 B14R2.7969 Nc1cncc2sc(C(=O)O)cc12 Amb18190021 [0,1,0,0,0,1|2,0,0]=4 925 B14R2.7969 Nc1nccc2oc(C(=O)O)cc12 Amb23539076 [0,1,0,0,0,1|2,0,0]=4 926 B14R2.7969 O=C(O)C1=CN2=C(O)C=CN=C2N1 Amb31128506 [0,1,0,0,0,1|2,0,0]=4 927 B14R2.7969 O=C(O)C1=CN2C(=O)C=CN=C2N1 Amb18194986 [0,1,0,0,0,1|2,0,0]=4 928 B14R2.7969 O=C(O)C1=CN2CC=CC(Br)=C2N1 Amb27879011 [0,1,0,0,0,1|2,0,0]=4 929 B14R2.7969 O=C(O)c1cc2c(Br)cccc2o1 Amb18730278 [0,1,0,0,0,1|2,0,0]=4 930 B14R2.7969 O=C(O)c1cc2c(Br)cccc2s1 Amb5328957 [0,1,0,0,0,1|2,0,0]=4 931 B14R2.7969 O=C(O)c1cc2c(Br)cncc2s1 Amb22170152 [0,1,0,0,0,1|2,0,0]=4 932 B14R2.7969 O=C(O)c1cc2c(Cl)cccc2o1 Amb18652523 [0,1,0,0,0,1|2,0,0]=4 933 B14R2.7969 O=C(O)c1cc2c(Cl)cccc2s1 Amb43692 [0,1,0,0,0,1|2,0,0]=4 934 B14R2.7969 O=C(O)c1cc2c(Cl)ccnc2s1 Amb33549375 [0,1,0,0,0,1|2,0,0]=4 935 B14R2.7969 O=C(O)c1cc2c(Cl)cncc2o1 Amb18188192 [0,1,0,0,0,1|2,0,0]=4 936 B14R2.7969 O=C(O)c1cc2c(Cl)cncc2s1 Amb25366041 [0,1,0,0,0,1|2,0,0]=4 937 B14R2.7969 O=C(O)c1cc2c(Cl)nccc2o1 Amb18130436 [0,1,0,0,0,1|2,0,0]=4 938 B14R2.7969 O=C(O)c1cc2c(Cl)nccc2s1 Amb19957352 [0,1,0,0,0,1|2,0,0]=4 939 B14R2.7969 O=C(O)c1cc2c(F)cccc2o1 Amb18824571 [0,1,0,0,0,1|2,0,0]=4 940 B14R2.7969 O=C(O)c1cc2c(F)cccc2s1 Amb1215726 [0,1,0,0,0,1|2,0,0]=4 941 B14R2.7969 O=C(O)c1cc2c(F)cncc2s1 Amb24087198 [0,1,0,0,0,1|2,0,0]=4 942 B14R2.7969 O=C(O)c1cc2c(O)cccc2o1 Amb27241405 [0,1,0,0,0,1|2,0,0]=4 943 B14R2.7969 O=C(O)c1cc2c(O)cccc2s1 Amb24392528 [0,1,0,0,0,1|2,0,0]=4 944 B14R2.7969 O=C(O)c1cc2c(O)nccc2o1 Amb26053848 [0,1,0,0,0,1|2,0,0]=4 945 B14R2.7969 O=C(O)c1cc2c(s1)C(=O)C=CN2 Amb18189572 [0,1,0,0,0,1|2,0,0]=4 946 B14R2.7969 O=C(O)c1cc2c(s1)C(=O)NC=C2 Amb27668154 [0,1,0,0,0,1|2,0,0]=4 947 B14R2.7969 O=C(O)c1cc2cccc(Br)c2o1 Amb7969836 [0,1,0,0,0,1|2,0,0]=4 948 B14R2.7969 O=C(O)c1cc2cccc(Br)c2s1 Amb19894989 [0,1,0,0,0,1|2,0,0]=4 949 B14R2.7969 O=C(O)c1cc2cccc(Cl)c2o1 Amb8875416 [0,1,0,0,0,1|2,0,0]=4 950 B14R2.7969 O=C(O)c1cc2cccc(Cl)c2s1 Amb5328932 [0,1,0,0,0,1|2,0,0]=4 951 B14R2.7969 O=C(O)c1cc2cccc(F)c2o1 Amb8873734 [0,1,0,0,0,1|2,0,0]=4 952 B14R2.7969 O=C(O)c1cc2cccc(F)c2s1 Amb6384468 [0,1,0,0,0,1|2,0,0]=4 953 B14R2.7969 O=C(O)c1cc2cccc(O)c2o1 Amb13881925 [0,1,0,0,0,1|2,0,0]=4 954 B14R2.7969 O=C(O)c1cc2cccc(O)c2s1 Amb18130068 [0,1,0,0,0,1|2,0,0]=4 955 B14R2.7969 O=C(O)c1cc2ccnc(Cl)c2s1 Amb26314011 [0,1,0,0,0,1|2,0,0]=4 956 B14R2.7969 O=C(O)c1cc2cncc(Br)c2s1 Amb32677691 [0,1,0,0,0,1|2,0,0]=4 957 B14R2.7969 O=C(O)c1cc2cncc(I)c2o1 Amb27448102 [0,1,0,0,0,1|2,0,0]=4 958 B14R2.7969 O=C(O)c1cc2nccc(Cl)c2s1 Amb22494146 [0,1,0,0,0,1|2,0,0]=4 959 B14R2.7969 O=C(O)c1cc2ncnc(Cl)c2s1 Amb19958502 [0,1,0,0,0,1|2,0,0]=4 960 B14R2.5615 Cn1ccc2sc(CC(=O)O)cc21 Amb18813906 [0,1,0,0,0,1|2,0,0]=4 961 B14R2.648 Cc1cc2c(cc(C(=O)O)n2C)o1 Amb19890412 [0,2,0,0,0,0|0,0,0]=2 962 B14R2.648 Cc1cc2c(cc(C(=O)O)n2C)s1 Amb16679456 [0,2,0,0,0,0|0,1,0]=3 963 B14R2.648 Cc1cc2oc(C(=O)O)c(N)c2s1 Amb18677853 [0,2,0,0,0,0|1,1,0]=4 964 B14R2.648 Cc1cc2sc(C(=O)O)c(C)c2s1 Amb2642767 [0,2,0,0,0,0|1,1,0]=4 965 B14R2.648 Cc1cc2sc(C(=O)O)c(N)c2s1 Amb18143684 [0,2,0,0,0,0|1,1,0]=4 966 B14R2.648 Cc1nc2c(cc(C(=O)O)n2C)s1 Amb27955140 [0,2,0,0,0,0|1,1,0]=4 967 B14R2.648 Cn1c(C(=O)O)cc2nc(Br)sc21 Amb27585564 [0,2,0,0,0,0|2,0,0]=4 968 B14R2.648 Cn1c(C(=O)O)cc2sc(Br)cc21 Amb20528081 [0,2,0,0,0,0|0,1,0]=3 969 B14R2.707 Cc1cc2sc(C(=O)O)cc2n1C Amb18137333 [0,2,0,0,0,0|2,0,0]=4 970 B14R2.707 Cc1sc2cc(C(=O)O)oc2c1C Amb18143652 [0,2,0,0,0,0|1,1,0]=4 