0 B11R2.15 NCc1cc2occc2s1 Amb19515683 [0,0,0,0,0,0|2,0,2]=4 1 B11R2.15 O=Cc1cc2c(s1)OCO2 Amb18830797 [0,0,0,0,0,0|3,0,1]=4 2 B11R2.15 O=Cc1cc2ccnc2n1 Amb27488076 [0,0,0,0,0,0|2,0,1]=3 3 B11R2.15 O=Cc1cc2ccsc2o1 Amb27839409 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.15 O=Cc1cc2ccsc2s1 Amb4140122 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.15 O=Cc1cc2cnnc2n1 Amb27633330 [0,0,0,0,0,0|3,0,1]=4 6 B11R2.15 O=Cc1cc2ncnc2n1 Amb27782476 [0,0,0,0,0,0|2,0,1]=3 7 B11R2.15 O=Cc1cc2ncoc2s1 Amb18831154 [0,0,0,0,0,0|3,0,0]=3 8 B11R2.15 O=Cc1cc2oncc2o1 Amb18832420 [0,0,0,0,0,0|4,0,0]=4 9 B11R2.15 O=Cc1cc2oncc2s1 Amb18831159 [0,0,0,0,0,0|4,0,0]=4 10 B11R2.15 O=Cc1cc2sccc2s1 Amb2611536 [0,0,0,0,0,0|3,1,0]=4 11 B11R2.15 O=Cc1cc2scnc2s1 Amb28049890 [0,0,0,0,0,0|2,1,0]=3 12 B11R2.15 O=Cc1cn2ccnc2s1 Amb18831202 [0,0,0,0,0,0|4,0,0]=4 13 B12R2.30 Cc1c(C=O)sc2ccoc12 Amb18142688 [0,1,0,0,0,0|3,0,0]=4 14 B12R2.30 Cn1c(C=O)cc2ccsc21 Amb18828261 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.30 Cn1c(C=O)cc2sccc21 Amb2723685 [0,1,0,0,0,0|2,1,0]=4 16 B12R2.30 Cn1c(C=O)cn2ccnc12 Amb18831352 [0,1,0,0,0,0|3,0,0]=4 17 B12R2.30 Cn1c(CO)cc2occc21 Amb24063682 [0,1,0,0,0,0|2,0,1]=4 18 B12R2.30 N=CC1=CC2=CC=CC2=C1O Amb27954582 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.252 O=C(O)c1cc2ccnc2n1 Amb26906005 [0,1,0,0,0,0|2,0,1]=4 20 B12R2.252 O=C(O)c1cc2ncnc2n1 Amb18201805 [0,1,0,0,0,0|2,0,1]=4 21 B12R2.252 O=C(O)c1cc2occc2s1 Amb19374510 [0,1,0,0,0,0|3,0,0]=4 22 B12R2.2040 Cn1cnc2sc(C=O)cc21 Amb18827729 [0,1,0,0,0,0|3,0,0]=4 23 B12R2.2040 O=Cc1cc2c(Br)cnc2n1 Amb18172158 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.27 C=CC(=O)Nc1cscn1 Amb24709378 [0,0,1,0,0,0|2,1,0]=4 25 B10R1.27 C=C\C(C)=C/c1ccco1 Amb27440408 [0,0,1,0,0,0|3,0,0]=4 26 B10R1.27 C=C\C(C)=C\c1ccco1 Amb33359794 [0,0,1,0,0,0|3,0,0]=4 27 B10R1.27 C\C(C=O)=C/c1ccco1 Amb3599297 [0,0,1,0,0,0|3,0,0]=4 28 B10R1.27 C\C(C=O)=C/c1cncs1 Amb27405461 [0,0,1,0,0,0|2,1,0]=4 