0 B16R2.261 Cc1c(Br)cccc1C(=O)c2cncs2 Amb35655278 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.261 Cc1c(Cl)cccc1C(=O)c2cncs2 Amb35655269 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.261 Cc1c(Cl)cccc1C(Br)c2cccs2 Amb27669673 [0,0,0,0,0,0|4,0,0]=4 3 B16R2.261 Cc1c(F)cccc1C(=O)c2cncs2 Amb35613092 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.261 Cc1c(F)cccc1C(Br)c2cccs2 Amb27850661 [0,0,0,0,0,0|4,0,0]=4 5 B16R2.261 Cc1c(N)cccc1C(=O)c2cncs2 Amb35590352 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.261 Cc1cccc(C(=O)c2cccs2)c1C Amb9214301 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.261 Cc1cccc(C(=O)c2ccns2)c1C Amb28142458 [0,0,0,0,0,0|3,0,1]=4 8 B16R2.261 Cc1cccc(C(=O)c2cncs2)c1Br Amb35655282 [0,0,0,0,0,0|3,0,1]=4 9 B16R2.261 Cc1cccc(C(=O)c2cncs2)c1Cl Amb35655266 [0,0,0,0,0,0|3,0,1]=4 10 B16R2.261 Cc1cccc(C(=O)c2cncs2)c1F Amb35590432 [0,0,0,0,0,0|3,0,1]=4 11 B16R2.261 Cc1cccc(C(=O)c2cncs2)c1I Amb35608637 [0,0,0,0,0,0|3,0,1]=4 12 B16R2.261 Cc1cccc(C(=O)c2cnns2)c1C Amb28289173 [0,0,0,0,0,0|3,0,1]=4 13 B16R2.261 Cc1cccc(C(=O)c2cnsc2)c1C Amb29868449 [0,0,0,0,0,0|3,0,1]=4 14 B16R2.261 Cc1cccc(C(=O)c2cnsn2)c1C Amb27240639 [0,0,0,0,0,0|2,0,2]=4 15 B16R2.261 Cc1cccc(C(Br)c2cccs2)c1Br Amb28380961 [0,0,0,0,0,0|4,0,0]=4 16 B16R2.261 Cc1cccc(C(Cl)c2cccs2)c1Br Amb27952603 [0,0,0,0,0,0|4,0,0]=4 17 B15R2.358 CC(c1ccccc1O)n2ccnc2 Amb28365139 [1,0,0,0,0,0|3,0,0]=4 18 B15R2.358 CC(c1ccco1)c2ccccc2N Amb27653301 [1,0,0,0,0,0|3,0,0]=4 19 B15R2.358 CC(c1cccs1)c2ccccc2N Amb27653302 [1,0,0,0,0,0|3,0,0]=4 20 B15R2.358 Cc1ccccc1C(=O)c2cncs2 Amb27612472 [1,0,0,0,0,0|2,0,1]=4 21 B15R2.358 Cc1ccccc1C(C)n2cccc2 Amb19075346 [1,0,0,0,0,0|3,0,0]=4 22 B15R2.358 Cc1ccccc1C(N)c2ccco2 Amb17234393 [1,0,0,0,0,0|3,0,0]=4 23 B15R2.358 Cc1ccccc1C(N)c2cccs2 Amb17622141 [1,0,0,0,0,0|3,0,0]=4 24 B15R2.358 Cc1ccccc1C(N)c2cccs2 Amb9732067 [1,0,0,0,0,0|3,0,0]=4 25 B15R2.358 Cc1ccccc1C(N)c2cnsc2 Amb35715840 [1,0,0,0,0,0|3,0,0]=4 26 B15R2.358 Cc1ccccc1C(N)c2cnsn2 Amb27196918 [1,0,0,0,0,0|2,0,1]=4 27 B15R2.358 