0 B18R2.6533 Cc1[nH]c(=O)c(cc1SCc2ccccc2)N 62a_100000211182_100010126670 [0,0,0,0,0,0|4,0,0]=4 1 B18R2.6533 Cc1[nH]c(=O)c(cc1SCc2ccccc2)N 62a_100010126670_100015291786 [0,0,0,0,0,0|4,0,0]=4 2 B18R2.6533 Cc1cc(c(=O)[nH]c1C)SCc2ccccc2 62a_100000211182_100010064231 [0,0,0,0,0,0|4,0,0]=4 3 B18R2.6533 Cc1cc(c(=O)[nH]c1C)SCc2ccccc2 62a_100010064231_100015291786 [0,0,0,0,0,0|4,0,0]=4 4 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)C#Cc2ccccc2 271570a_100000069678_100000185368 [0,0,0,0,0,0|1,0,2]=3 5 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)C=Cc2ccccc2 271570a_100102527694_100000185368 [0,0,0,0,0,0|1,0,2]=3 6 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)C=Cc2cccnc2 271570a_100102525586_100000185368 [0,0,0,0,0,0|2,0,2]=4 7 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)NCc2ccccc2 27a_100015324214_100000185368 [0,0,0,0,0,0|2,0,0]=2 8 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)NCc2ccccn2 27a_100000210449_100000185368 [0,0,0,0,0,0|3,0,0]=3 9 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)NCc2cccnc2 27a_100000210453_100000185368 [0,0,0,0,0,0|3,0,0]=3 10 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)NCc2cccnn2 27a_100159270163_100000185368 [0,0,0,0,0,0|4,0,0]=4 11 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)NCc2ccncc2 27a_100000210450_100000185368 [0,0,0,0,0,0|3,0,0]=3 12 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)NCc2ccncn2 27a_100000736019_100000185368 [0,0,0,0,0,0|4,0,0]=4 13 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)NCc2cnccn2 27a_100000737960_100000185368 [0,0,0,0,0,0|4,0,0]=4 14 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)NCc2cncnc2 27a_100011243677_100000185368 [0,0,0,0,0,0|4,0,0]=4 15 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)NCc2ncccn2 27a_100015189908_100000185368 [0,0,0,0,0,0|4,0,0]=4 16 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)SCc2ccccc2 62a_100000185368_100015291786 [0,0,0,0,0,0|2,0,0]=2 17 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)SCc2ccccc2 62a_100000211182_100000185368 [0,0,0,0,0,0|2,0,0]=2 18 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)SCc2ccccn2 62a_100000185368_100000721315 [0,0,0,0,0,0|3,0,0]=3 19 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)SCc2ccccn2 62a_100000721315_100000185368 [0,0,0,0,0,0|3,0,0]=3 20 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)SCc2cccnc2 62a_100000185368_100000741622 [0,0,0,0,0,0|3,0,0]=3 21 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)SCc2cccnc2 62a_100000741622_100000185368 [0,0,0,0,0,0|3,0,0]=3 22 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)SCc2cccnn2 62a_100000185368_100016990269 [0,0,0,0,0,0|4,0,0]=4 23 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)SCc2cccnn2 62a_100016990269_100000185368 [0,0,0,0,0,0|4,0,0]=4 24 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)SCc2ccncc2 62a_100000185368_100015193705 [0,0,0,0,0,0|3,0,0]=3 25 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)SCc2ccncc2 62a_100015193705_100000185368 [0,0,0,0,0,0|3,0,0]=3 26 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)SCc2cnccn2 62a_100000185368_100016995436 [0,0,0,0,0,0|4,0,0]=4 27 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)SCc2cnccn2 62a_100016995436_100000185368 [0,0,0,0,0,0|4,0,0]=4 28 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)SCc2cncnc2 62a_100000185368_100015196519 [0,0,0,0,0,0|4,0,0]=4 29 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)SCc2cncnc2 62a_100015196519_100000185368 [0,0,0,0,0,0|4,0,0]=4 30 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)SCc2ncccn2 62a_100000185368_100000703007 [0,0,0,0,0,0|4,0,0]=4 31 B18R2.6533 Cn1cc(c(=O)[nH]c1=O)SCc2ncccn2 62a_100000703007_100000185368 [0,0,0,0,0,0|4,0,0]=4 32 B17R2.193 Cn1cc(ccc1=O)CNc2ccccc2 207a_100000106764_100010620449 [1,0,0,0,0,0|3,0,0]=4 33 B17R2.193 Cn1cc(ccc1=O)CNc2ccccc2 270302a_100000106764_100010620449 [1,0,0,0,0,0|3,0,0]=4 34 B17R2.193 Cn1cc(ccc1=O)SCc2ccccc2 62a_100000211182_100011245003 [1,0,0,0,0,0|3,0,0]=4 35 B17R2.193 Cn1cc(ccc1=O)SCc2ccccc2 62a_100011245003_100015291786 [1,0,0,0,0,0|3,0,0]=4 36 B17R2.193 Cn1cc(cnc1=O)SCc2ccccc2 62a_100000211182_100009819886 [1,0,0,0,0,0|2,0,1]=4 37 B17R2.193 Cn1cc(cnc1=O)SCc2ccccc2 62a_100009819886_100015291786 [1,0,0,0,0,0|2,0,1]=4 38 B17R2.193 O=c1[nH]cc(cc1Br)SCc2ccccc2 62a_100000211182_100010125443 [1,0,0,0,0,0|3,0,0]=4 39 B17R2.193 O=c1[nH]cc(cc1Br)SCc2ccccc2 62a_100010125443_100015291786 [1,0,0,0,0,0|3,0,0]=4 40 B17R2.193 O=c1[nH]cc(cc1Cl)CNc2ccccc2 207a_100000106764_100000051075 [1,0,0,0,0,0|3,0,0]=4 41 B17R2.193 O=c1[nH]cc(cc1Cl)CNc2ccccc2 270302a_100000106764_100000051075 [1,0,0,0,0,0|3,0,0]=4 42 B17R2.193 O=c1[nH]cc(cc1F)SCc2ccccc2 62a_100000211182_100000723523 [1,0,0,0,0,0|3,0,0]=4 43 B17R2.193 O=c1[nH]cc(cc1F)SCc2ccccc2 62a_100000723523_100015291786 [1,0,0,0,0,0|3,0,0]=4 44 B17R2.193 O=c1[nH]cc(cc1O)C#Cc2ccccc2 271570a_100000069678_100009814561 [1,0,0,0,0,0|1,0,2]=4 45 B17R2.193 O=c1[nH]cc(cc1O)C=Cc2ccccc2 271570a_100102527694_100009814561 [1,0,0,0,0,0|1,0,2]=4 46 B17R2.193 O=c1[nH]cc(cc1O)SCc2ccccc2 62a_100000211182_100009814561 [1,0,0,0,0,0|2,0,0]=3 47 B17R2.193 O=c1[nH]cc(cc1O)SCc2ccccn2 62a_100000721315_100009814561 [1,0,0,0,0,0|3,0,0]=4 48 B17R2.193 O=c1[nH]cc(cc1O)SCc2cccnc2 62a_100000741622_100009814561 [1,0,0,0,0,0|3,0,0]=4 49 B17R2.193 O=c1[nH]cc(cc1O)SCc2ccncc2 62a_100015193705_100009814561 [1,0,0,0,0,0|3,0,0]=4 50 B17R2.5360 Cc1ncc(c(=O)[nH]1)SCc2ccccc2 62a_100000211182_100011999157 [1,0,0,0,0,0|2,0,1]=4 51 