29 B10R1.27 C\C(C=O)=C\c1ccco1 Amb2792767 [0,0,1,0,0,0|3,0,0]=4 30 B10R1.27 O=C\C(Cl)=C\c1ccco1 Amb27166107 [0,0,1,0,0,0|3,0,0]=4 31 B10R1.29 Cc1ccoc1\C=C\C=O Amb32954708 [0,0,1,0,0,0|3,0,0]=4 32 B10R1.29 Cc1ncsc1\C=C\C=O Amb33358465 [0,0,1,0,0,0|2,1,0]=4 33 B10R1.29 O=C\C=C\c1occc1Br Amb27839525 [0,0,1,0,0,0|3,0,0]=4 34 B12R2.32 C=Cc1cc2cccnc2s1 Amb28436507 [0,0,0,0,0,1|3,0,0]=4 35 B12R2.32 O=Cc1cc2cccnc2o1 Amb18202346 [0,0,0,0,0,1|3,0,0]=4 36 B12R2.32 O=Cc1cc2cccnc2s1 Amb2723081 [0,0,0,0,0,1|3,0,0]=4 37 B12R2.32 O=Cc1cc2ccncc2s1 Amb13890511 [0,0,0,0,0,1|3,0,0]=4 38 B12R2.32 O=Cc1cc2cncnc2s1 Amb18828876 [0,0,0,0,0,1|3,0,0]=4 39 B12R2.32 O=Cc1cc2nccnc2o1 Amb18831410 [0,0,0,0,0,1|3,0,0]=4 40 B12R2.32 O=Cc1cc2nccnc2s1 Amb2723506 [0,0,0,0,0,1|3,0,0]=4 41 B12R2.32 O=Cc1cc2ncncc2o1 Amb18831403 [0,0,0,0,0,1|3,0,0]=4 42 B12R2.32 O=Cc1cc2ncncc2s1 Amb18828881 [0,0,0,0,0,1|3,0,0]=4 43 B12R2.44 C=Cc1ccc2occc2c1 Amb27951918 [0,0,0,0,0,1|3,0,0]=4 44 B12R2.44 CCc1ccc2ncoc2c1 Amb27224299 [0,0,0,0,0,1|2,0,1]=4 45 B12R2.44 CCc1ccc2ocnc2c1 Amb17304940 [0,0,0,0,0,1|2,0,1]=4 46 B12R2.44 CNc1ccc2ncoc2c1 Amb27242510 [0,0,0,0,0,1|3,0,0]=4 47 B12R2.44 COc1ccc2ncoc2c1 Amb28069420 [0,0,0,0,0,1|3,0,0]=4 48 B12R2.44 COc1ccc2ocnc2c1 Amb17569997 [0,0,0,0,0,1|3,0,0]=4 49 B12R2.44 ClCc1ccc2ncoc2c1 Amb23401989 [0,0,0,0,0,1|2,0,1]=4 50 B12R2.44 N#Cc1ccc2ncoc2c1 Amb18243494 [0,0,0,0,0,1|1,0,2]=4 51 B12R2.44 N#Cc1ccc2ocnc2c1 Amb18243495 [0,0,0,0,0,1|1,0,2]=4 52 B12R2.44 NCc1ccc2ncoc2c1 Amb22491217 [0,0,0,0,0,1|1,0,2]=4 53 B12R2.44 NCc1ccc2ocnc2c1 Amb23399634 [0,0,0,0,0,1|1,0,2]=4 54 B12R2.44 O=CC1=CNC2=NCCC2=C1 Amb24644913 [0,0,0,0,0,1|2,0,1]=4 55 B12R2.44 O=Cc1cc2ccoc2cn1 Amb18831431 [0,0,0,0,0,1|3,0,0]=4 56 B12R2.44 O=Cc1ccc2ccoc2c1 Amb18831461 [0,0,0,0,0,1|3,0,0]=4 57 B12R2.44 O=Cc1ccc2ncoc2c1 Amb18831439 [0,0,0,0,0,1|2,0,0]=3 58 B12R2.44 O=Cc1ccc2ncsc2c1 Amb18829272 [0,0,0,0,0,1|2,1,0]=4 59 B12R2.44 O=Cc1ccc2occc2c1 Amb2723109 [0,0,0,0,0,1|3,0,0]=4 60 B12R2.44 O=Cc1ccc2occc2n1 Amb18202342 [0,0,0,0,0,1|2,0,1]=4 61 B12R2.44 O=Cc1ccc2ocnc2c1 Amb18831438 [0,0,0,0,0,1|2,0,0]=3 62 B12R2.44 O=Cc1ccc2onnc2c1 Amb18202281 [0,0,0,0,0,1|3,0,0]=4 63 B12R2.44 O=Cc1ccc2scnc2c1 Amb18199800 [0,0,0,0,0,1|2,1,0]=4 64 B12R2.44 O=Cc1ccc2scnc2n1 Amb27634066 [0,0,0,0,0,1|1,1,1]=4 65 B12R2.44 O=Cc1cnc2ccoc2c1 Amb13890159 [0,0,0,0,0,1|2,0,1]=4 66 B12R2.44 O=Cc1cnc2ncoc2c1 Amb18202277 [0,0,0,0,0,1|1,0,1]=3 67 B12R2.44 O=Cc1cnc2ncsc2c1 Amb18828875 [0,0,0,0,0,1|1,1,1]=4 68 B12R2.44 O=Cc1cnc2occc2c1 Amb18202339 [0,0,0,0,0,1|3,0,0]=4 69 B12R2.44 O=Cc1cnc2scnc2c1 Amb18199774 [0,0,0,0,0,1|2,1,0]=4 70 B12R2.44 OCc1ccc2ncoc2c1 Amb18114711 [0,0,0,0,0,1|2,0,1]=4 71 B12R2.44 SCc1ccc2ncoc2c1 Amb26373285 [0,0,0,0,0,1|2,0,1]=4 72 B9R1.12 NC\C=C\c1cnco1 Amb33414799 [1,0,1,0,0,0|0,0,2]=4 73 B9R1.12 O=C\C=C/c1ccco1 Amb27590405 [1,0,1,0,0,0|2,0,0]=4 74 B9R1.12 O=C\C=C\c1ccco1 Amb33870988 [1,0,1,0,0,0|2,0,0]=4 75 B9R1.12 O=C\C=C\c1cnco1 Amb33414801 [1,0,1,0,0,0|1,0,0]=3 76 B9R1.12 O=C\C=C\c1cncs1 Amb33079492 [1,0,1,0,0,0|1,1,0]=4 77 B9R1.12 OC\C=C\c1cnco1 Amb33414800 [1,0,1,0,0,0|1,0,1]=4 78 B9R1.13 N=C(N)Cc1ccco1 Amb27834673 [1,0,1,0,0,0|1,0,1]=4 79 B9R1.13 N=C(N)Cc1cnco1 Amb33319553 [1,0,1,0,0,0|0,0,1]=3 80 B9R1.13 N=C(N)Cc1cncs1 Amb27641341 [1,0,1,0,0,0|0,1,1]=4 81 B9R1.13 NC(=S)Cc1cnco1 Amb33319552 [1,0,1,0,0,0|1,0,1]=4 82 B9R1.33 Cc1ncoc1\C=C\Br Amb33135378 [1,0,1,0,0,0|2,0,0]=4 83 B9R1.21 O\N=C1\C=C\C(=N/O)N1 Amb27195915 [1,0,1,0,0,0|2,0,0]=4 84 B9R2.3 c1cc2ccnc2n1 Amb27881525 [2,0,0,0,0,0|1,0,1]=4 85 B9R2.3 c1cc2scnc2o1 Amb23412528 [2,0,0,0,0,0|1,1,0]=4 86 B9R2.3 c1nc2sccc2s1 Amb23412515 [2,0,0,0,0,0|1,1,0]=4 87 B11R1.35 C\C(=C/c1ccco1)C(=N)N Amb32953924 [0,1,1,0,0,0|2,0,0]=4 88 B11R1.35 C\C(=C\c1ccco1)C(=N)N Amb27789869 [0,1,1,0,0,0|2,0,0]=4 89 B11R1.35 N\C(=C/c1cncs1)C(=O)O Amb35608674 [0,1,1,0,0,0|1,1,0]=4 90 B11R1.35 N\C(=C\c1ccco1)C(=O)O Amb27493744 [0,1,1,0,0,0|2,0,0]=4 91 B11R1.199 