Cc1ccccc1C(N)c2cscn2 Amb27238314 [1,0,0,0,0,0|2,0,1]=4 28 B15R2.358 Cc1ccccc1C(O)c2ccco2 Amb17234503 [1,0,0,0,0,0|3,0,0]=4 29 B15R2.358 Cc1ccccc1C(O)c2cccs2 Amb4314085 [1,0,0,0,0,0|3,0,0]=4 30 B15R2.358 Cc1ccccc1C(O)c2cnns2 Amb27452122 [1,0,0,0,0,0|3,0,0]=4 31 B15R2.358 Cc1ccccc1C(O)c2cnsc2 Amb35715817 [1,0,0,0,0,0|3,0,0]=4 32 B15R2.358 Cc1ccccc1C(O)c2cnsn2 Amb27604767 [1,0,0,0,0,0|2,0,1]=4 33 B15R2.358 Cc1ccccc1[C@@H](O)c2ccco2 Amb27662774 [1,0,0,0,0,0|3,0,0]=4 34 B15R2.358 Cc1cccnc1C(N)c2cncs2 Amb35590331 [1,0,0,0,0,0|3,0,0]=4 35 B15R2.358 Cc1cccnc1C(O)c2cncs2 Amb35613221 [1,0,0,0,0,0|3,0,0]=4 36 B15R2.358 Cc1ccncc1C(O)c2cncs2 Amb28428200 [1,0,0,0,0,0|3,0,0]=4 37 B15R2.358 Cc1cnccc1C(N)c2cncs2 Amb35590332 [1,0,0,0,0,0|3,0,0]=4 38 B15R2.358 Cc1cnccc1C(O)c2cncs2 Amb35632385 [1,0,0,0,0,0|3,0,0]=4 39 B15R2.358 Cc1ncccc1C(N)c2cncs2 Amb30021416 [1,0,0,0,0,0|3,0,0]=4 40 B15R2.358 Cc1ncccc1C(O)c2cncs2 Amb35612965 [1,0,0,0,0,0|3,0,0]=4 41 B15R2.358 NC(c1cncs1)c2ccccc2Br Amb35608691 [1,0,0,0,0,0|3,0,0]=4 42 B15R2.358 NC(c1cncs1)c2ccccc2F Amb27592676 [1,0,0,0,0,0|3,0,0]=4 43 B15R2.358 NC(c1cncs1)c2ccccc2I Amb35613264 [1,0,0,0,0,0|3,0,0]=4 44 B15R2.358 Nc1ccccc1C(O)c2cncs2 Amb35613216 [1,0,0,0,0,0|3,0,0]=4 45 B15R2.358 OC(c1cncs1)c2ccccc2Br Amb35612902 [1,0,0,0,0,0|3,0,0]=4 46 B15R2.358 OC(c1cncs1)c2ccccc2I Amb30036622 [1,0,0,0,0,0|3,0,0]=4 47 B15R2.1108 CC(c1cccc(N)c1)n2ccnc2 Amb17134525 [1,0,0,0,0,0|3,0,0]=4 48 B15R2.1108 Cc1cc(C(N)c2cncs2)ccn1 Amb30021417 [1,0,0,0,0,0|3,0,0]=4 49 B15R2.1108 Cc1cc(C(O)c2cncs2)ccn1 Amb35612964 [1,0,0,0,0,0|3,0,0]=4 50 B15R2.1108 Cc1cccc(C(=O)c2cncs2)c1 Amb27612268 [1,0,0,0,0,0|2,0,1]=4 51 B15R2.1108 Cc1cccc(C(N)c2ccco2)c1 Amb17234394 [1,0,0,0,0,0|3,0,0]=4 52 B15R2.1108 Cc1cccc(C(N)c2cccs2)c1 Amb17622131 [1,0,0,0,0,0|3,0,0]=4 53 B15R2.1108 Cc1cccc(C(N)c2cccs2)c1 Amb9732088 [1,0,0,0,0,0|3,0,0]=4 54 B15R2.1108 Cc1cccc(C(N)c2ccoc2)c1 Amb27753247 [1,0,0,0,0,0|3,0,0]=4 55 B15R2.1108 Cc1cccc(C(N)c2cncs2)n1 Amb35590336 [1,0,0,0,0,0|3,0,0]=4 56 B15R2.1108 Cc1cccc(C(N)c2cnsc2)c1 