0 B12R1.16 CCOC(=O)c1ccc(cn1)Br cdp145fp5 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.16 CCOC(=O)c1ccc(cn1)C fpzz0302fp4 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.16 CCOC(=O)c1ccc(cn1)Cl cdp183fp2 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.16 CCOC(=O)c1ccc(cn1)F cdp187fp2 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.16 CCOC(=O)c1ccc(cn1)I ct255fp8de6 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.16 CCOC(=O)c1ccc(cn1)O ct074fp8 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.16 CCOC(=O)c1ccc(nc1)Br ct055fp1 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.16 CCOC(=O)c1ccc(nc1)I rp017vp1 [0,0,0,0,0,0|2,0,0]=2 8 B11R1.22 CNC(=O)c1ccc(cn1)Cl cdp183fp7 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.22 CNC(=O)c1ccc(cn1)F cdp187fp5 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.22 COC(=O)c1ccc(cn1)F cdp187fp1 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.22 COC(=O)c1ccc(cn1)I ct255fp8de5 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.22 COC(=O)c1ccc(cn1)O ct074fp7 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.22 COC(=O)c1ccc(nc1)I cdp263fp1de26 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.22 Cc1ccc(nc1)C(=O)OC fpzz0294fp1 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.22 c1cc(ncc1F)C(=O)CBr cdp187fp7 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.466 CCOC(=O)c1cc(=O)c(co1)O un165lit4 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.466 CCOC(=O)c1cc(c(cn1)N)N dap30 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.466 CCOC(=O)c1cc(c(nc1)N)Br abp017 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.466 CCOC(=O)c1cc(c(nc1)N)Cl acp025 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.466 CCOC(=O)c1cc(c(nc1)N)N dap14 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.1511 CCOC(=O)c1cc[n+](cc1C)[O-] cin047vp2 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.1511 CCOC(=O)c1ccc(nc1O)C wm006 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.1511 CCOC(=O)c1cnc(cc1Br)Br cdp131de2 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.1511 CCOC(=O)c1cnc(cc1C)C ct077lit1 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.1511 CCOC(=O)c1cnc(cc1Cl)Cl ct010 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.1511 CCOC(=O)c1cnc(cc1O)O ct010vp1 [0,1,0,0,0,0|2,0,0]=3 27 B13R2.5179 Cc1cc2c(cn1)C(=O)OCC2 ct077lit3 [0,0,0,1,0,0|2,0,0]=3 28 B10R1.1 CCOc1ccc(cn1)C a007de1de8 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.1 CCOc1ccc(cn1)N a007de1de4 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.1 CCOc1ccc(nc1)Br ct091de3 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.1 CCOc1ccc(nc1)N a007de1de1 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.1 c1cc(ccc1\C=N\N)N un314 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.17 CN\N=C\c1ccccc1 jmc010 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.13 Cc1ccc(nc1)C(=O)O cdp147 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] un178 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.13 c1cc(ncc1C(=O)O)Br ct055 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.13 c1cc(ncc1C(=O)O)F cdp137 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.13 c1cc(ncc1C(=O)O)I un202 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.13 c1cc(ncc1F)C(=O)O cdp187 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.13 c1cc(ncc1I)C(=O)O cdp165de1 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.13 c1cc(ncc1N)C(=O)O ct083 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.13 c1cc(ncc1O)C(=O)O ct074 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.13 c1cc(ncc1S)C(=O)O cdp157de3 [2,0,0,0,0,0|2,0,0]=4 44 B12R1.17 CCNC(=O)c1cccc(c1)C sol07 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.17 CCOC(=O)c1cc(=O)cco1 un165lit3 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.17 CCOC(=O)c1cc(ccn1)Br cdp113fp3 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.17 CCOC(=O)c1cc(ccn1)C cdp081fp2 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.17 CCOC(=O)c1cc(ccn1)Cl cdp085fp3 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.17 CCOC(=O)c1cc(ccn1)O un165 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.17 CCOC(=O)c1cc(cnc1)C cdp225fp1 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.17 CCOC(=O)c1cc(cnc1)Cl ct036fp2 [1,1,0,0,0,0|1,0,0]=3 52 B12R1.17 CCOC(=O)c1cc(cnc1)F cdp221fp4 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.17 CCOC(=O)c1cc(cnc1)N cdp240fp4 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.17 CCOC(=O)c1cc(cnc1)O cdp241fp1 