B17R2.5360 Cc1ncc(c(=O)[nH]1)SCc2ccccc2 62a_100011999157_100015291786 [1,0,0,0,0,0|2,0,1]=4 52 B17R2.5360 Nc1[nH]c(=O)ccc1SCc2ccccc2 62a_100009884077_100015291786 [1,0,0,0,0,0|3,0,0]=4 53 B17R2.5360 Nc1[nH]c(=O)ncc1SCc2ccccc2 62a_100000211182_100000708077 [1,0,0,0,0,0|2,0,1]=4 54 B17R2.5360 Nc1[nH]c(=O)ncc1SCc2ccccc2 62a_100000708077_100015291786 [1,0,0,0,0,0|2,0,1]=4 55 B17R2.5360 Nc1ncc(c(=O)[nH]1)SCc2ccccc2 62a_100012456729_100015291786 [1,0,0,0,0,0|2,0,1]=4 56 B17R2.5360 O=c1[nH]c(ncc1SCc2ccccc2)O 62a_100000211182_100011215686 [1,0,0,0,0,0|1,0,2]=4 57 B17R2.5360 O=c1[nH]cc(c(=O)[nH]1)COc2ccccc2 7a_100000210340_100000035367 [1,0,0,0,0,0|1,0,0]=2 58 B17R2.5360 O=c1[nH]cc(c(=O)[nH]1)COc2cccnc2 7a_100000210849_100000035367 [1,0,0,0,0,0|2,0,0]=3 59 B17R2.5360 O=c1[nH]cc(c(=O)[nH]1)COc2cncnc2 7a_100000754086_100000035367 [1,0,0,0,0,0|3,0,0]=4 60 B17R2.5360 O=c1[nH]cc(c(=O)[nH]1)CSc2ccccc2 62a_100000719477_100000035367 [1,0,0,0,0,0|1,0,0]=2 61 B17R2.5360 O=c1[nH]cc(c(=O)[nH]1)CSc2ccccn2 62a_100011216584_100000035367 [1,0,0,0,0,0|2,0,0]=3 62 B17R2.5360 O=c1[nH]cc(c(=O)[nH]1)CSc2cccnc2 62a_100000210063_100000035367 [1,0,0,0,0,0|2,0,0]=3 63 B17R2.5360 O=c1[nH]cc(c(=O)[nH]1)CSc2cccnn2 62a_100016991348_100000035367 [1,0,0,0,0,0|3,0,0]=4 64 B17R2.5360 O=c1[nH]cc(c(=O)[nH]1)CSc2ccncc2 62a_100000728582_100000035367 [1,0,0,0,0,0|2,0,0]=3 65 B17R2.5360 O=c1[nH]cc(c(=O)[nH]1)CSc2ccncn2 62a_100000703185_100000035367 [1,0,0,0,0,0|3,0,0]=4 66 B17R2.5360 O=c1[nH]cc(c(=O)[nH]1)CSc2ccnnc2 62a_100000732662_100000035367 [1,0,0,0,0,0|3,0,0]=4 67 B17R2.5360 O=c1[nH]cc(c(=O)[nH]1)CSc2cnccn2 62a_100000211759_100000035367 [1,0,0,0,0,0|3,0,0]=4 68 B17R2.5360 O=c1[nH]cc(c(=O)[nH]1)CSc2cncnc2 62a_100011206942_100000035367 [1,0,0,0,0,0|3,0,0]=4 69 B17R2.5360 O=c1[nH]cc(c(=O)[nH]1)CSc2ncccn2 62a_100000211032_100000035367 [1,0,0,0,0,0|3,0,0]=4 70 B17R2.5360 O=c1[nH]nc(c(=O)[nH]1)C#Cc2ccccc2 271570a_100000069678_100000181694 [1,0,0,0,0,0|1,0,2]=4 71 B17R2.5360 O=c1[nH]nc(c(=O)[nH]1)C=Cc2ccccc2 271570a_100102527694_100000181694 [1,0,0,0,0,0|1,0,2]=4 72 B17R2.5360 O=c1[nH]nc(c(=O)[nH]1)NCc2ccccc2 27a_100015324214_100000181694 [1,0,0,0,0,0|2,0,0]=3 73 B17R2.5360 O=c1[nH]nc(c(=O)[nH]1)NCc2ccccn2 27a_100000210449_100000181694 [1,0,0,0,0,0|3,0,0]=4 74 B17R2.5360 O=c1[nH]nc(c(=O)[nH]1)NCc2cccnc2 27a_100000210453_100000181694 [1,0,0,0,0,0|3,0,0]=4 75 B17R2.5360 O=c1[nH]nc(c(=O)[nH]1)NCc2ccncc2 27a_100000210450_100000181694 [1,0,0,0,0,0|3,0,0]=4 76 B17R2.5360 O=c1[nH]nc(c(=O)[nH]1)SCc2ccccc2 62a_100000211182_100000181694 [1,0,0,0,0,0|2,0,0]=3 77 B17R2.5360 O=c1[nH]nc(c(=O)[nH]1)SCc2ccccn2 62a_100000721315_100000181694 [1,0,0,0,0,0|3,0,0]=4 78 B17R2.5360 O=c1[nH]nc(c(=O)[nH]1)SCc2cccnc2 62a_100000741622_100000181694 [1,0,0,0,0,0|3,0,0]=4 79 B17R2.5360 O=c1[nH]nc(c(=O)[nH]1)SCc2ccncc2 62a_100015193705_100000181694 [1,0,0,0,0,0|3,0,0]=4 80 B17R2.5360 O=c1cc(c(c[nH]1)SCc2ccccc2)F 62a_100000211182_100015631685 [1,0,0,0,0,0|3,0,0]=4 81 B17R2.5360 O=c1cc(c(c[nH]1)SCc2ccccc2)F 62a_100015631685_100015291786 [1,0,0,0,0,0|3,0,0]=4 82 B17R2.5365 Cn1ccc(=O)c(c1)SCc2ccccc2 62a_100000211182_100010750718 [1,0,0,0,0,0|3,0,0]=4 83 B17R2.5365 Cn1ccc(=O)c(c1)SCc2ccccc2 62a_100010750718_100015291786 [1,0,0,0,0,0|3,0,0]=4 84 B17R2.5365 O=c1[nH]cc(cc1CNc2ccccc2)F 207a_100000106764_100000137007 [1,0,0,0,0,0|3,0,0]=4 85 B17R2.5365 O=c1[nH]cc(cc1SCc2ccccc2)F 62a_100000211182_100009817720 [1,0,0,0,0,0|3,0,0]=4 86 B17R2.5365 O=c1[nH]cc(cc1SCc2ccccc2)F 62a_100009817720_100015291786 [1,0,0,0,0,0|3,0,0]=4 87 B19R2.7716 CN(Cc1ccccc1)c2cn(c(=O)[nH]c2=O)C 27a_100000186898_100000185368 [0,1,0,0,0,0|2,0,0]=3 88 B19R2.7716 CN(Cc1ccccn1)c2cn(c(=O)[nH]c2=O)C 27a_100000207498_100000185368 [0,1,0,0,0,0|3,0,0]=4 89 B19R2.7716 CN(Cc1cccnc1)c2cn(c(=O)[nH]c2=O)C 27a_100000184577_100000185368 [0,1,0,0,0,0|3,0,0]=4 90 B19R2.7716 CN(Cc1ccncc1)c2cn(c(=O)[nH]c2=O)C 27a_100000187231_100000185368 [0,1,0,0,0,0|3,0,0]=4 91 B19R2.7720 CC(Cc1cn(c(=O)[nH]c1=O)C)c2ccccc2 271570a_100000062452_100000185368 [0,1,0,0,0,0|1,0,0]=2 92 B19R2.7720 CC(Nc1cn(c(=O)[nH]c1=O)C)c2ccccn2 27a_100000181244_100000185368 [0,1,0,0,0,0|3,0,0]=4 93 B19R2.7720 CC(Nc1cn(c(=O)[nH]c1=O)C)c2cccnc2 27a_100000195435_100000185368 [0,1,0,0,0,0|3,0,0]=4 94 B19R2.7720 CC(Nc1cn(c(=O)[nH]c1=O)C)c2ccncc2 27a_100000181269_100000185368 [0,1,0,0,0,0|3,0,0]=4 95 B19R2.7720 CC(Sc1cn(c(=O)[nH]c1=O)C)c2ccccc2 62a_100000185368_100000230085 [0,1,0,0,0,0|2,0,0]=3 96 B19R2.7720 CC(Sc1cn(c(=O)[nH]c1=O)C)c2ccccc2 62a_100000230085_100000185368 [0,1,0,0,0,0|2,0,0]=3 97 B19R2.7720 C[C@@H](Nc1cn(c(=O)[nH]c1=O)C)c2ccccc2 27a_100000751104_100000185368 [0,1,0,0,0,0|2,0,0]=3 98 B19R2.7720 Cc1[nH]c(=O)c(cc1CC(C)c2ccccc2)N 271570a_100000062452_100010126670 [0,1,0,0,0,0|3,0,0]=4 99 B19R2.7720 Cc1cc(c(=O)[nH]c1C)CC(C)c2ccccc2 271570a_100000062452_100010064231 [0,1,0,0,0,0|3,0,0]=4 100 B19R2.17333 Cn1cc(c(=O)n(c1=O)C)C#Cc2ccccc2 271570a_100000069678_100011218054 [0,1,0,0,0,0|1,0,2]=4 101 B19R2.17333 Cn1cc(c(=O)n(c1=O)C)C=Cc2ccccc2 271570a_100102527694_100011218054 [0,1,0,0,0,0|1,0,2]=4 102 B19R2.17333 Cn1cc(c(=O)n(c1=O)C)CNc2ccccc2 270302a_100000106764_100000240481 [0,1,0,0,0,0|2,0,0]=3 103 B19R2.17333 Cn1cc(c(=O)n(c1=O)C)OCc2ccccc2 7a_200000084095_100000211182 [0,1,0,0,0,0|2,0,0]=3 104 B19R2.17333 Cn1cc(c(=O)n(c1=O)C)OCc2ccccn2 7a_200000084095_100000721315 [0,1,0,0,0,0|3,0,0]=4 105 B19R2.17333 Cn1cc(c(=O)n(c1=O)C)OCc2cccnc2 7a_200000084095_100000741622 [0,1,0,0,0,0|3,0,0]=4 106 B19R2.17333 Cn1cc(c(=O)n(c1=O)C)OCc2ccncc2 7a_200000084095_100015193705 [0,1,0,0,0,0|3,0,0]=4 107 B19R2.17333 Cn1cc(c(=O)n(c1=O)C)SCc2ccccc2 62a_100000211182_100011218054 [0,1,0,0,0,0|2,0,0]=3 108 B19R2.17333 Cn1cc(c(=O)n(c1=O)C)SCc2ccccc2 62a_100011218054_100015291786 [0,1,0,0,0,0|2,0,0]=3 109 B19R2.17333 Cn1cc(c(=O)n(c1=O)C)SCc2ccccn2 62a_100000721315_100011218054 [0,1,0,0,0,0|3,0,0]=4 110 B19R2.17333 Cn1cc(c(=O)n(c1=O)C)SCc2ccccn2 62a_100011218054_100000721315 [0,1,0,0,0,0|3,0,0]=4 111 B19R2.17333 Cn1cc(c(=O)n(c1=O)C)SCc2cccnc2 62a_100000741622_100011218054 [0,1,0,0,0,0|3,0,0]=4 112 B19R2.17333 Cn1cc(c(=O)n(c1=O)C)SCc2cccnc2 62a_100011218054_100000741622 [0,1,0,0,0,0|3,0,0]=4 113 B19R2.17333 Cn1cc(c(=O)n(c1=O)C)SCc2ccncc2 62a_100011218054_100015193705 [0,1,0,0,0,0|3,0,0]=4 114 B19R2.17333 Cn1cc(c(=O)n(c1=O)C)SCc2ccncc2 62a_100015193705_100011218054 [0,1,0,0,0,0|3,0,0]=4 115 B19R2.17333 Cn1nc(c(=O)n(c1=O)C)SCc2ccccc2 62a_100000195409_100015291786 [0,1,0,0,0,0|3,0,0]=4 116 B19R2.17333 Cn1nc(c(=O)n(c1=O)C)SCc2ccccc2 62a_100000211182_100000195409 [0,1,0,0,0,0|3,0,0]=4 117 B19R2.17337 Cn1c(c(c(=O)[nH]c1=O)C#Cc2ccccc2)N 271570a_100000069678_100000184672 [0,1,0,0,0,0|1,0,2]=4 118 B19R2.17337 Cn1c(c(c(=O)[nH]c1=O)C=Cc2ccccc2)N 271570a_100102527694_100000184672 [0,1,0,0,0,0|1,0,2]=4 119 B19R2.17337 Cn1c(c(c(=O)[nH]c1=O)SCc2ccccc2)N 62a_100000184672_100015291786 [0,1,0,0,0,0|2,0,0]=3 120 B19R2.17337 Cn1c(c(c(=O)[nH]c1=O)SCc2ccccc2)N 62a_100000211182_100000184672 [0,1,0,0,0,0|2,0,0]=3 121 B19R2.17337 Cn1c(c(c(=O)[nH]c1=O)SCc2ccccn2)N 62a_100000184672_100000721315 [0,1,0,0,0,0|3,0,0]=4 122 B19R2.17337 Cn1c(c(c(=O)[nH]c1=O)SCc2ccccn2)N 62a_100000721315_100000184672 [0,1,0,0,0,0|3,0,0]=4 123 B19R2.17337 Cn1c(c(c(=O)[nH]c1=O)SCc2cccnc2)N 62a_100000184672_100000741622 [0,1,0,0,0,0|3,0,0]=4 124 B19R2.17337 Cn1c(c(c(=O)[nH]c1=O)SCc2cccnc2)N 62a_100000741622_100000184672 [0,1,0,0,0,0|3,0,0]=4 125 B19R2.17337 Cn1c(c(c(=O)[nH]c1=O)SCc2ccncc2)N 62a_100000184672_100015193705 [0,1,0,0,0,0|3,0,0]=4 126 B19R2.17337 Cn1c(c(c(=O)[nH]c1=O)SCc2ccncc2)N 62a_100015193705_100000184672 [0,1,0,0,0,0|3,0,0]=4 127 B19R2.97884 Cc1ccccc1CNc2cn(c(=O)[nH]c2=O)C 27a_100000174972_100000185368 [0,1,0,0,0,0|2,0,0]=3 128 B19R2.97884 Cc1ccccc1CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000211839 [0,1,0,0,0,0|2,0,0]=3 129 B19R2.97884 Cc1ccccc1CSc2cn(c(=O)[nH]c2=O)C 62a_100000211839_100000185368 [0,1,0,0,0,0|2,0,0]=3 130 B19R2.97884 Cc1cccnc1CNc2cn(c(=O)[nH]c2=O)C 27a_100011223789_100000185368 [0,1,0,0,0,0|3,0,0]=4 131 B19R2.97884 Cc1cccnc1CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000696600 [0,1,0,0,0,0|3,0,0]=4 132 B19R2.97884 Cc1cccnc1CSc2cn(c(=O)[nH]c2=O)C 62a_100000696600_100000185368 [0,1,0,0,0,0|3,0,0]=4 133 B19R2.97884 Cc1ccncc1CNc2cn(c(=O)[nH]c2=O)C 27a_100011997553_100000185368 [0,1,0,0,0,0|3,0,0]=4 134 B19R2.97884 Cc1ccncc1CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000690890 [0,1,0,0,0,0|3,0,0]=4 135 B19R2.97884 Cc1ccncc1CSc2cn(c(=O)[nH]c2=O)C 62a_100000690890_100000185368 [0,1,0,0,0,0|3,0,0]=4 136 B19R2.97884 Cc1cnccc1CNc2cn(c(=O)[nH]c2=O)C 27a_100000708811_100000185368 [0,1,0,0,0,0|3,0,0]=4 137 B19R2.97884 Cc1cnccc1CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100020672808 [0,1,0,0,0,0|3,0,0]=4 138 B19R2.97884 Cc1cnccc1CSc2cn(c(=O)[nH]c2=O)C 62a_100020672808_100000185368 [0,1,0,0,0,0|3,0,0]=4 139 B19R2.97884 Cc1ncccc1CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000732876 [0,1,0,0,0,0|3,0,0]=4 140 B19R2.97884 Cc1ncccc1CSc2cn(c(=O)[nH]c2=O)C 62a_100000732876_100000185368 [0,1,0,0,0,0|3,0,0]=4 141 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)C=Cc2ccccc2F 271570a_200102527919_100000185368 [0,1,0,0,0,0|1,0,2]=4 142 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)NCc2ccccc2Br 27a_100000689332_100000185368 [0,1,0,0,0,0|2,0,0]=3 143 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)NCc2ccccc2Cl 27a_100000174879_100000185368 [0,1,0,0,0,0|2,0,0]=3 144 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)NCc2ccccc2F 27a_100000174869_100000185368 [0,1,0,0,0,0|2,0,0]=3 145 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)NCc2ccccc2I 27a_100015347259_100000185368 [0,1,0,0,0,0|2,0,0]=3 146 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)NCc2ccccc2O 27a_100000185550_100000185368 [0,1,0,0,0,0|2,0,0]=3 147 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)NCc2cccnc2Br 27a_100009818023_100000185368 [0,1,0,0,0,0|3,0,0]=4 148 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)NCc2cccnc2Cl 27a_100015189234_100000185368 [0,1,0,0,0,0|3,0,0]=4 149 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)NCc2cccnc2F 27a_100000724633_100000185368 [0,1,0,0,0,0|3,0,0]=4 150 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)NCc2ccncc2Br 27a_100020640021_100000185368 [0,1,0,0,0,0|3,0,0]=4 151 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)NCc2ccncc2F 27a_100011935246_100000185368 [0,1,0,0,0,0|3,0,0]=4 152 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)NCc2ncccc2Br 27a_100020591323_100000185368 [0,1,0,0,0,0|3,0,0]=4 153 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)NCc2ncccc2Cl 27a_100015189233_100000185368 [0,1,0,0,0,0|3,0,0]=4 154 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)NCc2ncccc2F 27a_100000690088_100000185368 [0,1,0,0,0,0|3,0,0]=4 155 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ccccc2Br 62a_100000184730_100000185368 [0,1,0,0,0,0|2,0,0]=3 156 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ccccc2Br 62a_100000185368_100000184730 [0,1,0,0,0,0|2,0,0]=3 157 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ccccc2Cl 