Amb35715839 [1,0,0,0,0,0|3,0,0]=4 57 B15R2.1108 Cc1cccc(C(O)c2ccco2)c1 Amb17234502 [1,0,0,0,0,0|3,0,0]=4 58 B15R2.1108 Cc1cccc(C(O)c2cccs2)c1 Amb4314090 [1,0,0,0,0,0|3,0,0]=4 59 B15R2.1108 Cc1cccc(C(O)c2ccns2)c1 Amb27473848 [1,0,0,0,0,0|3,0,0]=4 60 B15R2.1108 Cc1cccc(C(O)c2ccoc2)c1 Amb28042091 [1,0,0,0,0,0|3,0,0]=4 61 B15R2.1108 Cc1cccc(C(O)c2ccsc2)c1 Amb27171073 [1,0,0,0,0,0|3,0,0]=4 62 B15R2.1108 Cc1cccc(C(O)c2cncs2)c1 Amb28046502 [1,0,0,0,0,0|2,0,0]=3 63 B15R2.1108 Cc1cccc(C(O)c2cncs2)n1 Amb35613217 [1,0,0,0,0,0|3,0,0]=4 64 B15R2.1108 Cc1cccc(C(O)c2cnns2)c1 Amb28185472 [1,0,0,0,0,0|3,0,0]=4 65 B15R2.1108 Cc1cccc(C(O)c2cnsc2)c1 Amb35715818 [1,0,0,0,0,0|3,0,0]=4 66 B15R2.1108 Cc1ccnc(C(N)c2cncs2)c1 Amb35590334 [1,0,0,0,0,0|3,0,0]=4 67 B15R2.1108 Cc1ccnc(C(O)c2cncs2)c1 Amb35613219 [1,0,0,0,0,0|3,0,0]=4 68 B15R2.1108 Cc1cncc(C(N)c2cncs2)c1 Amb27826875 [1,0,0,0,0,0|3,0,0]=4 69 B15R2.1108 Cc1cncc(C(O)c2cncs2)c1 Amb27765395 [1,0,0,0,0,0|3,0,0]=4 70 B15R2.1108 NC(c1cccc(Br)c1)c2cncs2 Amb35608693 [1,0,0,0,0,0|3,0,0]=4 71 B15R2.1108 NC(c1cccc(I)c1)c2cncs2 Amb35613263 [1,0,0,0,0,0|3,0,0]=4 72 B15R2.1108 Nc1cccc(C(O)c2cncs2)c1 Amb35613218 [1,0,0,0,0,0|3,0,0]=4 73 B15R2.1108 OC(c1cccc(Br)c1)c2cncs2 Amb35612903 [1,0,0,0,0,0|3,0,0]=4 74 B15R2.1108 OC(c1cccc(F)c1)c2cncs2 Amb27763298 [1,0,0,0,0,0|3,0,0]=4 75 B15R2.1108 OC(c1cccc(I)c1)c2cncs2 Amb35612911 [1,0,0,0,0,0|3,0,0]=4 76 B15R2.1109 Cc1c(N)cccc1Cc2cccs2 Amb17139924 [1,0,0,0,0,0|3,0,0]=4 77 B15R2.1109 Cc1cccc(CC2=CCCC2)c1C Amb28142556 [1,0,0,0,0,0|2,0,1]=4 78 B15R2.1109 Cc1cccc(Cc2ccco2)c1O Amb27227186 [1,0,0,0,0,0|3,0,0]=4 79 B15R2.1109 Cc1cccc(Cc2cncs2)c1C Amb27249685 [1,0,0,0,0,0|1,0,0]=2 80 B17R2.18715 Cc1cccc(C(N)c2ccc(Cl)s2)c1C Amb9204783 [0,1,0,0,0,0|3,0,0]=4 81 B15R2.4095 Cc1scc(C(N)c2cncs2)c1C Amb30031035 [0,0,0,0,1,0|3,0,0]=4 82 B15R2.4095 Cc1scc(C(O)c2cncs2)c1C Amb35648278 [0,0,0,0,1,0|3,0,0]=4 83 B17R2.5305 Cc1c(Cl)cccc1C(N)c2cccnc2 Amb17320084 [0,0,0,0,0,1|3,0,0]=4 84 B17R2.5305 Cc1c(Cl)cccc1C(N)c2ccncc2 Amb17320099 [0,0,0,0,0,1|3,0,0]=4 85 B14R1.18 