971 B14R2.1194 CCc1cc2sc(C(=O)O)cc2s1 Amb18677877 [0,2,0,0,0,0|1,1,0]=4 972 B14R2.1194 CNc1cc2sc(C(=O)O)cc2s1 Amb33495833 [0,2,0,0,0,0|1,1,0]=4 973 B14R2.1194 COc1cc2cc(C(=O)O)sc2o1 Amb18811949 [0,2,0,0,0,0|2,0,0]=4 974 B14R2.1194 COc1cc2sc(C(=O)O)cc2s1 Amb18172377 [0,2,0,0,0,0|1,1,0]=4 975 B14R2.1194 O=Cc1cc2sc(C(=O)O)cc2s1 Amb33495836 [0,2,0,0,0,0|1,1,0]=4 976 B14R2.839 CCOC(=O)C1=NC2=CCOC2=C1 Amb26458735 [0,2,0,0,0,0|0,0,2]=4 977 B14R2.839 CCOC(=O)c1cc2nccc2n1 Amb28243439 [0,2,0,0,0,0|1,0,1]=4 978 B14R2.839 CONC(=O)c1cc2occc2s1 Amb27586206 [0,2,0,0,0,0|1,0,0]=3 979 B14R2.970 CNC(=O)c1cc2sccc2n1C Amb16197412 [0,2,0,0,0,0|1,1,0]=4 980 B14R2.970 COC(=O)c1cc2occc2n1C Amb4038124 [0,2,0,0,0,0|0,0,0]=2 981 B14R2.970 COC(=O)c1cc2occc2n1N Amb27434424 [0,2,0,0,0,0|0,0,0]=2 982 B14R2.970 COC(=O)c1cc2sccc2n1C Amb2723687 [0,2,0,0,0,0|0,1,0]=3 983 B14R2.10637 COC(=O)c1cc2scc(Br)c2s1 Amb33299261 [0,2,0,0,0,0|1,1,0]=4 984 B14R2.10637 COC(=O)c1cc2scc(Cl)c2s1 Amb2611770 [0,2,0,0,0,0|1,1,0]=4 985 B14R2.4281 CCn1c(C(=O)O)cc2ccsc21 Amb23450796 [0,2,0,0,0,0|2,0,0]=4 986 B14R2.4281 CCn1c(C(=O)O)cc2occc21 Amb7748849 [0,2,0,0,0,0|0,0,0]=2 987 B14R2.4281 CCn1c(C(=O)O)cc2sccc21 Amb7656826 [0,2,0,0,0,0|0,1,0]=3 988 B14R2.5617 Cn1ccc2c1cc(C(=O)O)n2C Amb19890427 [0,2,0,0,0,0|1,0,0]=3 989 B14R2.5617 O=C(O)c1sc2c(Br)csc2c1I Amb27648914 [0,2,0,0,0,0|1,1,0]=4 990 B14R2.5748 Cn1c(C(=O)O)cc2scc(Cl)c21 Amb23447071 [0,2,0,0,0,0|0,1,0]=3 991 B14R2.5748 Cn1ccc2oc(C(=O)O)c(Br)c21 Amb18155788 [0,2,0,0,0,0|2,0,0]=4 992 B14R2.5748 Cn1ccc2oc(C(=O)O)c(O)c21 Amb18193418 [0,2,0,0,0,0|2,0,0]=4 993 B14R2.5748 Cn1ccc2sc(C(=O)O)c(O)c21 Amb18188523 [0,2,0,0,0,0|2,0,0]=4 994 B14R2.6000 Cc1c(C(=O)O)n(C)c2sccc12 Amb18189482 [0,2,0,0,0,0|2,0,0]=4 995 B14R2.2327 O=Cc1csc2cc(C(=O)O)sc12 Amb18175697 [0,2,0,0,0,0|1,1,0]=4 996 B12R2.100 O=C1Nc2cocc2NC1=O Amb20664974 [0,0,1,1,0,0|2,0,0]=4 997 B12R2.100 Oc1cc2ccoc2cc1O Amb26981330 [0,0,1,1,0,0|2,0,0]=4 998 B12R2.83 O=c1ccc2ccoc2cc1 Amb2611624 [0,0,1,1,0,0|2,0,0]=4 999 B12R2.1362 CC(=O)c1ccc2n1CC=C2 Amb25759488 [0,0,1,1,0,0|2,0,0]=4 1000 B12R2.1362 O=C(O)c1ccc2sccn12 Amb18199524 [0,0,1,1,0,0|2,0,0]=4 1001 B12R2.1362 O=C(O)c1onc2occc12 Amb18201209 [0,0,1,1,0,0|2,0,0]=4 1002 B12R2.1362 O=C(O)c1scc2sccc12 Amb27467652 [0,0,1,1,0,0|1,1,0]=4 1003 B12R2.3190 O=C(O)C1=Cc2ccccc21 Amb17593654 [0,0,1,1,0,0|2,0,0]=4 1004 B10R1.23 C=C(C(=O)O)c1ccco1 Amb26317937 [0,0,1,0,1,0|1,0,0]=3 1005 B10R1.23 C=C(C(=O)O)c1cccs1 Amb17322162 [0,0,1,0,1,0|1,1,0]=4 1006 B10R1.23 C=C(C(=O)O)c1ccoc1 Amb28052846 [0,0,1,0,1,0|0,0,0]=2 1007 B10R1.23 C=C(C(=O)O)c1ccon1 Amb33197561 [0,0,1,0,1,0|1,0,0]=3 1008 B10R1.23 C=C(C(=O)O)c1ccsc1 Amb33428918 [0,0,1,0,1,0|0,1,0]=3 1009 B10R1.23 C=C(C(=O)O)c1cnco1 Amb33414803 [0,0,1,0,1,0|2,0,0]=4 1010 B10R1.23 C=C(C(=O)O)c1cncs1 Amb33269090 [0,0,1,0,1,0|2,0,0]=4 1011 B10R1.23 C=C(C(=O)O)c1cscn1 Amb33417853 [0,0,1,0,1,0|1,1,0]=4 1012 B10R1.23 CC(=O)C(=O)c1ccco1 Amb27861166 [0,0,1,0,1,0|2,0,0]=4 1013 B10R1.23 CC(=O)C(N)c1ccco1 Amb27170705 [0,0,1,0,1,0|1,0,1]=4 1014 B10R1.23 CC(C(=O)O)c1ccco1 Amb17087431 [0,0,1,0,1,0|1,0,1]=4 1015 B10R1.23 CC(C(=O)O)c1ccoc1 Amb27954518 [0,0,1,0,1,0|0,0,2]=4 1016 B10R1.23 C[C@H](C(=O)O)c1ccco1 Amb27468877 [0,0,1,0,1,0|1,0,1]=4 1017 B10R1.23 NC(=O)C(=O)c1ccco1 Amb9786661 [0,0,1,0,1,0|2,0,0]=4 1018 B10R1.23 NC(=O)C(N)c1ccco1 Amb17334171 [0,0,1,0,1,0|1,0,1]=4 1019 B10R1.23 NC(C(=O)O)c1ccco1 Amb2696257 [0,0,1,0,1,0|0,0,1]=3 