62a_100000185368_100000187162 [0,1,0,0,0,0|2,0,0]=3 158 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ccccc2Cl 62a_100000187162_100000185368 [0,1,0,0,0,0|2,0,0]=3 159 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ccccc2F 62a_100000185368_100000211605 [0,1,0,0,0,0|2,0,0]=3 160 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ccccc2F 62a_100000211605_100000185368 [0,1,0,0,0,0|2,0,0]=3 161 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ccccc2I 62a_100000185368_100011216222 [0,1,0,0,0,0|2,0,0]=3 162 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ccccc2I 62a_100011216222_100000185368 [0,1,0,0,0,0|2,0,0]=3 163 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2cccnc2Br 62a_100000185368_100010140945 [0,1,0,0,0,0|3,0,0]=4 164 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2cccnc2Br 62a_100010140945_100000185368 [0,1,0,0,0,0|3,0,0]=4 165 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2cccnc2Cl 62a_100000045678_100000185368 [0,1,0,0,0,0|3,0,0]=4 166 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2cccnc2Cl 62a_100000185368_100000045678 [0,1,0,0,0,0|3,0,0]=4 167 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2cccnc2F 62a_100000099810_100000185368 [0,1,0,0,0,0|3,0,0]=4 168 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2cccnc2F 62a_100000185368_100000099810 [0,1,0,0,0,0|3,0,0]=4 169 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ccncc2Cl 62a_100000185368_100000763264 [0,1,0,0,0,0|3,0,0]=4 170 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ccncc2Cl 62a_100000763264_100000185368 [0,1,0,0,0,0|3,0,0]=4 171 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ncccc2Br 62a_100000185368_100025702911 [0,1,0,0,0,0|3,0,0]=4 172 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ncccc2Br 62a_100025702911_100000185368 [0,1,0,0,0,0|3,0,0]=4 173 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ncccc2Cl 62a_100000099807_100000185368 [0,1,0,0,0,0|3,0,0]=4 174 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ncccc2Cl 62a_100000185368_100000099807 [0,1,0,0,0,0|3,0,0]=4 175 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ncccc2F 62a_100000104219_100000185368 [0,1,0,0,0,0|3,0,0]=4 176 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ncccc2F 62a_100000185368_100000104219 [0,1,0,0,0,0|3,0,0]=4 177 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ncccc2O 62a_100000185368_200020655725 [0,1,0,0,0,0|3,0,0]=4 178 B19R2.97884 Cn1cc(c(=O)[nH]c1=O)SCc2ncccc2O 62a_200020655725_100000185368 [0,1,0,0,0,0|3,0,0]=4 179 B19R2.151588 Cc1ccc(cc1)C=Cc2cn(c(=O)[nH]c2=O)C 271570a_100102527916_100000185368 [0,1,0,0,0,0|1,0,2]=4 180 B19R2.151588 Cc1ccc(cc1)CNc2cn(c(=O)[nH]c2=O)C 27a_100000174908_100000185368 [0,1,0,0,0,0|2,0,0]=3 181 B19R2.151588 Cc1ccc(cc1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000210814 [0,1,0,0,0,0|2,0,0]=3 182 B19R2.151588 Cc1ccc(cc1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000210814_100000185368 [0,1,0,0,0,0|2,0,0]=3 183 B19R2.151588 Cc1ccc(cn1)CNc2cn(c(=O)[nH]c2=O)C 27a_100000740942_100000185368 [0,1,0,0,0,0|3,0,0]=4 184 B19R2.151588 Cc1ccc(cn1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100016987292 [0,1,0,0,0,0|3,0,0]=4 185 B19R2.151588 Cc1ccc(cn1)CSc2cn(c(=O)[nH]c2=O)C 62a_100016987292_100000185368 [0,1,0,0,0,0|3,0,0]=4 186 B19R2.151588 Cc1ccc(nc1)CNc2cn(c(=O)[nH]c2=O)C 27a_100015187455_100000185368 [0,1,0,0,0,0|3,0,0]=4 187 B19R2.151588 Cc1ccc(nc1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000691093 [0,1,0,0,0,0|3,0,0]=4 188 B19R2.151588 Cc1ccc(nc1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000691093_100000185368 [0,1,0,0,0,0|3,0,0]=4 189 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)C=Cc2ccc(cc2)Br 271570a_100102527914_100000185368 [0,1,0,0,0,0|1,0,2]=4 190 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)C=Cc2ccc(cc2)Cl 271570a_100102527930_100000185368 [0,1,0,0,0,0|1,0,2]=4 191 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)C=Cc2ccc(cc2)F 271570a_100102525539_100000185368 [0,1,0,0,0,0|1,0,2]=4 192 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cc2)Br 27a_100000174875_100000185368 [0,1,0,0,0,0|2,0,0]=3 193 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cc2)Cl 27a_100000174871_100000185368 [0,1,0,0,0,0|2,0,0]=3 194 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cc2)F 27a_100000174882_100000185368 [0,1,0,0,0,0|2,0,0]=3 195 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cc2)I 27a_100016989417_100000185368 [0,1,0,0,0,0|2,0,0]=3 196 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cc2)O 27a_100000185549_100000185368 [0,1,0,0,0,0|2,0,0]=3 197 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cn2)Br 27a_100015188789_100000185368 [0,1,0,0,0,0|3,0,0]=4 198 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cn2)Cl 27a_100000697193_100000185368 [0,1,0,0,0,0|3,0,0]=4 199 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cn2)F 27a_100020620131_100000185368 [0,1,0,0,0,0|3,0,0]=4 200 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cn2)O 27a_100020605196_100000185368 [0,1,0,0,0,0|3,0,0]=4 201 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(nc2)Br 27a_100009817727_100000185368 [0,1,0,0,0,0|3,0,0]=4 202 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(nc2)Cl 27a_100000735879_100000185368 [0,1,0,0,0,0|3,0,0]=4 203 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(nc2)F 27a_100000101913_100000185368 [0,1,0,0,0,0|3,0,0]=4 204 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(nc2)O 