0 B16R2.261 Cc1c(Cl)cccc1C(=O)c2cscn2 Amb28201871 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.261 Cc1c(Cl)cccc1C(Br)c2cccs2 Amb27669673 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.261 Cc1c(F)cccc1C(Br)c2cccs2 Amb27850661 [0,0,0,0,0,0|4,0,0]=4 3 B16R2.261 Cc1cccc(C(=O)c2cccs2)c1C Amb9214301 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.261 Cc1cccc(C(=O)c2ccsn2)c1C Amb27474615 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.261 Cc1cccc(C(=O)c2cnsn2)c1C Amb27240639 [0,0,0,0,0,0|2,0,2]=4 6 B16R2.261 Cc1cccc(C(=O)c2cscn2)c1Cl Amb28323940 [0,0,0,0,0,0|3,0,1]=4 7 B16R2.261 Cc1cccc(C(Br)c2cccs2)c1Br Amb28380961 [0,0,0,0,0,0|4,0,0]=4 8 B16R2.261 Cc1cccc(C(Cl)c2cccs2)c1Br Amb27952603 [0,0,0,0,0,0|4,0,0]=4 9 B15R2.358 CC(c1ccco1)c2ccccc2N Amb27653301 [1,0,0,0,0,0|3,0,0]=4 10 B15R2.358 CC(c1cccs1)c2ccccc2N Amb27653302 [1,0,0,0,0,0|3,0,0]=4 11 B15R2.358 Cc1ccccc1C(=O)c2cscn2 Amb27875673 [1,0,0,0,0,0|2,0,1]=4 12 B15R2.358 Cc1ccccc1C(C)n2cccc2 Amb19075346 [1,0,0,0,0,0|3,0,0]=4 13 B15R2.358 Cc1ccccc1C(N)c2ccco2 Amb17234393 [1,0,0,0,0,0|3,0,0]=4 14 B15R2.358 Cc1ccccc1C(N)c2cccs2 Amb17622141 [1,0,0,0,0,0|3,0,0]=4 15 B15R2.358 Cc1ccccc1C(N)c2cccs2 Amb9732067 [1,0,0,0,0,0|3,0,0]=4 16 B15R2.358 Cc1ccccc1C(N)c2cnsn2 Amb27196918 [1,0,0,0,0,0|2,0,1]=4 17 B15R2.358 Cc1ccccc1C(N)c2cscn2 Amb27238314 [1,0,0,0,0,0|2,0,0]=3 18 B15R2.358 Cc1ccccc1C(O)c2ccco2 Amb17234503 [1,0,0,0,0,0|3,0,0]=4 19 B15R2.358 Cc1ccccc1C(O)c2cccs2 Amb4314085 [1,0,0,0,0,0|3,0,0]=4 20 B15R2.358 Cc1ccccc1C(O)c2ccsn2 Amb27853319 [1,0,0,0,0,0|3,0,0]=4 21 B15R2.358 Cc1ccccc1C(O)c2cnsn2 Amb27604767 [1,0,0,0,0,0|2,0,1]=4 22 B15R2.358 Cc1ccccc1C(O)c2nccs2 Amb4314087 [1,0,0,0,0,0|3,0,0]=4 23 B15R2.358 Cc1ccccc1[C@@H](O)c2ccco2 Amb27662774 [1,0,0,0,0,0|3,0,0]=4 24 B15R2.358 Cc1cccnc1C(O)c2cscn2 Amb27420745 [1,0,0,0,0,0|3,0,0]=4 25 B15R2.358 Cc1ccncc1C(N)c2cscn2 Amb27813995 [1,0,0,0,0,0|3,0,0]=4 26 B15R2.358 Cc1ccncc1C(O)c2cscn2 Amb27977192 [1,0,0,0,0,0|3,0,0]=4 27 B15R2.358 NC(c1cscn1)c2ccccc2Br Amb28253567 [1,0,0,0,0,0|3,0,0]=4 28 B15R2.358 OC(c1cscn1)c2ccccc2F Amb28428270 [1,0,0,0,0,0|3,0,0]=4 29 B15R2.358 OC(c1cscn1)c2ccccc2I Amb27660081 [1,0,0,0,0,0|3,0,0]=4 30 B15R2.1108 CC(c1cccc(N)c1)n2cccn2 Amb17134524 [1,0,0,0,0,0|3,0,0]=4 31 B15R2.1108 Cc1cccc(C(=O)c2cscn2)c1 Amb28408705 [1,0,0,0,0,0|2,0,1]=4 32 B15R2.1108 Cc1cccc(C(N)c2ccco2)c1 Amb17234394 [1,0,0,0,0,0|3,0,0]=4 33 B15R2.1108 Cc1cccc(C(N)c2cccs2)c1 Amb17622131 [1,0,0,0,0,0|3,0,0]=4 