1020 B10R1.23 NC(C(=O)O)c1cccs1 Amb1840251 [0,0,1,0,1,0|0,1,1]=4 1021 B10R1.23 NC(C(=O)O)c1cnco1 Amb18202656 [0,0,1,0,1,0|1,0,1]=4 1022 B10R1.23 N[C@@H](C(=O)O)c1cccs1 Amb22747193 [0,0,1,0,1,0|0,1,1]=4 1023 B10R1.23 N[C@H](C(=O)O)c1ccco1 Amb4296942 [0,0,1,0,1,0|0,0,1]=3 1024 B10R1.23 N[C@H](C(=O)O)c1cccs1 Amb2694806 [0,0,1,0,1,0|0,1,1]=4 1025 B10R1.23 N[C@H](C(=O)O)c1ccoc1 Amb27214171 [0,0,1,0,1,0|1,0,1]=4 1026 B10R1.23 O=C(Cl)C(=O)c1ccco1 Amb28126625 [0,0,1,0,1,0|2,0,0]=4 1027 B10R1.23 O=C(O)C(=O)c1ccco1 Amb9786662 [0,0,1,0,1,0|1,0,0]=3 1028 B10R1.23 O=C(O)C(=O)c1cccs1 Amb3940404 [0,0,1,0,1,0|1,1,0]=4 1029 B10R1.23 O=C(O)C(=O)c1ccoc1 Amb2611500 [0,0,1,0,1,0|1,0,0]=3 1030 B10R1.23 O=C(O)C(=O)c1ccon1 Amb33198784 [0,0,1,0,1,0|2,0,0]=4 1031 B10R1.23 O=C(O)C(=O)c1ccsc1 Amb18644784 [0,0,1,0,1,0|1,1,0]=4 1032 B10R1.23 O=C(O)C(=O)c1cnco1 Amb33415276 [0,0,1,0,1,0|2,0,0]=4 1033 B10R1.23 O=C(O)C(F)c1ccco1 Amb25825778 [0,0,1,0,1,0|1,0,1]=4 1034 B10R1.23 O=C(O)C(F)c1ccoc1 Amb26369748 [0,0,1,0,1,0|1,0,1]=4 1035 B10R1.23 O=C(O)C(O)c1ccco1 Amb597147 [0,0,1,0,1,0|1,0,1]=4 1036 B10R1.23 O=C(O)C(O)c1ccoc1 Amb10810585 [0,0,1,0,1,0|1,0,1]=4 1037 B10R1.64 CC(=O)Nc1ccoc1C Amb19148031 [0,0,1,0,1,0|1,0,1]=4 1038 B10R1.64 Cc1ccoc1CC(=O)O Amb27787871 [0,0,1,0,1,0|1,0,1]=4 1039 B10R1.64 Cc1occc1CC(=O)O Amb17593534 [0,0,1,0,1,0|0,0,2]=4 1040 B10R1.64 Nc1ccoc1CC(=O)O Amb18202764 [0,0,1,0,1,0|0,0,1]=3 1041 B10R1.64 Nc1ccsc1CC(=O)O Amb22499925 [0,0,1,0,1,0|0,1,1]=4 1042 B10R1.64 O=C(O)Cc1occc1Br Amb18176122 [0,0,1,0,1,0|1,0,1]=4 1043 B10R1.64 O=C(O)Cc1occc1Cl Amb27465098 [0,0,1,0,1,0|1,0,1]=4 1044 B10R1.64 O=C(O)\C=C1\CC=CC1=O Amb27473425 [0,0,1,0,1,0|2,0,0]=4 1045 B10R1.348 CC(=O)C1=CC=CC=CN1 Amb25921212 [0,0,1,0,1,0|1,0,0]=3 1046 B10R1.348 O=C(Cl)C1=CC=CC=CC1 Amb25374042 [0,0,1,0,1,0|2,0,0]=4 1047 B10R1.348 O=C(O)C1=CC=CC=CC1 Amb27948020 [0,0,1,0,1,0|1,0,0]=3 1048 B10R1.348 O=C(O)C1=CC=CC=CO1 Amb27453492 [0,0,1,0,1,0|1,0,0]=3 1049 B10R1.348 O=C(O)C1=CC=CCC=C1 Amb27425007 [0,0,1,0,1,0|1,0,0]=3 1050 B10R1.348 O=C(O)C1=CCC=CC=C1 Amb28118852 [0,0,1,0,1,0|1,0,1]=4 1051 B10R1.348 O=C(O)C1=COC=CN=C1 Amb28126709 [0,0,1,0,1,0|2,0,0]=4 1052 B10R1.348 O=C(O)C1C=CC=CC=C1 Amb27461373 [0,0,1,0,1,0|1,0,1]=4 1053 B12R1.43 C=C(Cc1ccccc1)C(=O)O Amb8393733 [0,0,1,0,0,1|2,0,0]=4 1054 B12R1.43 C=C(Cc1cccnc1)C(=O)O Amb26636551 [0,0,1,0,0,1|2,0,0]=4 1055 B12R1.43 C=C(Cc1ccncc1)C(=O)O Amb27389258 [0,0,1,0,0,1|2,0,0]=4 1056 B12R1.43 C\C(=C/c1ccccc1)C(=O)O Amb8513246 [0,0,1,0,0,1|2,0,0]=4 1057 B12R1.43 C\C(=C/c1ccccn1)C(=O)O Amb30584914 [0,0,1,0,0,1|2,0,0]=4 1058 B12R1.43 C\C(=C/c1ccccn1)C(=O)O Amb33995393 [0,0,1,0,0,1|2,0,0]=4 1059 B12R1.43 C\C(=C/c1cccnc1)C(=O)O Amb30584915 [0,0,1,0,0,1|2,0,0]=4 1060 B12R1.43 C\C(=C/c1cccnc1)C(=O)O Amb5743927 [0,0,1,0,0,1|2,0,0]=4 1061 B12R1.43 C\C(=C/c1ccncc1)C(=O)O Amb30584913 [0,0,1,0,0,1|2,0,0]=4 1062 B12R1.43 C\C(=C/c1ccncc1)C(=O)O Amb5743928 [0,0,1,0,0,1|2,0,0]=4 1063 B12R1.43 C\C(=C\c1ccccc1)C(=O)O Amb24603461 [0,0,1,0,0,1|2,0,0]=4 1064 B12R1.43 C\C(=C\c1cccnc1)C(=O)O Amb27837141 [0,0,1,0,0,1|2,0,0]=4 1065 B12R1.43 C\C(=C\c1ccncc1)C(=O)O Amb27882270 [0,0,1,0,0,1|2,0,0]=4 1066 B12R1.43 C\C(=C\c1cnccn1)C(=O)O Amb27622051 [0,0,1,0,0,1|2,0,0]=4 1067 B12R1.43 N=C(Nc1ccccc1)C(=O)O Amb18645991 [0,0,1,0,0,1|2,0,0]=4 1068 B12R1.43 N\C(=C/c1ccccc1)C(=O)O Amb24081025 [0,0,1,0,0,1|1,0,0]=3 1069 B12R1.43 N\C(=C/c1ccncn1)C(=O)O Amb24390213 [0,0,1,0,0,1|1,0,0]=3 1070 B12R1.43 