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.17 CCOC(=O)c1cccc(n1)I ct255fp8de7 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.17 CCOC(=O)c1cccc(n1)N cdp203fp1 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.17 CCOC(=O)c1cccc(n1)O a006de8 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.17 CCOC(=O)c1ccnc(c1)Br cdp128fp1 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.17 CCOC(=O)c1ccnc(c1)C cdp082fp2 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.17 CCOC(=O)c1ccnc(c1)I ct255fp8de9 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.30 CCCSC(=S)c1ccccc1 a251lit12 [1,1,0,0,0,0|0,2,0]=4 62 B12R1.308 CCOC(=O)c1c(cccn1)Cl cdp027fp2 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.308 CCOC(=O)c1c(cccn1)F cdp006fp3 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.308 CCOC(=O)c1c(cccn1)I ct255fp8de2 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.308 CCOC(=O)c1c(cccn1)N ct255fp1 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.308 CCOC(=O)c1c(cccn1)O fpzz0286fp1 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.308 CCOC(=O)c1cccnc1I ct255fp8de10 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.308 CCOC(=O)c1ccncc1Br ct051fp3 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.308 CCOC(=O)c1ccncc1C cin047vp1 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.308 CCOC(=O)c1ccncc1Cl cin092 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.308 CCOC(=O)c1ccncc1F f002afp5fp1 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.308 CCOC(=O)c1ccncc1I ct255fp8de1 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.308 CCOC(=O)c1ccncc1N f002afp5 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.308 CCOC(=O)c1ccncc1O f002fp2 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.308 CCOC(=O)c1cnccc1Br cdp282fp2 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.308 CCOC(=O)c1cnccc1Cl cdp270fp2 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.308 CCOC(=O)c1cnccc1N cdp268fp2 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.308 CCOC(=O)c1cnccc1O ct013 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.5 CCc1ccc(nc1)C(=O)OC cdp263fp1de11 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.5 COc1ccc(nc1)C(=O)OC cdp317vp1 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Cl cdp263fp1de18 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.367 COC(=O)c1cc(c(nc1)Cl)O rp211de25lit3 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.367 COC(=O)c1cc(c(nc1)N)N un140fp1 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.367 COC(=O)c1cc(c(nc1)O)Cl cdp263fp1de23 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.367 COC(=O)c1ccc(c(n1)N)N dap16 [1,1,0,0,0,0|1,0,0]=3 86 B12R1.367 Cc1cc(cc[n+]1[O-])C(=O)OC cdp082fp1fp1 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.1703 COC(=O)c1c(cc(cn1)Cl)Cl cdp183fp4 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.1703 COC(=O)c1c(cc(cn1)F)F cdp263fp1de12 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.1703 COC(=O)c1cc[n+](cc1Br)[O-] ct051de1fp3 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl cdp263fp1de30 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)O cdp263fp1de29 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.1703 Cc1cc(ncc1C(=O)OC)C cdp263fp1de31 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.1703 Cc1ccc(c(n1)O)C(=O)OC cdp263fp1de20 [1,1,0,0,0,0|2,0,0]=4 94 B14R1.683 CC(C)(C)OC(=O)c1ccc(cn1)O ct074fp2 [0,2,0,0,0,0|2,0,0]=4 95 B14R1.610 CCOC(=O)c1ccc(cn1)[N+](=O)[O-] cdp165fp2 [0,2,0,0,0,0|1,0,1]=4 96 B14R1.610 CCOC(=O)c1ccc(nc1)C(=O)O cdp183de5 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.7264 CCOC(=O)c1cn(c(=O)cc1Cl)C ct010fp7 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.7265 CCOC(=O)c1cnc(c(c1Cl)Cl)Cl ct010vp1fp6 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.7265 CCOC(=O)c1cnc(c(c1O)Cl)O ct010vp1fp3 [0,2,0,0,0,0|2,0,0]=4 100 B14R1.7233 CCOC(=O)c1cnc(cc1NC)Cl ct010fp6 [0,2,0,0,0,0|2,0,0]=4 101 B14R1.18811 CCOC(=O)c1c(cc(nc1C)C)C ct077lit2 [0,2,0,0,0,0|2,0,0]=4 102 B14R1.18811 CCOC(=O)c1c(cc(nc1Cl)O)O rp058lit5 [0,2,0,0,0,0|2,0,0]=4 103 B12R2.2075 c1ccc(cc1)C(=O)N2CC2 az006 [1,0,0,1,0,0|1,0,0]=3 104 B14R2.926 c1cc(ccc1N)N2CCCC2=O nh017 [0,0,0,1,0,1|1,0,0]=3 105 B14R2.29365 Cc1nc2cc(ccc2c(=O)o1)Cl jmc004 [0,1,0,1,0,0|1,0,1]=4 106 B14R2.954 c1cc(c(cc1C(=O)C2CC2)F)Br un304 [0,1,0,1,0,0|2,0,0]=4 107 B12R1.32 c1ccc(cc1)NC(=O)CCCl ct123 [1,0,0,0,0,1|2,0,0]=4 108 B14R1.502 CCOC(=O)COc1ccc(nc1)Cl cdp172fp17 [0,0,0,0,0,2|2,0,0]=4 109 B14R1.502 CCOC(=O)\C=C\c1ccc(nc1)Br un355 [0,0,0,0,0,2|2,0,0]=4