34 B15R2.1108 Cc1cccc(C(N)c2cccs2)c1 Amb9732088 [1,0,0,0,0,0|3,0,0]=4 35 B15R2.1108 Cc1cccc(C(N)c2ccoc2)c1 Amb27753247 [1,0,0,0,0,0|3,0,0]=4 36 B15R2.1108 Cc1cccc(C(O)c2ccco2)c1 Amb17234502 [1,0,0,0,0,0|3,0,0]=4 37 B15R2.1108 Cc1cccc(C(O)c2cccs2)c1 Amb4314090 [1,0,0,0,0,0|3,0,0]=4 38 B15R2.1108 Cc1cccc(C(O)c2ccoc2)c1 Amb28042091 [1,0,0,0,0,0|3,0,0]=4 39 B15R2.1108 Cc1cccc(C(O)c2ccsc2)c1 Amb27171073 [1,0,0,0,0,0|3,0,0]=4 40 B15R2.1108 Cc1cccc(C(O)c2cncs2)c1 Amb28046502 [1,0,0,0,0,0|2,0,1]=4 41 B15R2.1108 Cc1cccc(C(O)c2csnn2)c1 Amb27598670 [1,0,0,0,0,0|3,0,0]=4 42 B15R2.1108 Cc1cccc(C(O)c2nccs2)c1 Amb4314092 [1,0,0,0,0,0|3,0,0]=4 43 B15R2.1108 Cc1cncc(C(N)c2cscn2)c1 Amb27205864 [1,0,0,0,0,0|3,0,0]=4 44 B15R2.1108 Cc1cncc(C(O)c2cscn2)c1 Amb27647454 [1,0,0,0,0,0|3,0,0]=4 45 B15R2.1108 OC(c1cccc(Br)c1)c2cscn2 Amb27199319 [1,0,0,0,0,0|3,0,0]=4 46 B15R2.1108 OC(c1cccc(Cl)c1)c2cscn2 Amb28281295 [1,0,0,0,0,0|3,0,0]=4 47 B15R2.1108 OC(c1cccc(F)c1)c2cscn2 Amb27970611 [1,0,0,0,0,0|3,0,0]=4 48 B15R2.1109 Cc1c(N)cccc1Cc2cccs2 Amb17139924 [1,0,0,0,0,0|3,0,0]=4 49 B15R2.1109 Cc1c(N)cccc1Cc2nccs2 Amb28129663 [1,0,0,0,0,0|3,0,0]=4 50 B15R2.1109 Cc1cccc(CC2=CCCC2)c1C Amb28142556 [1,0,0,0,0,0|2,0,1]=4 51 B15R2.1109 Cc1cccc(Cc2ccco2)c1O Amb27227186 [1,0,0,0,0,0|3,0,0]=4 52 B15R2.1109 Cc1cccc(Cc2cncs2)c1C Amb27249685 [1,0,0,0,0,0|1,0,1]=3 53 B15R2.1109 Cc1cccc(Cc2nccs2)c1N Amb35720990 [1,0,0,0,0,0|3,0,0]=4 54 B15R2.1109 Cc1cccc(Nc2nccs2)c1C Amb3684215 [1,0,0,0,0,0|3,0,0]=4 55 B17R2.18715 Cc1cccc(C(N)c2ccc(Cl)s2)c1C Amb9204783 [0,1,0,0,0,0|3,0,0]=4 56 B15R2.4095 Cc1scc(C(N)c2cscn2)c1C Amb27449582 [0,0,0,0,1,0|3,0,0]=4 57 B17R2.5305 Cc1c(Cl)cccc1C(N)c2cccnc2 Amb17320084 [0,0,0,0,0,1|3,0,0]=4 58 B17R2.5305 Cc1cccc(C(=O)c2ccccn2)c1C Amb6301559 [0,0,0,0,0,1|2,0,1]=4 59 B14R1.18 CNC(=N)N(C)c1cccc(C)c1C Amb28118851 [1,0,1,0,0,0|1,0,1]=4 60 B14R2.114 CC(c1ccccc1)c2cccs2 Amb27642116 [2,0,0,0,0,0|2,0,0]=4 61 B14R2.114 CC(c1ccccc1)c2nccs2 Amb35711313 [2,0,0,0,0,0|2,0,0]=4 62 B14R2.114 CC(c1ccccc1)n2cccn2 Amb27947211 [2,0,0,0,0,0|2,0,0]=4 63 B14R2.114 NC(c1ccccc1)c2cocn2 Amb18825246 [2,0,0,0,0,0|2,0,0]=4 64 B14R2.114 NC(c1ccccc1)c2cscn2 Amb18288421 [2,0,0,0,0,0|2,0,0]=4 65 B14R2.716 Cc1cccc(Cn2cccn2)c1 Amb27750544 [2,0,0,0,0,0|2,0,0]=4 66 B16R1.1680 Cc1cccc(C(C)\C(=N\O)C(N)=O)c1C Amb32757444 [0,1,1,0,0,0|1,0,0]=3 67 B16R2.5483 Cc1ccccc1C(CN)c2ccco2 Amb31102276 [1,1,0,0,0,0|2,0,0]=4 68 B16R2.5483 Cc1ccccc1C(CN)c2cccs2 Amb31102483 [1,1,0,0,0,0|2,0,0]=4 69 B16R2.5483 Cc1ccccc1C(CN)c2nccs2 Amb31175633 [1,1,0,0,0,0|2,0,0]=4 70 B16R2.2222 Cc1cccc(C(CN)c2ccco2)c1 Amb31102277 [1,1,0,0,0,0|2,0,0]=4 71 B16R2.2222 Cc1cccc(C(CN)c2cccs2)c1 Amb31102484 [1,1,0,0,0,0|2,0,0]=4 72 B16R2.2222 Cc1cccc(C(CN)c2nccs2)c1 Amb31175634 [1,1,0,0,0,0|2,0,0]=4 73 B16R2.11382 Cc1cccc(CC2=CNC(=N)S2)c1Cl Amb21811546 [1,1,0,0,0,0|2,0,0]=4 74 B16R2.11382 Cc1cccc(Cc2cnc(N)s2)c1C Amb1111239 [1,1,0,0,0,0|1,0,1]=4 75 B18R2.7817 Cc1cccc(NC(CN)c2ccco2)c1C Amb17407436 [0,1,0,0,0,1|2,0,0]=4 76 B18R2.7817 Cc1cccc(NC(CN)c2cccs2)c1C Amb17411793 [0,1,0,0,0,1|2,0,0]=4 77 B18R2.7817 Cc1cccc(OC(CN)c2cccs2)c1C Amb17160146 [0,1,0,0,0,1|2,0,0]=4 78 B18R2.9055 Cc1cccc(N(C)c2ccc(N)cn2)c1C Amb31098249 [0,1,0,0,0,1|2,0,0]=4 79 B18R2.9055 Cc1cccc(N(C)c2ccc(N)nc2)c1C Amb31182611 [0,1,0,0,0,1|2,0,0]=4 80 B18R2.32591 Cc1cccc(N(C)c2ncccc2N)c1C Amb31098245 [0,1,0,0,0,1|2,0,0]=4 81 B18R3.5889 Cc1cccc2c1CCNC2c3ccco3 Amb5735629 [0,1,0,1,0,0|2,0,0]=4 82 B18R3.5889 Cc1cccc2c1CCNC2c3cccs3 Amb5735630 [0,1,0,1,0,0|2,0,0]=4 83 B14R2.23 Cc1cccc(-c2cnco2)c1C Amb35652245 [1,0,0,0,1,0|1,0,1]=4 84 B14R2.23 Cc1cccc(-c2cscn2)c1N Amb35721368 [1,0,0,0,1,0|2,0,0]=4 85 B14R2.23 Cc1cccc(-c2nccs2)c1C Amb29856845 [1,0,0,0,1,0|2,0,0]=4 86 B16R2.3896 Cc1ccccc1C(N)c2cccnc2 Amb17236755 [1,0,0,0,0,1|2,0,0]=4 87 B16R2.3896 Cc1ccccc1C(N)c2ncccn2 Amb18949730 [1,0,0,0,0,1|2,0,0]=4 88 B16R2.3896 Cc1ccccc1C(O)c2cccnc2 Amb2655919 [1,0,0,0,0,1|2,0,0]=4 89 B16R2.236 Cc1cccc(C(N)c2ccccn2)c1 Amb17320337 [1,0,0,0,0,1|2,0,0]=4 90 B16R2.236 Cc1cccc(C(N)c2cccnc2)c1 Amb17236756 [1,0,0,0,0,1|2,0,0]=4 91 B16R2.236 Cc1cccc(C(N)c2ncccn2)c1 Amb18949727 [1,0,0,0,0,1|2,0,0]=4 92 B16R2.236 Cc1cccc(C(O)c2cccnc2)c1 Amb17236933 [1,0,0,0,0,1|2,0,0]=4 93 B16R2.253 Cc1cccc(NC(C)c2ccco2)c1 Amb6684467 [1,0,0,0,0,1|2,0,0]=4 94 B16R2.253 Cc1cccc(NC(C)c2cccs2)c1 Amb6684459 [1,0,0,0,0,1|2,0,0]=4 95 B16R2.253 Cc1cccc(NC(C)c2nccs2)c1 Amb33456021 [1,0,0,0,0,1|2,0,0]=4 96 B16R2.2925 Cc1cccc(NCc2ccco2)c1C Amb6700675 [1,0,0,0,0,1|2,0,0]=4 97 B16R2.2925 Cc1cccc(NCc2cccs2)c1C Amb6700672 [1,0,0,0,0,1|2,0,0]=4 98 B16R2.2925 Cc1cccc(NCc2ccsc2)c1C Amb6700681 [1,0,0,0,0,1|2,0,0]=4 99 B16R2.2925 Cc1cccc(NCc2cncs2)c1C Amb18996524 [1,0,0,0,0,1|1,0,1]=4 100 B16R2.2925 Cc1cccc(NCc2csnn2)c1C Amb9529128 [1,0,0,0,0,1|2,0,0]=4 101 B16R2.2925 Cc1cccc(NCc2nccs2)c1C Amb17341170 [1,0,0,0,0,1|2,0,0]=4 102 B18R2.3928 Cc1cccc(CNC(C)c2cccs2)c1C Amb23911756 [0,0,0,0,0,2|2,0,0]=4