N\C(=C\c1ccccc1)C(=O)O Amb27148014 [0,0,1,0,0,1|1,0,0]=3 1071 B12R1.43 N\C(=C\c1ccccn1)C(=O)O Amb27770994 [0,0,1,0,0,1|1,0,0]=3 1072 B12R1.43 N\C(=C\c1cnccn1)C(=O)O Amb27624449 [0,0,1,0,0,1|1,0,0]=3 1073 B12R1.43 O=C(O)C(=O)Nc1ccccc1 Amb838962 [0,0,1,0,0,1|2,0,0]=4 1074 B12R1.43 O=C(O)C(=O)Nc1ccccn1 Amb9303802 [0,0,1,0,0,1|2,0,0]=4 1075 B12R1.43 O=C(O)C(=O)Nc1cccnc1 Amb9303807 [0,0,1,0,0,1|2,0,0]=4 1076 B12R1.43 O=C(O)C(=O)Nc1ccncc1 Amb9303811 [0,0,1,0,0,1|2,0,0]=4 1077 B12R1.43 O=C(O)C(=S)Nc1ccccc1 Amb10558556 [0,0,1,0,0,1|2,0,0]=4 1078 B12R1.43 O=C(O)\C(Br)=C\c1ccccc1 Amb2794045 [0,0,1,0,0,1|2,0,0]=4 1079 B12R1.43 O=C(O)\C(Cl)=C/c1ccccc1 Amb18648695 [0,0,1,0,0,1|2,0,0]=4 1080 B12R1.43 O=C(O)\C(Cl)=C\c1ccccc1 Amb19651416 [0,0,1,0,0,1|2,0,0]=4 1081 B12R1.43 O=C(O)\C(Cl)=C\c1cccnc1 Amb26448364 [0,0,1,0,0,1|2,0,0]=4 1082 B12R1.43 O=C(O)\C(F)=C\c1ccccc1 Amb24093652 [0,0,1,0,0,1|2,0,0]=4 1083 B12R1.43 O=C(O)\C(F)=C\c1ccccn1 Amb27977069 [0,0,1,0,0,1|2,0,0]=4 1084 B12R1.43 O=C(O)\C(F)=C\c1cccnc1 Amb17614474 [0,0,1,0,0,1|2,0,0]=4 1085 B12R1.43 O=C(O)\C(F)=C\c1cccnc1 Amb31339126 [0,0,1,0,0,1|2,0,0]=4 1086 B12R1.43 O=C(O)\C(F)=C\c1cnccn1 Amb35600945 [0,0,1,0,0,1|2,0,0]=4 1087 B12R1.43 O=C(O)\C(S)=C/c1ccccc1 Amb2550972 [0,0,1,0,0,1|2,0,0]=4 1088 B12R1.43 O=C(O)\C(S)=C\c1ccccc1 Amb1250109 [0,0,1,0,0,1|2,0,0]=4 1089 B12R1.43 O=C(O)\C(S)=C\c1ccccn1 Amb1761004 [0,0,1,0,0,1|2,0,0]=4 1090 B12R1.43 O=C(O)\C(S)=C\c1ccncc1 Amb1761003 [0,0,1,0,0,1|2,0,0]=4 1091 B12R1.260 CC(=O)C\C(C)=C\c1ccco1 Amb33311977 [0,0,1,0,0,1|2,0,0]=4 1092 B12R1.260 C\C(=C/c1ccco1)CC(=O)O Amb27961441 [0,0,1,0,0,1|1,0,0]=3 1093 B12R1.260 NC(CC(=O)O)Cc1ccco1 Amb17470474 [0,0,1,0,0,1|0,0,2]=4 1094 B12R1.260 N[C@H](CC(=O)O)Cc1ccco1 Amb2699215 [0,0,1,0,0,1|0,0,2]=4 1095 B12R1.260 O=C(O)CC(=O)Nc1ccon1 Amb18999733 [0,0,1,0,0,1|2,0,0]=4 1096 B12R1.260 O=C(O)CC(=O)Nc1cnoc1 Amb18302026 [0,0,1,0,0,1|2,0,0]=4 1097 B12R1.260 O=C(O)C\[N+]([O-])=C\c1ccco1 Amb26421600 [0,0,1,0,0,1|2,0,0]=4 1098 B12R1.264 C=C(CCc1ccsc1)C(=O)O Amb33321205 [0,0,1,0,0,1|1,1,0]=4 1099 B12R1.264 CC(\N=C/c1ccco1)C(=O)O Amb28243769 [0,0,1,0,0,1|1,0,1]=4 1100 B12R1.264 NC(CCc1ccco1)C(=O)O Amb17470473 [0,0,1,0,0,1|0,0,2]=4 1101 B12R1.264 O=C(O)C(=O)NCc1ccco1 Amb9238897 [0,0,1,0,0,1|1,0,1]=4 1102 B12R1.264 O=C(O)C(=O)NCc1ccoc1 Amb27229668 [0,0,1,0,0,1|1,0,0]=3 1103 B12R1.264 O=C(O)C(=O)NCc1ccsc1 Amb28067357 [0,0,1,0,0,1|1,1,0]=4 1104 B12R1.264 O=C(O)C(=O)NCc1cocn1 Amb28256430 [0,0,1,0,0,1|2,0,0]=4 1105 B12R1.264 O=C(O)C(=O)\C=C\c1ccco1 Amb17470462 [0,0,1,0,0,1|1,0,0]=3 1106 B12R1.264 O=C(O)C(=O)\C=C\c1cccs1 Amb445455 [0,0,1,0,0,1|1,1,0]=4 1107 B12R1.264 O=C(O)C(=O)\C=C\c1ccoc1 Amb26895597 [0,0,1,0,0,1|2,0,0]=4 1108 B12R1.264 O=C([O-])C(=O)\C=C\c1ccco1 Amb24309011 [0,0,1,0,0,1|1,0,1]=4 1109 B12R1.11 C=Cc1cc(C(=O)O)cc(N)n1 Amb26630378 [0,0,1,0,0,1|2,0,0]=4 1110 B12R1.11 C=Cc1cc(Cl)cc(C(=O)O)c1 Amb28186682 [0,0,1,0,0,1|2,0,0]=4 1111 B12R1.11 C=Cc1cc(N)cc(C(=O)O)n1 Amb25894623 [0,0,1,0,0,1|1,0,1]=4 1112 B12R1.11 O=Cc1cc(C(=O)O)cc(O)n1 Amb27764084 [0,0,1,0,0,1|2,0,0]=4 1113 B12R1.48 C=Cc1ccc(C(=O)O)cc1F Amb28324455 [0,0,1,0,0,1|2,0,0]=4 1114 B12R1.48 C=Cc1ccc(C(=O)O)nc1O Amb26392551 [0,0,1,0,0,1|2,0,0]=4 1115 B12R1.48 C=Cc1cnc(C(=O)O)cc1C Amb28041412 [0,0,1,0,0,1|1,0,1]=4 1116 B12R1.48 C=Cc1cnc(C(=O)O)cc1O Amb26978258 [0,0,1,0,0,1|0,0,1]=3 1117 B12R1.48 C=Cc1ncc(C(=O)O)cc1N Amb25894845 [0,0,1,0,0,1|1,0,1]=4 1118 B12R1.48 C=Cc1ncc(C(=O)O)cc1O