Cc1ncoc1C(=O)\C=C\Cl Amb35628823 [0,1,1,0,0,0|2,0,0]=4 92 B13R2.26 O\N=C\c1cc2cccnc2o1 Amb28323534 [0,1,0,0,0,1|2,0,0]=4 93 B13R2.26 O\N=C\c1cc2ccncc2o1 Amb27185868 [0,1,0,0,0,1|2,0,0]=4 94 B13R2.45 Cn1c(C=O)cc2cccnc21 Amb18830239 [0,1,0,0,0,1|2,0,0]=4 95 B13R2.45 Cn1c(C=O)cc2ccncc21 Amb18830233 [0,1,0,0,0,1|2,0,0]=4 96 B13R2.45 Cn1c(C=O)cc2cncnc21 Amb18830015 [0,1,0,0,0,1|2,0,0]=4 97 B13R2.84 O=Cc1ccc2ocnc2c1Cl Amb18823876 [0,1,0,0,0,1|2,0,0]=4 98 B13R2.430 CC(=O)c1ccc2ncoc2c1 Amb18830116 [0,1,0,0,0,1|2,0,0]=4 99 B13R2.430 CC(=O)c1ccc2ocnc2c1 Amb17319977 [0,1,0,0,0,1|2,0,0]=4 100 B13R2.430 CC(=O)c1ccc2ocnc2n1 Amb27961190 [0,1,0,0,0,1|1,0,1]=4 101 B13R2.430 CC(=O)c1cnc2ocnc2c1 Amb27186607 [0,1,0,0,0,1|2,0,0]=4 102 B13R2.430 N=C(N)c1ccc2ncoc2c1 Amb27241147 [0,1,0,0,0,1|1,0,0]=3 103 B13R2.430 N=C(N)c1ccc2occc2c1 Amb20241033 [0,1,0,0,0,1|2,0,0]=4 104 B13R2.430 N=C(N)c1ccc2occc2c1 Amb24089261 [0,1,0,0,0,1|2,0,0]=4 105 B13R2.430 NC(=O)c1ccc2ncoc2c1 Amb27390946 [0,1,0,0,0,1|1,0,1]=4 106 B13R2.430 NC(=S)c1ccc2ncoc2c1 Amb26883561 [0,1,0,0,0,1|1,0,1]=4 107 B13R2.430 NC(=S)c1ccc2ocnc2c1 Amb19148387 [0,1,0,0,0,1|1,0,1]=4 108 B13R2.430 O=C(Cl)c1ccc2ncoc2c1 Amb27638540 [0,1,0,0,0,1|2,0,0]=4 109 B13R2.430 O=C(O)c1cc2ocnc2cn1 Amb24066867 [0,1,0,0,0,1|1,0,1]=4 110 B13R2.430 O=C(O)c1ccc2ncoc2c1 Amb8629960 [0,1,0,0,0,1|2,0,0]=4 111 B13R2.430 O=C(O)c1ccc2ocnc2c1 Amb5730401 [0,1,0,0,0,1|2,0,0]=4 112 B13R2.430 O=C(O)c1ccc2ocnc2n1 Amb25677507 [0,1,0,0,0,1|1,0,1]=4 113 B13R2.430 O=C(O)c1cnc2ncoc2c1 Amb27186299 [0,1,0,0,0,1|1,0,1]=4 114 B13R2.449 O=CCc1ccc2ocnc2c1 Amb27637002 [0,1,0,0,0,1|2,0,0]=4 115 B13R2.449 O\N=C\c1ccc2ncoc2c1 Amb27965845 [0,1,0,0,0,1|1,0,0]=3 116 B13R2.449 O\N=C\c1ccc2occc2c1 Amb27965818 [0,1,0,0,0,1|2,0,0]=4 117 B13R2.449 O\N=C\c1ccc2ocnc2c1 Amb27847224 [0,1,0,0,0,1|1,0,0]=3 118 B13R2.599 N=Cc1cc2ccoc2cc1O Amb26052600 [0,1,0,0,0,1|2,0,0]=4 119 B13R2.599 Nc1cc2ocnc2cc1C=O Amb27428990 [0,1,0,0,0,1|2,0,0]=4 120 