27a_100000757128_100000185368 [0,1,0,0,0,0|3,0,0]=4 205 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2)Br 62a_100000185368_100000189115 [0,1,0,0,0,0|2,0,0]=3 206 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2)Br 62a_100000189115_100000185368 [0,1,0,0,0,0|2,0,0]=3 207 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2)Cl 62a_100000185368_100000187161 [0,1,0,0,0,0|2,0,0]=3 208 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2)Cl 62a_100000187161_100000185368 [0,1,0,0,0,0|2,0,0]=3 209 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2)F 62a_100000185368_100000187164 [0,1,0,0,0,0|2,0,0]=3 210 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2)F 62a_100000198546_100000185368 [0,1,0,0,0,0|2,0,0]=3 211 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2)I 62a_100000185368_100000189116 [0,1,0,0,0,0|2,0,0]=3 212 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2)I 62a_100000189116_100000185368 [0,1,0,0,0,0|2,0,0]=3 213 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cn2)Br 62a_100000185368_100000702658 [0,1,0,0,0,0|3,0,0]=4 214 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cn2)Br 62a_100000702658_100000185368 [0,1,0,0,0,0|3,0,0]=4 215 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cn2)Cl 62a_100000185368_100000697101 [0,1,0,0,0,0|3,0,0]=4 216 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cn2)Cl 62a_100012066911_100000185368 [0,1,0,0,0,0|3,0,0]=4 217 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cn2)F 62a_100000185368_100000703193 [0,1,0,0,0,0|3,0,0]=4 218 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cn2)F 62a_100000703193_100000185368 [0,1,0,0,0,0|3,0,0]=4 219 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(nc2)Br 62a_100000185368_100009831999 [0,1,0,0,0,0|3,0,0]=4 220 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(nc2)Br 62a_100009831999_100000185368 [0,1,0,0,0,0|3,0,0]=4 221 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(nc2)Cl 62a_100000185368_100000735431 [0,1,0,0,0,0|3,0,0]=4 222 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(nc2)Cl 62a_100000735431_100000185368 [0,1,0,0,0,0|3,0,0]=4 223 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(nc2)F 62a_100000185368_100000099788 [0,1,0,0,0,0|3,0,0]=4 224 B19R2.151588 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(nc2)F 62a_100009820150_100000185368 [0,1,0,0,0,0|3,0,0]=4 225 B19R2.956441 Cc1cc(ccn1)CNc2cn(c(=O)[nH]c2=O)C 27a_100011934566_100000185368 [0,1,0,0,0,0|3,0,0]=4 226 B19R2.956441 Cc1cc(ccn1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_200020672517 [0,1,0,0,0,0|3,0,0]=4 227 B19R2.956441 Cc1cc(ccn1)CSc2cn(c(=O)[nH]c2=O)C 62a_200020672517_100000185368 [0,1,0,0,0,0|3,0,0]=4 228 B19R2.956441 Cc1cccc(c1)C=Cc2cn(c(=O)[nH]c2=O)C 271570a_200135466880_100000185368 [0,1,0,0,0,0|1,0,2]=4 229 B19R2.956441 Cc1cccc(c1)CNc2cn(c(=O)[nH]c2=O)C 27a_100000185548_100000185368 [0,1,0,0,0,0|2,0,0]=3 230 B19R2.956441 Cc1cccc(c1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000211840 [0,1,0,0,0,0|2,0,0]=3 231 B19R2.956441 Cc1cccc(c1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000211840_100000185368 [0,1,0,0,0,0|2,0,0]=3 232 B19R2.956441 Cc1cccc(n1)CNc2cn(c(=O)[nH]c2=O)C 27a_100000701342_100000185368 [0,1,0,0,0,0|3,0,0]=4 233 B19R2.956441 Cc1cccc(n1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000757606 [0,1,0,0,0,0|3,0,0]=4 234 B19R2.956441 Cc1cccc(n1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000757606_100000185368 [0,1,0,0,0,0|3,0,0]=4 235 B19R2.956441 Cc1ccnc(c1)CNc2cn(c(=O)[nH]c2=O)C 27a_100011934573_100000185368 [0,1,0,0,0,0|3,0,0]=4 236 B19R2.956441 Cc1ccnc(c1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000718516 [0,1,0,0,0,0|3,0,0]=4 237 B19R2.956441 Cc1ccnc(c1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000718516_100000185368 [0,1,0,0,0,0|3,0,0]=4 238 B19R2.956441 Cc1cncc(c1)CNc2cn(c(=O)[nH]c2=O)C 27a_100000692839_100000185368 [0,1,0,0,0,0|3,0,0]=4 239 B19R2.956441 Cc1cncc(c1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000716715 [0,1,0,0,0,0|3,0,0]=4 240 B19R2.956441 Cc1cncc(c1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000716715_100000185368 [0,1,0,0,0,0|3,0,0]=4 241 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)C=Cc2cccc(c2)Cl 271570a_100102525933_100000185368 [0,1,0,0,0,0|1,0,2]=4 242 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)C=Cc2cccc(c2)F 271570a_100102525537_100000185368 [0,1,0,0,0,0|1,0,2]=4 243 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2cc(ccn2)Br 27a_100009818019_100000185368 [0,1,0,0,0,0|3,0,0]=4 244 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2cc(ccn2)Cl 27a_100000085674_100000185368 [0,1,0,0,0,0|3,0,0]=4 245 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(c2)Br 27a_100000174977_100000185368 [0,1,0,0,0,0|2,0,0]=3 246 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(c2)Cl 27a_100000174878_100000185368 [0,1,0,0,0,0|2,0,0]=3 247 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(c2)F 27a_100000174948_100000185368 [0,1,0,0,0,0|2,0,0]=3 248 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(c2)I 27a_100000106179_100000185368 [0,1,0,0,0,0|2,0,0]=3 249 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(c2)O 27a_100000743036_100000185368 [0,1,0,0,0,0|2,0,0]=3 250 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(n2)Br 27a_100016987751_100000185368 [0,1,0,0,0,0|3,0,0]=4 251 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(n2)Cl 27a_100016990191_100000185368 [0,1,0,0,0,0|3,0,0]=4 252 