Amb27951023 [0,0,1,0,0,1|0,0,1]=3 1119 B12R1.48 COC1=CC=C(C(=O)O)NC1=O Amb25127882 [0,0,1,0,0,1|1,0,1]=4 1120 B12R1.48 O=Cc1ccc(C(=O)O)cc1O Amb10602735 [0,0,1,0,0,1|2,0,0]=4 1121 B12R1.48 O=Cc1ncc(C(=O)O)cc1O Amb25876182 [0,0,1,0,0,1|1,0,1]=4 1122 B12R1.56 C=Cc1cc(C(=O)O)cnc1C Amb25682330 [0,0,1,0,0,1|2,0,0]=4 1123 B12R1.56 C=Cc1cc(C(=O)O)cnc1N Amb26080722 [0,0,1,0,0,1|2,0,0]=4 1124 B12R1.56 C=Cc1cc(C(=O)O)cnc1O Amb24395190 [0,0,1,0,0,1|1,0,0]=3 1125 B12R1.56 C=Cc1cc(C(=O)O)ncc1C Amb27166675 [0,0,1,0,0,1|2,0,0]=4 1126 B12R1.56 C=Cc1nc(C(=O)O)ccc1C Amb28279979 [0,0,1,0,0,1|1,0,1]=4 1127 B12R1.56 C=Cc1nc(C(=O)O)ccc1O Amb25978505 [0,0,1,0,0,1|0,0,1]=3 1128 B12R1.56 O=Cc1cc(C(=O)O)ccc1O Amb6296672 [0,0,1,0,0,1|2,0,0]=4 1129 B12R1.125 CC(=O)\C=C\c1ccccc1N Amb25975457 [0,0,1,0,0,1|2,0,0]=4 1130 B12R1.125 Cc1ccccc1\C=C/C(=O)O Amb27871584 [0,0,1,0,0,1|2,0,0]=4 1131 B12R1.125 Cc1ccccc1\C=C\C(=O)O Amb6555165 [0,0,1,0,0,1|2,0,0]=4 1132 B12R1.125 Cc1cccnc1\C=C\C(=O)O Amb30584981 [0,0,1,0,0,1|2,0,0]=4 1133 B12R1.125 Cc1cccnc1\C=C\C(=O)O Amb32990226 [0,0,1,0,0,1|2,0,0]=4 1134 B12R1.125 Cc1ccncc1\C=C\C(=O)O Amb17844101 [0,0,1,0,0,1|2,0,0]=4 1135 B12R1.125 Cc1ccncc1\C=C\C(=O)O Amb32718732 [0,0,1,0,0,1|2,0,0]=4 1136 B12R1.125 Cc1cnccc1\C=C\C(=O)O Amb30584980 [0,0,1,0,0,1|2,0,0]=4 1137 B12R1.125 Cc1ncccc1\C=C\C(=O)O Amb28653059 [0,0,1,0,0,1|2,0,0]=4 1138 B12R1.125 Cc1ncccc1\C=C\C(=O)O Amb32662803 [0,0,1,0,0,1|2,0,0]=4 1139 B12R1.125 Cc1nccnc1\C=C\C(=O)O Amb35600937 [0,0,1,0,0,1|2,0,0]=4 1140 B12R1.125 NC(=O)\C=C\c1ccccc1N Amb28202728 [0,0,1,0,0,1|2,0,0]=4 1141 B12R1.125 NC(=O)\C=C\c1cnccc1N Amb27878871 [0,0,1,0,0,1|2,0,0]=4 1142 B12R1.125 Nc1ccccc1\C=C\C(=O)O Amb17777291 [0,0,1,0,0,1|1,0,0]=3 1143 B12R1.125 Nc1cnccc1\C=C\C(=O)O Amb4560900 [0,0,1,0,0,1|1,0,0]=3 1144 B12R1.125 Nc1ncccc1\C=C\C(=O)O Amb2697575 [0,0,1,0,0,1|1,0,0]=3 1145 B12R1.125 O=C(O)\C=C\c1ccccc1Br Amb33718813 [0,0,1,0,0,1|2,0,0]=4 1146 B12R1.125 O=C(O)\C=C\c1ccccc1Br Amb6664185 [0,0,1,0,0,1|2,0,0]=4 1147 B12R1.125 O=C(O)\C=C\c1ccccc1Cl Amb6336512 [0,0,1,0,0,1|2,0,0]=4 1148 B12R1.125 O=C(O)\C=C\c1ccccc1F Amb6545502 [0,0,1,0,0,1|2,0,0]=4 1149 B12R1.125 O=C(O)\C=C\c1ccccc1I Amb22584152 [0,0,1,0,0,1|2,0,0]=4 1150 B12R1.125 O=C(O)\C=C\c1ccccc1O Amb8513188 [0,0,1,0,0,1|2,0,0]=4 1151 B12R1.125 O=C(O)\C=C\c1cccnc1Br Amb33451204 [0,0,1,0,0,1|2,0,0]=4 1152 B12R1.125 O=C(O)\C=C\c1cccnc1F Amb33473819 [0,0,1,0,0,1|2,0,0]=4 1153 B12R1.125 O=C(O)\C=C\c1ccncc1Br Amb18659757 [0,0,1,0,0,1|2,0,0]=4 1154 B12R1.125 O=C(O)\C=C\c1ccncc1Cl Amb33261635 [0,0,1,0,0,1|2,0,0]=4 1155 B12R1.125 O=C(O)\C=C\c1ccncc1F Amb26946507 [0,0,1,0,0,1|2,0,0]=4 1156 B12R1.125 O=C(O)\C=C\c1cnccc1O Amb18646198 [0,0,1,0,0,1|2,0,0]=4 1157 B12R1.125 O=C(O)\C=C\c1ncccc1Br Amb25975550 [0,0,1,0,0,1|2,0,0]=4 1158 B12R1.125 O=C(O)\C=C\c1ncccc1Cl Amb26552463 [0,0,1,0,0,1|2,0,0]=4 1159 B12R1.125 O=C(O)\C=C\c1ncccc1F Amb32662908 [0,0,1,0,0,1|2,0,0]=4 1160 B12R1.125 O=C(O)\C=C\c1ncncc1Br Amb33470080 [0,0,1,0,0,1|2,0,0]=4 1161 B12R1.130 Cc1ccsc1\C=C\CC(=O)O Amb23441800 [0,0,1,0,0,1|1,1,0]=4 1162 B12R1.226 CC(=O)\C=C\c1cccc(N)c1 Amb23247751 [0,0,1,0,0,1|2,0,0]=4 1163 B12R1.226 Cc1cccc(\C=C\C(=O)O)c1 Amb2720533 [0,0,1,0,0,1|2,0,0]=4 1164 B12R1.226 Cc1cccc(\C=C\C(=O)O)n1 Amb10669513 [0,0,1,0,0,1|2,0,0]=4 1165 B12R1.226 Cc1ccnc(\C=C\C(=O)O)c1 Amb33079454 [0,0,1,0,0,1|2,0,0]=4 1166 B12R1.226 Nc1cccc(\C=C\C(=O)O)c1 Amb34916041 [0,0,1,0,0,1|1,0,0]=3 1167 B12R1.226 