0 B11R1.24 Cc1cccc(c1)OCC#C fd131lit18 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.10 CCCc1ccnc(c1)N a177 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.10 CCNc1cc(cnc1)C ct051vp1fp2de13 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.10 CCNc1ccc[n+](c1)[O-] cdp027vp2fp7de4 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.10 CCNc1cccc(n1)N cdp206fp13 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.10 CCOc1cc(ccn1)Br ct091 [1,0,0,0,0,0|2,1,0]=4 6 B10R1.10 CCOc1cc(ccn1)C a007de1de9 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.10 CCOc1cc(ccn1)Cl a007de1fp1 [1,0,0,0,0,0|2,1,0]=4 8 B10R1.10 CCOc1cc(ccn1)N a007de1 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.10 CCOc1cc(cnc1)Cl rp121 [1,0,0,0,0,0|2,1,0]=4 10 B10R1.10 CCOc1cc(cnc1)N cdp229de1 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.10 CCOc1cc(cnc1)O cdp229de2 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.10 CCOc1cccc(n1)C a007de1de7 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.10 CCOc1cccc(n1)F rp007 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.10 CCOc1cccc(n1)N cdp194fp3vp1 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.10 CCOc1ccnc(c1)Br ct091de2 [1,0,0,0,0,0|2,1,0]=4 16 B10R1.10 CCOc1ccnc(c1)C ct091de2de3 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.10 CCOc1ccnc(c1)Cl ct091de2de2 [1,0,0,0,0,0|2,1,0]=4 18 B10R1.10 CCOc1ccnc(c1)F ct091de2de8 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.10 CCOc1ccnc(c1)N ct368 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.10 Cc1cccc(c1)\C=N\N un309 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.10 c1cc(cc(c1)Br)\C=N\N un317 [1,0,0,0,0,0|1,1,1]=4 22 B10R1.10 c1cc(cc(c1)Cl)\C=N\N un318 [1,0,0,0,0,0|1,1,1]=4 23 B10R1.10 c1cc(cc(c1)N)\C=N\N un319 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.10 c1cc(cc(c1)O)\C=N\N un321 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.17 CN\N=C\c1ccccc1 jmc010 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.17 c1cc(cnc1)CCCCl tv003vp1 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.17 c1cc(cnc1)CCCN tv003 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.17 c1ccc(cc1)C\C=N\O ab004 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.17 c1cnccc1CCCCl tv004vp1 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.17 c1cnccc1CCCN tv004 [1,0,0,0,0,0|3,0,0]=4 31 B12R1.28 CCCCOc1cc(ccn1)N cdp092fp30 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.24 c1c2c(cnc1N)CCCC2 cdp104de7 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.612 Cc1ccc2c(c1)ccn2C jmc119 [0,0,0,1,0,0|1,0,2]=4 34 B12R2.612 Cn1ccc2c1ccc(c2)Cl md017fp13 [0,0,0,1,0,0|0,1,2]=4 35 B12R2.1081 c1cnc(c2c1CCCC2)N cdp104de6 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.2 CCc1cc(ccn1)Br a007lit2 [2,0,0,0,0,0|1,1,0]=4 37 B9R1.2 CCc1cc(ccn1)N a007lit1 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.2 CCc1cccc(n1)O a006de4 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.2 CCc1ccnc(c1)O a006de3 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.2 CNc1cc(ccn1)N cdp092fp29 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.2 CNc1ccc[n+](c1)[O-] cdp027vp2fp7de5 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.2 CNc1cccc(n1)N cdp206fp14 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.2 COc1cc(ccn1)F rp327 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.2 Cc1cc(cnc1)NC ct051vp1fp2de12 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.2 c1cnc(cc1Cl)CN cdp104vp1a [2,0,0,0,0,0|1,1,0]=4 46 B9R1.8 c1ccc(cc1)\C=N\N un308 [2,0,0,0,0,0|1,0,1]=4 47 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN a057 [1,1,0,0,0,0|0,1,0]=3 48 B11R1.34 CCOc1cc(nc(c1)F)F rp152 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.192 c1cc(c(cc1\C=N/N)F)F bc025vp1de5 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.1 COCOc1ccc(cc1)Br dq127vp1 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.28 c1cc(cnc1)CCCCN tv004lit2 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.28 c1ccnc(c1)CCCCN tv004lit6 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.28 c1cnccc1CCCCN tv004lit1 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.40 C=CC(Cc1ccccc1)O jmc125 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.91 CN(C)\N=C\c1ccccc1 a083 [1,1,0,0,0,0|1,0,1]=4 56 B13R1.149 CN(C)CCOc1cc(ccn1)N cdp092fp23 [0,2,0,0,0,0|2,0,0]=4 57 B11R2.35 Cc1cc(ccn1)C2CC2 cdp107fp24 [1,0,0,1,0,0|2,0,0]=4 58 B11R2.35 Cc1cccc(c1)C2CC2 ll025 [1,0,0,1,0,0|1,0,0]=3 59 B11R2.35 c1cc(cc(c1)Cl)C2CC2 ll019 [1,0,0,1,0,0|0,1,0]=3 60 B11R2.35 c1cc(cc(c1)F)C2CC2 ll023 [1,0,0,1,0,0|0,0,0]=2 61 B11R2.35 c1cc(cc(c1)O)C2CC2 ll012 [1,0,0,1,0,0|1,0,0]=3 62 B11R2.238 c1ccc(cc1)NC2CC2 bio045 [1,0,0,1,0,0|2,0,0]=4 63 B13R2.2038 c1cc(cc(c1)CCl)CC2CC2 bclit001de5lit4 [0,1,0,1,0,0|1,1,0]=4 64 B13R2.2038 c1cc(cc(c1)CO)CC2CC2 bclit001de5lit3 [0,1,0,1,0,0|2,0,0]=4