CNC(=N)N(C)c1cccc(C)c1C Amb28118851 [1,0,1,0,0,0|1,0,1]=4 86 B14R2.50 Cc1ccccc1Cn2ccnc2 Amb10696059 [2,0,0,0,0,0|2,0,0]=4 87 B14R2.50 Nc1ccccc1Cc2cnco2 Amb27219472 [2,0,0,0,0,0|2,0,0]=4 88 B14R2.50 Nc1ccccc1Cc2cncs2 Amb17204347 [2,0,0,0,0,0|2,0,0]=4 89 B14R2.114 CC(c1ccccc1)c2cccs2 Amb27642116 [2,0,0,0,0,0|2,0,0]=4 90 B14R2.114 CC(c1ccccc1)n2ccnc2 Amb15740528 [2,0,0,0,0,0|2,0,0]=4 91 B14R2.114 OC(c1ccccc1)c2cnco2 Amb27961226 [2,0,0,0,0,0|2,0,0]=4 92 B14R2.114 OC(c1ccccc1)c2cncs2 Amb25676110 [2,0,0,0,0,0|2,0,0]=4 93 B14R2.716 Cc1cccc(Cc2nnco2)c1 Amb26881075 [2,0,0,0,0,0|2,0,0]=4 94 B14R2.716 Cc1cccc(Cn2ccnc2)c1 Amb17232889 [2,0,0,0,0,0|2,0,0]=4 95 B14R2.716 Nc1cccc(Cc2cnco2)c1 Amb27219518 [2,0,0,0,0,0|2,0,0]=4 96 B14R2.716 Nc1cccc(Cc2cncs2)c1 Amb17204348 [2,0,0,0,0,0|2,0,0]=4 97 B16R2.5483 Cc1ccccc1C(CN)c2ccco2 Amb31102276 [1,1,0,0,0,0|2,0,0]=4 98 B16R2.5483 Cc1ccccc1C(CN)c2cccs2 Amb31102483 [1,1,0,0,0,0|2,0,0]=4 99 B16R2.249 Cc1cccc(C(C)(C)c2nnco2)c1 Amb24105632 [1,1,0,0,0,0|2,0,0]=4 100 B16R2.2222 Cc1cccc(C(CN)c2ccco2)c1 Amb31102277 [1,1,0,0,0,0|2,0,0]=4 101 B16R2.2222 Cc1cccc(C(CN)c2cccs2)c1 Amb31102484 [1,1,0,0,0,0|2,0,0]=4 102 B16R2.25698 Cc1cccc(C(=O)c2cncn2C)c1 Amb28249387 [1,1,0,0,0,0|1,0,1]=4 103 B16R2.11382 Cc1c(Cl)cccc1Cc2cnc(N)s2 Amb1111263 [1,1,0,0,0,0|2,0,0]=4 104 B16R2.11382 Cc1c(F)cccc1Cc2cnc(N)s2 Amb18955821 [1,1,0,0,0,0|2,0,0]=4 105 B16R2.11382 Cc1cccc(Cc2cnc(N)s2)c1C Amb1111239 [1,1,0,0,0,0|1,0,0]=3 106 B16R2.11382 Cc1cccc(Cc2cnc(N)s2)c1Cl Amb6892328 [1,1,0,0,0,0|2,0,0]=4 107 B18R2.7817 Cc1cccc(NC(CN)c2ccco2)c1C Amb17407436 [0,1,0,0,0,1|2,0,0]=4 108 B18R2.7817 Cc1cccc(NC(CN)c2cccs2)c1C Amb17411793 [0,1,0,0,0,1|2,0,0]=4 109 B18R2.7817 Cc1cccc(OC(CN)c2cccs2)c1C Amb17160146 [0,1,0,0,0,1|2,0,0]=4 110 B18R2.29508 Cc1cccc(OC(C)c2nnc(N)s2)c1C Amb838592 [0,1,0,0,0,1|2,0,0]=4 111 B18R2.9055 Cc1cccc(N(C)c2ccc(N)nc2)c1C Amb31182611 [0,1,0,0,0,1|2,0,0]=4 112 B16R2.2921 Cc1cccc(-c2ccnc(N)c2)c1C Amb18811637 [0,0,1,1,0,0|0,0,2]=4 113 B16R3.8 c1ccc2c(c1)CNC2c3cncs3 Amb29878272 [1,0,0,1,0,0|2,0,0]=4 