Nc1cncc(\C=C\C(=O)O)c1 Amb27840658 [0,0,1,0,0,1|2,0,0]=4 1168 B12R1.226 O=C(O)\C=C\C1=CC=CC(=O)N1 Amb25705720 [0,0,1,0,0,1|2,0,0]=4 1169 B12R1.226 O=C(O)\C=C\c1cc(Cl)ccn1 Amb33469130 [0,0,1,0,0,1|2,0,0]=4 1170 B12R1.226 O=C(O)\C=C\c1cc(F)ccn1 Amb33414575 [0,0,1,0,0,1|2,0,0]=4 1171 B12R1.226 O=C(O)\C=C\c1cccc(Br)c1 Amb1207365 [0,0,1,0,0,1|2,0,0]=4 1172 B12R1.226 O=C(O)\C=C\c1cccc(Br)n1 Amb33240785 [0,0,1,0,0,1|2,0,0]=4 1173 B12R1.226 O=C(O)\C=C\c1cccc(Cl)c1 Amb33513177 [0,0,1,0,0,1|2,0,0]=4 1174 B12R1.226 O=C(O)\C=C\c1cccc(F)c1 Amb1210956 [0,0,1,0,0,1|2,0,0]=4 1175 B12R1.226 O=C(O)\C=C\c1cccc(I)c1 Amb2236388 [0,0,1,0,0,1|2,0,0]=4 1176 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 Amb8513189 [0,0,1,0,0,1|2,0,0]=4 1177 B12R1.113 C=CCc1ccc(C(=O)O)cc1 Amb2699207 [0,0,1,0,0,1|2,0,0]=4 1178 B12R1.113 C=CCc1ccc(C(=O)O)cn1 Amb25869912 [0,0,1,0,0,1|2,0,0]=4 1179 B12R1.113 C=COc1ccc(C(=O)O)cc1 Amb27659008 [0,0,1,0,0,1|1,0,0]=3 1180 B12R1.113 O=C(O)c1ccc(\C=C\Br)cc1 Amb33134836 [0,0,1,0,0,1|2,0,0]=4 1181 B12R1.113 O=C(O)c1ccc(\C=N\O)cc1 Amb1209776 [0,0,1,0,0,1|2,0,0]=4 1182 B12R1.279 C=CCc1cc(C(=O)O)ccn1 Amb28430580 [0,0,1,0,0,1|2,0,0]=4 1183 B12R1.279 C=CCc1cccc(C(=O)O)c1 Amb2699206 [0,0,1,0,0,1|2,0,0]=4 1184 B12R1.279 C=COc1cccc(C(C)=O)c1 Amb25978740 [0,0,1,0,0,1|2,0,0]=4 1185 B12R1.279 O=C(O)c1cccc(\C=C\Br)c1 Amb33134972 [0,0,1,0,0,1|2,0,0]=4 1186 B12R1.279 O=C(O)c1cccc(\C=C\Cl)c1 Amb27454836 [0,0,1,0,0,1|2,0,0]=4 1187 B12R2.32 O=CC1=Cc2ccccc2C1 Amb18644150 [1,0,0,0,0,1|2,0,0]=4 1188 B12R2.32 O=Cc1cc2ccccc2o1 Amb1156936 [1,0,0,0,0,1|2,0,0]=4 1189 B12R2.32 O=Cc1cc2ccccc2s1 Amb2447439 [1,0,0,0,0,1|2,0,0]=4 1190 B12R2.32 O=Cc1cc2cccnc2o1 Amb18202346 [1,0,0,0,0,1|2,0,0]=4 1191 B12R2.32 O=Cc1cc2cccnc2s1 Amb2723081 [1,0,0,0,0,1|2,0,0]=4 1192 B12R2.32 O=Cc1cc2ccncc2s1 Amb13890511 [1,0,0,0,0,1|2,0,0]=4 1193 B12R2.32 O=Cc1cc2cnccc2o1 Amb18124811 [1,0,0,0,0,1|2,0,0]=4 1194 B12R2.32 O=Cc1cc2cnccc2s1 Amb18139393 [1,0,0,0,0,1|2,0,0]=4 1195 B12R2.32 O=Cc1cc2ncccc2o1 Amb18124810 [1,0,0,0,0,1|2,0,0]=4 1196 B12R2.32 O=Cc1cc2ncccc2s1 Amb18126370 [1,0,0,0,0,1|2,0,0]=4 1197 B12R2.32 O=Cc1cc2nccnc2o1 Amb18831410 [1,0,0,0,0,1|2,0,0]=4 1198 B12R2.32 O=Cc1cc2nccnc2s1 Amb2723506 [1,0,0,0,0,1|2,0,0]=4 1199 B12R2.32 O=Cc1cc2ncncc2o1 Amb18831403 [1,0,0,0,0,1|2,0,0]=4 1200 B12R2.32 O=Cc1cc2ncncc2s1 Amb18828881 [1,0,0,0,0,1|2,0,0]=4 1201 B12R2.32 OC=C1C=C2C=CC=CC2=C1 Amb27947827 [1,0,0,0,0,1|2,0,0]=4 1202 B12R2.32 O\C=C1\C=C2C=CC=CC2=N1 Amb26342374 [1,0,0,0,0,1|1,0,1]=4 1203 B12R2.44 C=Cc1ccc2occc2c1 Amb27951918 [1,0,0,0,0,1|2,0,0]=4 1204 B12R2.44 O=Cc1cc2ccoc2cn1 Amb18831431 [1,0,0,0,0,1|1,0,0]=3 1205 B12R2.44 O=Cc1cc2ccsc2cn1 Amb18199797 [1,0,0,0,0,1|1,1,0]=4 1206 B12R2.44 O=Cc1cc2cnoc2cn1 Amb18831404 [1,0,0,0,0,1|2,0,0]=4 1207 B12R2.44 O=Cc1ccc2c(c1)C=CC2 Amb24089076 [1,0,0,0,0,1|2,0,0]=4 1208 B12R2.44 O=Cc1ccc2ccoc2c1 Amb18831461 [1,0,0,0,0,1|1,0,0]=3 1209 B12R2.44 O=Cc1ccc2ccoc2n1 Amb18831432 [1,0,0,0,0,1|2,0,0]=4 1210 B12R2.44 O=Cc1ccc2ccsc2c1 Amb18126339 [1,0,0,0,0,1|1,1,0]=4 1211 B12R2.44 O=Cc1ccc2ncoc2c1 Amb18831439 [1,0,0,0,0,1|2,0,0]=4 1212 B12R2.44 O=Cc1ccc2occc2c1 Amb2723109 [1,0,0,0,0,1|1,0,0]=3 1213 B12R2.44 O=Cc1ccc2occc2n1 Amb18202342 [1,0,0,0,0,1|0,0,1]=3 1214 B12R2.44 O=Cc1ccc2ocnc2c1 Amb18831438 [1,0,0,0,0,1|2,0,0]=4 1215 B12R2.44 O=Cc1ccc2oncc2c1 Amb33547526 [1,0,0,0,0,1|2,0,0]=4 1216 B12R2.44 O=Cc1ccc2oncc2n1 Amb18202275 [1,0,0,0,0,1|1,0,1]=4 1217 