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(n2)F 27a_100015188798_100000185368 [0,1,0,0,0,0|3,0,0]=4 253 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2ccnc(c2)Br 27a_100025757509_100000185368 [0,1,0,0,0,0|3,0,0]=4 254 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2ccnc(c2)Cl 27a_100015205668_100000185368 [0,1,0,0,0,0|3,0,0]=4 255 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2ccnc(c2)F 27a_100015188774_100000185368 [0,1,0,0,0,0|3,0,0]=4 256 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2ccnc(c2)O 27a_100000748557_100000185368 [0,1,0,0,0,0|3,0,0]=4 257 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2cncc(c2)Br 27a_100011249555_100000185368 [0,1,0,0,0,0|3,0,0]=4 258 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2cncc(c2)Cl 27a_200020614424_100000185368 [0,1,0,0,0,0|3,0,0]=4 259 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)NCc2cncc(c2)F 27a_100011962886_100000185368 [0,1,0,0,0,0|3,0,0]=4 260 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccn2)Br 62a_100000185368_100010173614 [0,1,0,0,0,0|3,0,0]=4 261 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccn2)Br 62a_100010173614_100000185368 [0,1,0,0,0,0|3,0,0]=4 262 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccn2)Cl 62a_100000185368_100016988179 [0,1,0,0,0,0|3,0,0]=4 263 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccn2)Cl 62a_100016988179_100000185368 [0,1,0,0,0,0|3,0,0]=4 264 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2)Br 62a_100000185368_100000211773 [0,1,0,0,0,0|2,0,0]=3 265 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2)Br 62a_100000211773_100000185368 [0,1,0,0,0,0|2,0,0]=3 266 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2)Cl 62a_100000185368_100000187163 [0,1,0,0,0,0|2,0,0]=3 267 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2)Cl 62a_100000187163_100000185368 [0,1,0,0,0,0|2,0,0]=3 268 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2)F 62a_100000185368_100000230114 [0,1,0,0,0,0|2,0,0]=3 269 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2)F 62a_100000230114_100000185368 [0,1,0,0,0,0|2,0,0]=3 270 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2)I 62a_100000185368_100011218688 [0,1,0,0,0,0|2,0,0]=3 271 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2)I 62a_100011218688_100000185368 [0,1,0,0,0,0|2,0,0]=3 272 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2)O 62a_100000185368_100011660834 [0,1,0,0,0,0|2,0,0]=3 273 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2)O 62a_100011660834_100000185368 [0,1,0,0,0,0|2,0,0]=3 274 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(n2)Br 62a_100000185368_100009889011 [0,1,0,0,0,0|3,0,0]=4 275 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(n2)Br 62a_100009889011_100000185368 [0,1,0,0,0,0|3,0,0]=4 276 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(n2)Cl 62a_100000086093_100000185368 [0,1,0,0,0,0|3,0,0]=4 277 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(n2)Cl 62a_100000185368_100000086093 [0,1,0,0,0,0|3,0,0]=4 278 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(n2)F 62a_100000185368_100009819644 [0,1,0,0,0,0|3,0,0]=4 279 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(n2)F 62a_100009819644_100000185368 [0,1,0,0,0,0|3,0,0]=4 280 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2ccnc(c2)Br 62a_100000185368_100010243470 [0,1,0,0,0,0|3,0,0]=4 281 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2ccnc(c2)Br 62a_100010254460_100000185368 [0,1,0,0,0,0|3,0,0]=4 282 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2ccnc(c2)Cl 62a_100000185368_100000764220 [0,1,0,0,0,0|3,0,0]=4 283 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2ccnc(c2)Cl 62a_100000764220_100000185368 [0,1,0,0,0,0|3,0,0]=4 284 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cncc(c2)Br 62a_100000185368_100000738771 [0,1,0,0,0,0|3,0,0]=4 285 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cncc(c2)Br 62a_100000738771_100000185368 [0,1,0,0,0,0|3,0,0]=4 286 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cncc(c2)Cl 62a_100000185368_100016992070 [0,1,0,0,0,0|3,0,0]=4 287 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cncc(c2)Cl 62a_100016992070_100000185368 [0,1,0,0,0,0|3,0,0]=4 288 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cncc(c2)F 62a_100000185368_100000725299 [0,1,0,0,0,0|3,0,0]=4 289 B19R2.956441 Cn1cc(c(=O)[nH]c1=O)SCc2cncc(c2)F 62a_100000725299_100000185368 [0,1,0,0,0,0|3,0,0]=4 290 B17R2.5352 Cn1cc(c(=O)[nH]c1=O)Nc2ccccc2 27a_100000106764_100000185368 [0,0,0,0,1,0|2,0,0]=3 291 B17R2.5352 Cn1cc(c(=O)[nH]c1=O)Sc2ccccc2 62a_100000185368_100000041952 [0,0,0,0,1,0|2,0,0]=3 292 B17R2.5352 Cn1cc(c(=O)[nH]c1=O)Sc2ccccc2 62a_100000719477_100000185368 [0,0,0,0,1,0|2,0,0]=3 293 B17R2.5352 Cn1cc(c(=O)[nH]c1=O)Sc2ccccn2 62a_100000185368_100011216584 [0,0,0,0,1,0|3,0,0]=4 294 B17R2.5352 Cn1cc(c(=O)[nH]c1=O)Sc2ccccn2 62a_100011216584_100000185368 [0,0,0,0,1,0|3,0,0]=4 295 B17R2.5352 Cn1cc(c(=O)[nH]c1=O)Sc2cccnc2 62a_100000185368_100000210063 [0,0,0,0,1,0|3,0,0]=4 296 B17R2.5352 Cn1cc(c(=O)[nH]c1=O)Sc2cccnc2 62a_100000210063_100000185368 [0,0,0,0,1,0|3,0,0]=4 297 B17R2.5352 Cn1cc(c(=O)[nH]c1=O)Sc2ccncc2 62a_100000185368_100000728582 [0,0,0,0,1,0|3,0,0]=4 298 B17R2.5352 Cn1cc(c(=O)[nH]c1=O)Sc2ccncc2 62a_100000728582_100000185368 [0,0,0,0,1,0|3,0,0]=4 299 B17R2.42397 Cn1cc(c(=O)[nH]c1=O)NCc2ccco2 27a_100000185738_100000185368 [0,0,0,0,1,0|3,0,0]=4 300 B17R2.42397 Cn1cc(c(=O)[nH]c1=O)NCc2cccs2 27a_100000211653_100000185368 [0,0,0,0,1,0|3,0,0]=4 