114 B18R3.5889 Cc1cccc2c1CCNC2c3ccco3 Amb5735629 [0,1,0,1,0,0|2,0,0]=4 115 B18R3.5889 Cc1cccc2c1CCNC2c3cccs3 Amb5735630 [0,1,0,1,0,0|2,0,0]=4 116 B14R2.23 Cc1c(Br)cccc1-c2cnco2 Amb35652435 [1,0,0,0,1,0|2,0,0]=4 117 B14R2.23 Cc1c(Cl)cccc1-c2cnco2 Amb35652440 [1,0,0,0,1,0|2,0,0]=4 118 B14R2.23 Cc1c(F)cccc1-c2cnco2 Amb35651706 [1,0,0,0,1,0|2,0,0]=4 119 B14R2.23 Cc1c(N)cccc1-c2cncs2 Amb35635977 [1,0,0,0,1,0|2,0,0]=4 120 B14R2.23 Cc1cccc(-c2cnco2)c1Br Amb35652431 [1,0,0,0,1,0|2,0,0]=4 121 B14R2.23 Cc1cccc(-c2cnco2)c1C Amb35652245 [1,0,0,0,1,0|1,0,0]=3 122 B14R2.23 Cc1cccc(-c2cnco2)c1Cl Amb35652483 [1,0,0,0,1,0|2,0,0]=4 123 B14R2.23 Cc1cccc(-c2cnco2)c1F Amb35652439 [1,0,0,0,1,0|2,0,0]=4 124 B14R2.23 Cc1cccc(-c2cnco2)c1I Amb35652412 [1,0,0,0,1,0|2,0,0]=4 125 B14R2.23 Cc1cccc(-c2cncs2)c1N Amb35590311 [1,0,0,0,1,0|2,0,0]=4 126 B14R2.23 Cc1cccc(-n2ccnc2)c1C Amb26367586 [1,0,0,0,1,0|2,0,0]=4 127 B16R2.3896 Cc1ccccc1C(N)c2cccnc2 Amb17236755 [1,0,0,0,0,1|2,0,0]=4 128 B16R2.3896 Cc1ccccc1C(N)c2ccncc2 Amb6356064 [1,0,0,0,0,1|2,0,0]=4 129 B16R2.3896 Cc1ccccc1C(N)c2ccncc2 Amb8503251 [1,0,0,0,0,1|2,0,0]=4 130 B16R2.3896 Cc1ccccc1C(O)c2cccnc2 Amb2655919 [1,0,0,0,0,1|2,0,0]=4 131 B16R2.236 Cc1cccc(C(N)c2cccnc2)c1 Amb17236756 [1,0,0,0,0,1|2,0,0]=4 132 B16R2.236 Cc1cccc(C(N)c2ccncc2)c1 Amb17320093 [1,0,0,0,0,1|2,0,0]=4 133 B16R2.236 Cc1cccc(C(O)c2cccnc2)c1 Amb17236933 [1,0,0,0,0,1|2,0,0]=4 134 B16R2.253 Cc1cccc(NC(C)c2ccco2)c1 Amb6684467 [1,0,0,0,0,1|2,0,0]=4 135 B16R2.253 Cc1cccc(NC(C)c2cccs2)c1 Amb6684459 [1,0,0,0,0,1|2,0,0]=4 136 B16R2.2925 Cc1c(Cl)cccc1NCc2cncs2 Amb33212684 [1,0,0,0,0,1|2,0,0]=4 137 B16R2.2925 Cc1c(F)cccc1NCc2cncs2 Amb18996559 [1,0,0,0,0,1|2,0,0]=4 138 B16R2.2925 Cc1cccc(NCc2ccco2)c1C Amb6700675 [1,0,0,0,0,1|2,0,0]=4 139 B16R2.2925 Cc1cccc(NCc2cccs2)c1C Amb6700672 [1,0,0,0,0,1|2,0,0]=4 140 B16R2.2925 Cc1cccc(NCc2ccsc2)c1C Amb6700681 [1,0,0,0,0,1|2,0,0]=4 141 B16R2.2925 Cc1cccc(NCc2cncs2)c1C Amb18996524 [1,0,0,0,0,1|1,0,0]=3 142 B18R2.3928 Cc1cccc(CNC(C)c2cccs2)c1C Amb23911756 [0,0,0,0,0,2|2,0,0]=4