B12R2.44 O=Cc1ccc2sccc2c1 Amb1995220 [1,0,0,0,0,1|1,1,0]=4 1218 B12R2.44 O=Cc1ccc2sccc2n1 Amb18829270 [1,0,0,0,0,1|0,1,1]=4 1219 B12R2.44 O=Cc1cnc2ccoc2c1 Amb13890159 [1,0,0,0,0,1|0,0,1]=3 1220 B12R2.44 O=Cc1cnc2ccsc2c1 Amb18645861 [1,0,0,0,0,1|0,1,1]=4 1221 B12R2.44 O=Cc1cnc2ncoc2c1 Amb18202277 [1,0,0,0,0,1|1,0,1]=4 1222 B12R2.44 O=Cc1cnc2occc2c1 Amb18202339 [1,0,0,0,0,1|1,0,0]=3 1223 B12R2.44 O=Cc1cnc2oncc2c1 Amb18202276 [1,0,0,0,0,1|2,0,0]=4 1224 B12R2.44 OCc1cc2ccoc2cn1 Amb19958437 [1,0,0,0,0,1|1,0,1]=4 1225 B12R2.44 OCc1ccc2ccoc2c1 Amb23399611 [1,0,0,0,0,1|1,0,1]=4 1226 B12R2.44 OCc1ccc2occc2c1 Amb2723112 [1,0,0,0,0,1|1,0,1]=4 1227 B14R2.774 O=C(O)c1ccc2cccc2cc1 Amb28127627 [0,0,0,0,0,2|2,0,0]=4 1228 B14R2.781 O=C(O)C1=CCc2ccccc2O1 Amb27666943 [0,0,0,0,0,2|2,0,0]=4 1229 B14R2.781 O=C(O)C1=CNC2=NCCOC2=C1 Amb25061197 [0,0,0,0,0,2|0,0,2]=4 1230 B14R2.781 O=C(O)C1=CNc2ccccc2O1 Amb28343193 [0,0,0,0,0,2|2,0,0]=4 1231 B14R2.781 O=C(O)C1=COc2ccccc2C1 Amb27221946 [0,0,0,0,0,2|2,0,0]=4 1232 B14R2.781 O=C(O)C1=COc2ccccc2O1 Amb18128045 [0,0,0,0,0,2|2,0,0]=4 1233 B14R2.781 O=C(O)C1=COc2ncccc2C1 Amb27475731 [0,0,0,0,0,2|2,0,0]=4 1234 B14R2.781 O=C(O)C1=CSc2ccccc2N1 Amb27179145 [0,0,0,0,0,2|1,0,0]=3 1235 B14R2.781 O=C(O)C1=Cc2ccccc2CO1 Amb27232943 [0,0,0,0,0,2|2,0,0]=4 1236 B14R2.781 O=C(O)C1=Cc2ccccc2OC1 Amb1215611 [0,0,0,0,0,2|2,0,0]=4 1237 B14R2.781 O=C(O)C1=Cc2ccccc2SN1 Amb22228836 [0,0,0,0,0,2|1,0,0]=3 1238 B14R2.781 O=C(O)C1=NNc2ccccc2S1 Amb18130074 [0,0,0,0,0,2|2,0,0]=4 1239 B14R2.781 O=C(O)c1cc2ccccc2cn1 Amb2720149 [0,0,0,0,0,2|1,0,1]=4 1240 B14R2.781 O=C(O)c1cc2ccccc2cn1 Amb3940183 [0,0,0,0,0,2|1,0,1]=4 1241 B14R2.781 O=C(O)c1cc2ccccc2nn1 Amb530406 [0,0,0,0,0,2|1,0,1]=4 1242 B14R2.781 O=C(O)c1cc2cccnc2cn1 Amb18197838 [0,0,0,0,0,2|1,0,1]=4 1243 B14R2.781 O=C(O)c1cc2ccncc2cn1 Amb18197836 [0,0,0,0,0,2|1,0,1]=4 1244 B14R2.781 O=C(O)c1cc2ccnnc2cn1 Amb18197500 [0,0,0,0,0,2|2,0,0]=4 1245 B14R2.781 O=C(O)c1cc2cnccc2cn1 Amb18197811 [0,0,0,0,0,2|1,0,1]=4 1246 B14R2.781 O=C(O)c1cc2nnccc2cn1 Amb18197501 [0,0,0,0,0,2|1,0,1]=4 1247 B14R2.781 O=C(O)c1ccc2c(c1)C=CCC2 Amb26847796 [0,0,0,0,0,2|2,0,0]=4 1248 B14R2.781 O=C(O)c1ccc2c(c1)CCC=C2 Amb26304214 [0,0,0,0,0,2|2,0,0]=4 1249 B14R2.781 O=C(O)c1ccc2ccccc2c1 Amb17678851 [0,0,0,0,0,2|2,0,0]=4 1250 B14R2.781 O=C(O)c1ccc2ccccc2n1 Amb1233401 [0,0,0,0,0,2|1,0,1]=4 1251 B14R2.781 O=C(O)c1ccc2ccccc2n1 Amb21858747 [0,0,0,0,0,2|1,0,1]=4 1252 B14R2.781 O=C(O)c1ccc2ccccc2n1 Amb33513278 [0,0,0,0,0,2|1,0,1]=4 1253 B14R2.781 O=C(O)c1ccc2cccnc2c1 Amb2548374 [0,0,0,0,0,2|2,0,0]=4 1254 B14R2.781 O=C(O)c1ccc2cccnc2n1 Amb2567493 [0,0,0,0,0,2|1,0,1]=4 1255 B14R2.781 O=C(O)c1ccc2cccnc2n1 Amb2691468 [0,0,0,0,0,2|1,0,1]=4 1256 B14R2.781 O=C(O)c1ccc2cccnc2n1 Amb34202999 [0,0,0,0,0,2|1,0,1]=4 1257 B14R2.781 O=C(O)c1ccc2ccncc2c1 Amb8009842 [0,0,0,0,0,2|2,0,0]=4 1258 B14R2.781 O=C(O)c1ccc2ccncc2n1 Amb21962775 [0,0,0,0,0,2|1,0,1]=4 1259 B14R2.781 O=C(O)c1ccc2cnccc2c1 Amb33542741 [0,0,0,0,0,2|2,0,0]=4 1260 B14R2.781 O=C(O)c1ccc2cnccc2n1 Amb2691469 [0,0,0,0,0,2|1,0,1]=4 1261 B14R2.781 O=C(O)c1ccc2cncnc2c1 Amb23439150 [0,0,0,0,0,2|2,0,0]=4 1262 B14R2.781 O=C(O)c1ccc2ncccc2c1 Amb10553803 [0,0,0,0,0,2|2,0,0]=4 1263 B14R2.781 O=C(O)c1ccc2ncccc2c1 Amb6335229 [0,0,0,0,0,2|2,0,0]=4 1264 B14R2.781 O=C(O)c1ccc2ncccc2n1 Amb5627449 [0,0,0,0,0,2|1,0,1]=4 1265 B14R2.781 O=C(O)c1ccc2nccnc2c1 Amb1209684 [0,0,0,0,0,2|2,0,0]=4 1266 B14R2.781 O=C(O)c1ccc2nccnc2n1 