301 B17R2.42397 Cn1cc(c(=O)[nH]c1=O)NCc2ccoc2 27a_100015206860_100000185368 [0,0,0,0,1,0|3,0,0]=4 302 B17R2.42397 Cn1cc(c(=O)[nH]c1=O)NCc2ccsc2 27a_100000186416_100000185368 [0,0,0,0,1,0|3,0,0]=4 303 B17R2.42397 Cn1cc(c(=O)[nH]c1=O)SCc2ccsc2 62a_100000185368_100011233845 [0,0,0,0,1,0|3,0,0]=4 304 B17R2.42397 Cn1cc(c(=O)[nH]c1=O)SCc2ccsc2 62a_100011261437_100000185368 [0,0,0,0,1,0|3,0,0]=4 305 B19R2.7722 Cc1[nH]c(=O)c(cc1SCCc2ccccc2)N 62a_100000765856_100010126670 [0,0,0,0,0,1|3,0,0]=4 306 B19R2.7722 Cc1[nH]c(=O)c(cc1SCCc2ccccc2)N 62a_100010126670_100011218657 [0,0,0,0,0,1|3,0,0]=4 307 B19R2.7722 Cc1cc(c(=O)[nH]c1C)SCCc2ccccc2 62a_100000765856_100010064231 [0,0,0,0,0,1|3,0,0]=4 308 B19R2.7722 Cc1cc(c(=O)[nH]c1C)SCCc2ccccc2 62a_100010064231_100011218657 [0,0,0,0,0,1|3,0,0]=4 309 B19R2.7722 Cn1cc(c(=O)[nH]c1=O)C=CCc2ccccc2 271570a_200016263579_100000185368 [0,0,0,0,0,1|1,0,1]=3 310 B19R2.7722 Cn1cc(c(=O)[nH]c1=O)NCCc2ccccc2 27a_100000106460_100000185368 [0,0,0,0,0,1|1,0,0]=2 311 B19R2.7722 Cn1cc(c(=O)[nH]c1=O)NCCc2ccccn2 27a_100000211156_100000185368 [0,0,0,0,0,1|2,0,0]=3 312 B19R2.7722 Cn1cc(c(=O)[nH]c1=O)NCCc2cccnc2 27a_100000736294_100000185368 [0,0,0,0,0,1|2,0,0]=3 313 B19R2.7722 Cn1cc(c(=O)[nH]c1=O)NCCc2ccncc2 27a_100000742849_100000185368 [0,0,0,0,0,1|2,0,0]=3 314 B19R2.7722 Cn1cc(c(=O)[nH]c1=O)NCCc2cnccn2 27a_100000723456_100000185368 [0,0,0,0,0,1|3,0,0]=4 315 B19R2.7722 Cn1cc(c(=O)[nH]c1=O)SCCc2ccccc2 62a_100000185368_100011218657 [0,0,0,0,0,1|1,0,0]=2 316 B19R2.7722 Cn1cc(c(=O)[nH]c1=O)SCCc2ccccc2 62a_100000765856_100000185368 [0,0,0,0,0,1|1,0,0]=2 317 B19R2.7722 Cn1cc(c(=O)[nH]c1=O)SCCc2ccccn2 62a_100000185368_100015183660 [0,0,0,0,0,1|2,0,0]=3 318 B19R2.7722 Cn1cc(c(=O)[nH]c1=O)SCCc2ccccn2 62a_100015183660_100000185368 [0,0,0,0,0,1|2,0,0]=3 319 B19R2.7722 Cn1cc(c(=O)[nH]c1=O)SCCc2cccnc2 62a_100000185368_200011713674 [0,0,0,0,0,1|2,0,0]=3 320 B19R2.7722 Cn1cc(c(=O)[nH]c1=O)SCCc2cccnc2 62a_200011713674_100000185368 [0,0,0,0,0,1|2,0,0]=3 321 B19R2.7722 Cn1cc(c(=O)[nH]c1=O)SCCc2ccncc2 62a_100000185368_100000723409 [0,0,0,0,0,1|2,0,0]=3 322 B19R2.7722 Cn1cc(c(=O)[nH]c1=O)SCCc2ccncc2 62a_100000723409_100000185368 [0,0,0,0,0,1|2,0,0]=3 323 B19R2.7722 Cn1cc(c(=O)[nH]c1=O)SCSc2ccccc2 62a_100000185368_100011218342 [0,0,0,0,0,1|2,0,0]=3 324 B19R2.7722 Cn1cc(c(=O)[nH]c1=O)SCSc2ccccc2 62a_100011218342_100000185368 [0,0,0,0,0,1|2,0,0]=3 325 B16R1.4122 CN(CC(=O)CCc1ccccc1)C(=O)N 1458a_100000218718_100000765856 [1,0,1,0,0,0|1,0,1]=4 326 B16R2.132 O=c1ccc(c[nH]1)OCc2ccccc2 34a_100000075641_100015291786 [2,0,0,0,0,0|2,0,0]=4 327 B16R2.132 O=c1ccc(c[nH]1)SCc2ccccc2 62a_100000211182_100000212171 [2,0,0,0,0,0|2,0,0]=4 328 B16R2.132 O=c1ccc(c[nH]1)SCc2ccccc2 62a_100000212171_100015291786 [2,0,0,0,0,0|2,0,0]=4 329 B16R2.132 O=c1ncc(c[nH]1)SCc2ccccc2 62a_100000211182_102495366499 [2,0,0,0,0,0|1,0,1]=4 330 B16R2.132 O=c1ncc(c[nH]1)SCc2ccccc2 62a_102495366499_100015291786 [2,0,0,0,0,0|1,0,1]=4 331 B16R2.71 O=c1cc[nH]cc1SCc2ccccc2 62a_100000211182_100009998708 [2,0,0,0,0,0|2,0,0]=4 332 B16R2.71 O=c1cc[nH]cc1SCc2ccccc2 62a_100009998708_100015291786 [2,0,0,0,0,0|2,0,0]=4 333 B18R2.249 CC(Cc1c[nH]c(=O)c(c1)Br)c2ccccc2 271570a_100000062452_100010125443 [1,1,0,0,0,0|2,0,0]=4 334 B18R2.249 CC(Cc1c[nH]c(=O)c(c1)F)c2ccccc2 271570a_100000062452_100000723523 [1,1,0,0,0,0|2,0,0]=4 335 B18R2.249 CC(Cc1c[nH]c(=O)c(c1)O)c2ccccc2 271570a_100000062452_100009814561 [1,1,0,0,0,0|1,0,0]=3 336 B18R2.249 CC(Cc1ccc(=O)n(c1)C)c2ccccc2 271570a_100000062452_100011245003 [1,1,0,0,0,0|2,0,0]=4 337 B18R2.249 CC(Cc1cnc(=O)n(c1)C)c2ccccc2 271570a_100000062452_100009819886 [1,1,0,0,0,0|1,0,1]=4 338 B18R2.249 CC(Sc1c[nH]c(=O)c(c1)O)c2ccccc2 62a_100000230085_100009814561 [1,1,0,0,0,0|2,0,0]=4 339 B18R2.2686 COc1cc(c[nH]c1=O)SCc2ccccc2 62a_100000211182_100010125397 [1,1,0,0,0,0|2,0,0]=4 340 B18R2.9259 Cc1ccc(cc1)CSc2c[nH]c(=O)c(c2)O 62a_100000210814_100009814561 [1,1,0,0,0,0|2,0,0]=4 341 B18R2.9259 O=c1[nH]cc(cc1O)SCc2ccc(cc2)Br 62a_100000189115_100009814561 [1,1,0,0,0,0|2,0,0]=4 342 B18R2.9259 O=c1[nH]cc(cc1O)SCc2ccc(cc2)Cl 62a_100000187161_100009814561 [1,1,0,0,0,0|2,0,0]=4 343 B18R2.9259 O=c1[nH]cc(cc1O)SCc2ccc(cc2)F 62a_100000198546_100009814561 [1,1,0,0,0,0|2,0,0]=4 344 B18R2.9259 O=c1[nH]cc(cc1O)SCc2ccc(cc2)I 62a_100000189116_100009814561 [1,1,0,0,0,0|2,0,0]=4 345 B18R2.39765 Cc1ccccc1CSc2c[nH]c(=O)c(c2)O 62a_100000211839_100009814561 [1,1,0,0,0,0|2,0,0]=4 346 B18R2.39765 O=c1[nH]cc(cc1O)SCc2ccccc2Br 62a_100000184730_100009814561 [1,1,0,0,0,0|2,0,0]=4 347 B18R2.39765 O=c1[nH]cc(cc1O)SCc2ccccc2Cl 62a_100000187162_100009814561 [1,1,0,0,0,0|2,0,0]=4 348 B18R2.39765 O=c1[nH]cc(cc1O)SCc2ccccc2F 62a_100000211605_100009814561 [1,1,0,0,0,0|2,0,0]=4 349 B18R2.39765 O=c1[nH]cc(cc1O)SCc2ccccc2I 62a_100011216222_100009814561 [1,1,0,0,0,0|2,0,0]=4 350 B18R2.65908 Cc1cccc(c1)CSc2c[nH]c(=O)c(c2)O 62a_100000211840_100009814561 [1,1,0,0,0,0|2,0,0]=4 351 B18R2.65908 O=c1[nH]cc(cc1O)SCc2cccc(c2)Br 62a_100000211773_100009814561 [1,1,0,0,0,0|2,0,0]=4 352 B18R2.65908 O=c1[nH]cc(cc1O)SCc2cccc(c2)Cl 62a_100000187163_100009814561 [1,1,0,0,0,0|2,0,0]=4 353 B18R2.65908 O=c1[nH]cc(cc1O)SCc2cccc(c2)F 62a_100000230114_100009814561 [1,1,0,0,0,0|2,0,0]=4 354 B18R2.65908 O=c1[nH]cc(cc1O)SCc2cccc(c2)I 62a_100011218688_100009814561 [1,1,0,0,0,0|2,0,0]=4 355 B18R2.65908 O=c1[nH]cc(cc1O)SCc2cccc(c2)O 62a_100011660834_100009814561 [1,1,0,0,0,0|2,0,0]=4 356 B18R2.6540 CC(Cc1c[nH]c(=O)cc1F)c2ccccc2 271570a_100000062452_100015631685 [1,1,0,0,0,0|2,0,0]=4 357 B18R2.6540 