B13R2.2121 Cc1nc2cc(C=O)ccc2o1 Amb17470412 [0,1,0,0,0,1|2,0,0]=4 121 B13R2.2121 Cc1nc2ccc(C=O)cc2o1 Amb18830140 [0,1,0,0,0,1|2,0,0]=4 122 B13R2.2121 Cc1nc2ncc(C=O)cc2o1 Amb18829833 [0,1,0,0,0,1|1,0,1]=4 123 B13R2.2121 O=Cc1ccc2nc(F)oc2c1 Amb27192615 [0,1,0,0,0,1|2,0,0]=4 124 B13R2.2121 O=Cc1ccc2nc(I)oc2c1 Amb25940871 [0,1,0,0,0,1|2,0,0]=4 125 B13R2.2121 O=Cc1ccc2nc(S)oc2c1 Amb25249962 [0,1,0,0,0,1|2,0,0]=4 126 B13R2.2121 O=Cc1ccc2oc(Br)nc2c1 Amb27442035 [0,1,0,0,0,1|2,0,0]=4 127 B13R2.2121 O=Cc1ccc2oc(Cl)nc2c1 Amb26608362 [0,1,0,0,0,1|2,0,0]=4 128 B13R2.2121 O=Cc1ccc2oc(I)nc2c1 Amb25922173 [0,1,0,0,0,1|2,0,0]=4 129 B13R2.2121 O=Cc1ccc2oc(S)nc2c1 Amb26896679 [0,1,0,0,0,1|2,0,0]=4 130 B13R2.2334 CC(=O)c1cc2occc2n1C Amb18829465 [0,2,0,0,0,0|2,0,0]=4 131 B13R2.2334 Cn1c(C(=O)O)cc2occc21 Amb17731499 [0,2,0,0,0,0|2,0,0]=4 132 B13R2.2334 Cn1c(C(=O)O)cc2scnc21 Amb25066967 [0,2,0,0,0,0|1,1,0]=4 133 B11R2.36 Brc1ccc2ncoc2c1 Amb10602229 [0,0,1,1,0,0|2,0,0]=4 134 B11R2.36 Brc1cnc2ncoc2c1 Amb18100434 [0,0,1,1,0,0|1,0,0]=3 135 B11R2.36 Brc1cnc2ocnc2c1 Amb33543596 [0,0,1,1,0,0|2,0,0]=4 136 B11R2.36 Cc1ccc2ncoc2c1 Amb6875051 [0,0,1,1,0,0|2,0,0]=4 137 B11R2.36 Cc1cnc2ccoc2c1 Amb27478517 [0,0,1,1,0,0|2,0,0]=4 138 B11R2.36 Cc1cnc2ocnc2c1 Amb18100532 [0,0,1,1,0,0|1,0,1]=4 139 B11R2.36 Clc1ccc2ncoc2c1 Amb9783095 [0,0,1,1,0,0|2,0,0]=4 140 B11R2.36 Clc1cnc2c(c1)CC=N2 Amb27653480 [0,0,1,1,0,0|2,0,0]=4 141 B11R2.36 Clc1cnc2ccoc2c1 Amb13890158 [0,0,1,1,0,0|2,0,0]=4 142 B11R2.36 Clc1cnc2ncoc2c1 Amb26456899 [0,0,1,1,0,0|1,0,0]=3 143 B11R2.36 Clc1cnc2ncsc2c1 Amb27618321 [0,0,1,1,0,0|1,1,0]=4 144 B11R2.36 Clc1cnc2ocnc2c1 Amb18100514 [0,0,1,1,0,0|2,0,0]=4 145 B11R2.36 Fc1ccc2ncoc2c1 Amb24463817 [0,0,1,1,0,0|2,0,0]=4 146 B11R2.36 Fc1cnc2ocnc2c1 Amb18100462 [0,0,1,1,0,0|2,0,0]=4 147 B11R2.36 Ic1cnc2ccoc2c1 Amb13890154 [0,0,1,1,0,0|2,0,0]=4 148 B11R2.36 Nc1ccc2ccoc2c1 Amb18137748 [0,0,1,1,0,0|2,0,0]=4 149 B11R2.36 Nc1ccc2ccoc2c1 Amb32661636 [0,0,1,1,0,0|2,0,0]=4 150 B11R2.36 Nc1ccc2ncoc2c1 Amb2724961 [0,0,1,1,0,0|1,0,0]=3 151 B11R2.36 Nc1ccc2ncoc2n1 Amb27878041 [0,0,1,1,0,0|2,0,0]=4 152 B11R2.36 Nc1ccc2ncsc2c1 Amb32651863 [0,0,1,1,0,0|1,1,0]=4 153 B11R2.36 Nc1ccc2ncsc2c1 Amb845403 [0,0,1,1,0,0|1,1,0]=4 154 B11R2.36 Nc1ccc2ncsc2c1 Amb9677321 [0,0,1,1,0,0|1,1,0]=4 155 B11R2.36 Nc1ccc2nnoc2c1 Amb18203121 [0,0,1,1,0,0|2,0,0]=4 156 B11R2.36 Nc1cnc2c(c1)OCO2 Amb18832265 [0,0,1,1,0,0|1,0,1]=4 157 B11R2.36 Nc1cnc2ccsc2c1 Amb19374072 [0,0,1,1,0,0|1,1,0]=4 158 B11R2.36 Nc1cnc2ccsc2c1 Amb31217501 [0,0,1,1,0,0|1,1,0]=4 159 B11R2.36 Nc1cnc2cncn2c1 Amb18203154 [0,0,1,1,0,0|2,0,0]=4 160 B11R2.36 Nc1cnc2nccn2c1 Amb18203149 [0,0,1,1,0,0|2,0,0]=4 161 B11R2.36 Nc1cnc2nccn2c1 Amb22235584 [0,0,1,1,0,0|2,0,0]=4 162 B11R2.36 Nc1cnc2ncoc2c1 Amb18100408 [0,0,1,1,0,0|0,0,0]=2 163 B11R2.36 Nc1cnc2ncsc2c1 Amb18201664 [0,0,1,1,0,0|0,1,0]=3 164 B11R2.36 Nc1cnc2nonc2c1 Amb27239234 [0,0,1,1,0,0|2,0,0]=4 165 B11R2.36 Nc1cnc2occc2c1 Amb22496271 [0,0,1,1,0,0|2,0,0]=4 166 B11R2.36 Nc1cnc2ocnc2c1 Amb18063313 [0,0,1,1,0,0|2,0,0]=4 167 B11R2.36 Nc1cnc2sccc2c1 Amb19957875 [0,0,1,1,0,0|2,0,0]=4 168 B11R2.36 Nc1cnc2scnc2c1 Amb18201665 [0,0,1,1,0,0|2,0,0]=4 169 B11R2.36 Oc1ccc2ncoc2c1 Amb33546968 [0,0,1,1,0,0|2,0,0]=4 170 B11R2.36 Sc1ccc2ncoc2c1 Amb28072623 [0,0,1,1,0,0|2,0,0]=4 171 B11R2.1 NC1=NCc2ncccc21 Amb28397871 [0,0,1,1,0,0|1,0,1]=4 172 B11R2.1 Nc1ccn2ncccc12 Amb28325554 [0,0,1,1,0,0|2,0,0]=4 173 B11R2.1 Nc1ncn2ccccc12 Amb23560066 [0,0,1,1,0,0|2,0,0]=4 174 B11R2.1 Nc1noc2ncccc12 Amb3593292 [0,0,1,1,0,0|2,0,0]=4 175 B11R2.1 Nc1nsc2ncccc12 Amb18201396 [0,0,1,1,0,0|2,0,0]=4 176 B11R2.18 C1=COc2ncsc2C=N1 Amb27635634 [0,0,1,1,0,0|1,1,0]=4 177 B11R2.18 C1=Cn2ccnc2NN=C1 Amb27444073 [0,0,1,1,0,0|2,0,0]=4 178 B13R3.1895 C1=CN2C1=CC=C3OCN=C32 Amb25250266 [0,0,0,1,0,1|1,0,1]=4 179 B13R3.5732 C1=NC2=C3N=COC3=CN1C2 Amb27617260 [0,0,0,1,0,1|2,0,0]=4 180 B9R1.11 C=CC(=O)c1cnco1 Amb33415607 [0,0,1,0,1,0|2,0,0]=4