Amb2795876 [0,0,0,0,0,2|1,0,1]=4 1267 B14R2.781 O=C(O)c1ccc2ncncc2c1 Amb10604067 [0,0,0,0,0,2|2,0,0]=4 1268 B14R2.781 O=C(O)c1ccc2nnccc2c1 Amb25368925 [0,0,0,0,0,2|2,0,0]=4 1269 B14R2.781 O=C(O)c1cnc2ccccc2c1 Amb1995107 [0,0,0,0,0,2|1,0,1]=4 1270 B14R2.781 O=C(O)c1cnc2ccccc2n1 Amb6355834 [0,0,0,0,0,2|1,0,1]=4 1271 B14R2.781 O=C(O)c1cnc2cccnc2c1 Amb9174242 [0,0,0,0,0,2|1,0,1]=4 1272 B14R2.781 O=C(O)c1cnc2ccncc2c1 Amb9701811 [0,0,0,0,0,2|1,0,1]=4 1273 B14R2.781 O=C(O)c1cnc2cnccc2c1 Amb20248674 [0,0,0,0,0,2|1,0,1]=4 1274 B14R2.781 O=C(O)c1cnc2cnccc2n1 Amb27813441 [0,0,0,0,0,2|1,0,1]=4 1275 B14R2.781 O=C(O)c1cnc2ncccc2c1 Amb2795317 [0,0,0,0,0,2|1,0,1]=4 1276 B14R2.781 O=C(O)c1cnc2ncccc2n1 Amb10071424 [0,0,0,0,0,2|1,0,1]=4 1277 B14R2.781 O=C(O)c1cnc2nccnc2c1 Amb2795885 [0,0,0,0,0,2|1,0,1]=4 1278 B14R2.781 O=C(O)c1ncc2ccccc2n1 Amb10241300 [0,0,0,0,0,2|1,0,1]=4 1279 B14R2.781 O=C(O)c1ncc2ccccc2n1 Amb9854893 [0,0,0,0,0,2|1,0,1]=4 1280 B14R2.781 O=C(O)c1ncc2ccncc2n1 Amb27969520 [0,0,0,0,0,2|1,0,1]=4 1281 B14R2.781 O=C(O)c1ncc2cnccc2n1 Amb28058636 [0,0,0,0,0,2|1,0,1]=4 1282 B14R2.1008 CC(=O)Cc1ccc2ccoc2c1 Amb22054403 [0,0,0,0,0,2|2,0,0]=4 1283 B14R2.1008 CC(=O)Cc1ccc2occc2c1 Amb25767854 [0,0,0,0,0,2|2,0,0]=4 1284 B14R2.1008 CC(=O)Nc1ccc2occc2n1 Amb28204077 [0,0,0,0,0,2|1,0,1]=4 1285 B14R2.1008 CC(=O)Oc1ccc2ccoc2c1 Amb27796472 [0,0,0,0,0,2|2,0,0]=4 1286 B14R2.1008 CC(=O)Oc1ccc2occc2c1 Amb27441514 [0,0,0,0,0,2|2,0,0]=4 1287 B14R2.1008 CC(=O)Oc1cnc2ccoc2c1 Amb27968072 [0,0,0,0,0,2|1,0,1]=4 1288 B14R2.1008 CC(=O)Oc1cnc2occc2c1 Amb27841877 [0,0,0,0,0,2|2,0,0]=4 1289 B14R2.1008 O=C(O)Cc1ccc2ccoc2c1 Amb18197053 [0,0,0,0,0,2|1,0,0]=3 1290 B14R2.1008 O=C(O)Cc1ccc2ccoc2n1 Amb18196432 [0,0,0,0,0,2|2,0,0]=4 1291 B14R2.1008 O=C(O)Cc1ccc2ncoc2c1 Amb17131033 [0,0,0,0,0,2|2,0,0]=4 1292 B14R2.1008 O=C(O)Cc1ccc2occc2c1 Amb18197066 [0,0,0,0,0,2|1,0,0]=3 1293 B14R2.1008 O=C(O)Cc1ccc2occc2n1 Amb18196433 [0,0,0,0,0,2|0,0,1]=3 1294 B14R2.1008 O=C(O)Cc1ccc2ocnc2c1 Amb2420231 [0,0,0,0,0,2|2,0,0]=4 1295 B14R2.1008 O=C(O)Cc1ccc2sccc2c1 Amb27179279 [0,0,0,0,0,2|1,1,0]=4 1296 B14R2.1008 O=C(O)Cc1ccc2sccc2n1 Amb26511623 [0,0,0,0,0,2|0,1,1]=4 1297 B14R2.1008 O=C(O)Cc1cnc2ccsc2c1 Amb24330809 [0,0,0,0,0,2|0,1,1]=4 1298 B14R2.1008 O=C(O)Cc1cnc2ncoc2c1 Amb18195674 [0,0,0,0,0,2|1,0,1]=4 1299 B14R2.1008 O=C(O)Cc1cnc2sccc2c1 Amb27478074 [0,0,0,0,0,2|1,1,0]=4 1300 B14R2.1008 O=C(O)Cc1ncc2ccoc2n1 Amb18195729 [0,0,0,0,0,2|1,0,1]=4 1301 B14R2.1008 O=C(O)Cc1ncc2occc2n1 Amb18195728 [0,0,0,0,0,2|0,0,1]=3 1302 B14R2.1008 O=C(O)Cc1ncc2sccc2n1 Amb18190003 [0,0,0,0,0,2|0,1,1]=4 1303 B14R2.9422 O=C(O)C1=Cc2ccoc2C=NO1 Amb22898843 [0,0,0,0,0,2|1,0,0]=3 1304 B14R2.768 O=C(O)Cc1cc2ccccc2o1 Amb2371823 [0,0,0,0,0,2|2,0,0]=4 1305 B14R2.768 O=C(O)Cc1cc2ccccc2s1 Amb18651226 [0,0,0,0,0,2|2,0,0]=4 1306 B14R2.768 O=C(O)Cc1cc2cccnc2s1 Amb18190325 [0,0,0,0,0,2|2,0,0]=4 1307 B14R2.768 O=C(O)Cc1cc2ccncc2o1 Amb18196457 [0,0,0,0,0,2|2,0,0]=4 1308 B14R2.768 O=C(O)Cc1cc2cnccc2s1 Amb18190323 [0,0,0,0,0,2|2,0,0]=4 1309 B14R2.768 O=C(O)Cc1cc2ncncc2o1 Amb18195719 [0,0,0,0,0,2|2,0,0]=4 1310 B14R2.768 O=C(O)Cc1cc2ncncc2s1 Amb18815167 [0,0,0,0,0,2|2,0,0]=4 1311 B14R2.31338 O=C(O)c1cc2cccccc2c1 Amb27805834 [0,0,0,0,0,2|2,0,0]=4 1312 B14R2.770 O=C(O)C#Cc1cc2sccc2s1 Amb28364339 [0,0,0,0,0,2|1,1,0]=4 1313 B14R2.770 O=C(O)CCc1cc2sccc2s1 Amb33470135 [0,0,0,0,0,2|1,1,0]=4 1314 B14R2.770 O=C(O)\C=C\c1cc2sccc2s1 Amb33470021 [0,0,0,0,0,2|1,1,0]=4