CC(Cc1c[nH]c(=O)nc1N)c2ccccc2 271570a_100000062452_100000050048 [1,1,0,0,0,0|1,0,1]=4 358 B18R2.6540 CC(Cc1ccc(=O)[nH]c1N)c2ccccc2 271570a_100000062452_100009884077 [1,1,0,0,0,0|2,0,0]=4 359 B18R2.6540 CC(Cc1cnc([nH]c1=O)N)c2ccccc2 271570a_100000062452_100012456729 [1,1,0,0,0,0|1,0,1]=4 360 B18R2.6540 CC(Cc1cnc([nH]c1=O)O)c2ccccc2 271570a_100000062452_100011215686 [1,1,0,0,0,0|0,0,2]=4 361 B18R2.6540 CC(Cc1n[nH]c(=O)[nH]c1=O)c2ccccc2 271570a_100000062452_100000181694 [1,1,0,0,0,0|1,0,0]=3 362 B18R2.6540 CC(Sc1n[nH]c(=O)[nH]c1=O)c2ccccc2 62a_100000230085_100000181694 [1,1,0,0,0,0|2,0,0]=4 363 B18R2.6540 CN(Cc1c[nH]c(=O)[nH]c1=O)c2ccccc2 2230a_100000210012_100000035367 [1,1,0,0,0,0|1,0,0]=3 364 B18R2.6540 CN(Cc1c[nH]c(=O)[nH]c1=O)c2ccccc2 269982a_100000210012_100000035367 [1,1,0,0,0,0|1,0,0]=3 365 B18R2.6540 C[C@@H](Nc1n[nH]c(=O)[nH]c1=O)c2ccccc2 27a_100000751104_100000181694 [1,1,0,0,0,0|2,0,0]=4 366 B18R2.6540 Cc1ncc(c(=O)[nH]1)CC(C)c2ccccc2 271570a_100000062452_100011999157 [1,1,0,0,0,0|1,0,1]=4 367 B18R2.6540 O=C(Cc1c[nH]c(=O)[nH]c1=O)c2ccccc2 1458a_100000185807_100000035367 [1,1,0,0,0,0|0,0,1]=3 368 B18R2.6543 CN(Cc1ccccc1)c2n[nH]c(=O)[nH]c2=O 27a_100000186898_100000181694 [1,1,0,0,0,0|2,0,0]=4 369 B18R2.9252 Cc1ccc(cc1)CNc2n[nH]c(=O)[nH]c2=O 27a_100000174908_100000181694 [1,1,0,0,0,0|2,0,0]=4 370 B18R2.9252 Cc1ccc(cc1)CSc2n[nH]c(=O)[nH]c2=O 62a_100000210814_100000181694 [1,1,0,0,0,0|2,0,0]=4 371 B18R2.9252 Cc1ccc(cc1)OCc2c[nH]c(=O)[nH]c2=O 7a_100000210336_100000035367 [1,1,0,0,0,0|1,0,0]=3 372 B18R2.9252 Cc1ccc(cc1)SCc2c[nH]c(=O)[nH]c2=O 62a_100000186775_100000035367 [1,1,0,0,0,0|1,0,0]=3 373 B18R2.9252 Cc1ccc(cn1)OCc2c[nH]c(=O)[nH]c2=O 7a_100000745506_100000035367 [1,1,0,0,0,0|2,0,0]=4 374 B18R2.9252 Cc1ccc(cn1)SCc2c[nH]c(=O)[nH]c2=O 62a_100000751577_100000035367 [1,1,0,0,0,0|2,0,0]=4 375 B18R2.9252 Cc1ccc(nc1)SCc2c[nH]c(=O)[nH]c2=O 62a_100011192072_100000035367 [1,1,0,0,0,0|2,0,0]=4 376 B18R2.9252 Nc1ccc(cc1)SCc2c[nH]c(=O)[nH]c2=O 62a_100000185761_100000035367 [1,1,0,0,0,0|1,0,0]=3 377 B18R2.9252 Nc1ccc(cn1)OCc2c[nH]c(=O)[nH]c2=O 7a_100015188713_100000035367 [1,1,0,0,0,0|2,0,0]=4 378 B18R2.9252 Nc1ccc(cn1)SCc2c[nH]c(=O)[nH]c2=O 62a_100000187370_100000035367 [1,1,0,0,0,0|2,0,0]=4 379 B18R2.9252 Nc1ccc(nc1)SCc2c[nH]c(=O)[nH]c2=O 62a_100000737798_100000035367 [1,1,0,0,0,0|2,0,0]=4 380 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)CNc2ccc(cc2)Br 2230a_100000210018_100000035367 [1,1,0,0,0,0|1,0,0]=3 381 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)CNc2ccc(cc2)Cl 2230a_100000210052_100000035367 [1,1,0,0,0,0|1,0,0]=3 382 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)COc2ccc(cc2)Br 7a_100000185759_100000035367 [1,1,0,0,0,0|1,0,0]=3 383 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)COc2ccc(cc2)Cl 7a_100000210216_100000035367 [1,1,0,0,0,0|1,0,0]=3 384 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)COc2ccc(cc2)I 7a_100000212066_100000035367 [1,1,0,0,0,0|1,0,0]=3 385 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)COc2ccc(nc2)Br 7a_100000685995_100000035367 [1,1,0,0,0,0|2,0,0]=4 386 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)COc2ccc(nc2)Cl 7a_100000744096_100000035367 [1,1,0,0,0,0|2,0,0]=4 387 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)COc2ccc(nc2)F 7a_100000688820_100000035367 [1,1,0,0,0,0|2,0,0]=4 388 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)COc2ccc(nc2)I 7a_100000687607_100000035367 [1,1,0,0,0,0|2,0,0]=4 389 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)CSc2ccc(cc2)Br 62a_100000752885_100000035367 [1,1,0,0,0,0|1,0,0]=3 390 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)CSc2ccc(cc2)Cl 62a_100000755918_100000035367 [1,1,0,0,0,0|1,0,0]=3 391 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)CSc2ccc(cc2)F 62a_100000211213_100000035367 [1,1,0,0,0,0|1,0,0]=3 392 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)CSc2ccc(cn2)Br 62a_100000686858_100000035367 [1,1,0,0,0,0|2,0,0]=4 393 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)CSc2ccc(cn2)Cl 62a_100011356976_100000035367 [1,1,0,0,0,0|2,0,0]=4 394 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)CSc2ccc(cn2)F 62a_100000744514_100000035367 [1,1,0,0,0,0|2,0,0]=4 395 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)CSc2ccc(cn2)O 62a_100000685995_100000035367 [1,1,0,0,0,0|2,0,0]=4 396 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)CSc2ccc(nc2)Br 62a_100009814638_100000035367 [1,1,0,0,0,0|2,0,0]=4 397 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)CSc2ccc(nc2)Cl 62a_100000034144_100000035367 [1,1,0,0,0,0|2,0,0]=4 398 B18R2.9252 O=c1[nH]cc(c(=O)[nH]1)CSc2ccc(nc2)F 62a_100000042367_100000035367 [1,1,0,0,0,0|2,0,0]=4 399 B18R2.9252 O=c1[nH]nc(c(=O)[nH]1)NCc2ccc(cc2)Br 27a_100000174875_100000181694 [1,1,0,0,0,0|2,0,0]=4 400 B18R2.9252 O=c1[nH]nc(c(=O)[nH]1)NCc2ccc(cc2)Cl 27a_100000174871_100000181694 [1,1,0,0,0,0|2,0,0]=4 401 B18R2.9252 O=c1[nH]nc(c(=O)[nH]1)NCc2ccc(cc2)F 27a_100000174882_100000181694 [1,1,0,0,0,0|2,0,0]=4 402 B18R2.9252 O=c1[nH]nc(c(=O)[nH]1)NCc2ccc(cc2)I 27a_100016989417_100000181694 [1,1,0,0,0,0|2,0,0]=4 403 B18R2.9252 O=c1[nH]nc(c(=O)[nH]1)NCc2ccc(cc2)O 27a_100000185549_100000181694 [1,1,0,0,0,0|2,0,0]=4 404 B18R2.9252 O=c1[nH]nc(c(=O)[nH]1)SCc2ccc(cc2)Br 62a_100000189115_100000181694 [1,1,0,0,0,0|2,0,0]=4 405 B18R2.9252 O=c1[nH]nc(c(=O)[nH]1)SCc2ccc(cc2)Cl 62a_100000187161_100000181694 [1,1,0,0,0,0|2,0,0]=4 406 B18R2.9252 O=c1[nH]nc(c(=O)[nH]1)SCc2ccc(cc2)F 62a_100000198546_100000181694 [1,1,0,0,0,0|2,0,0]=4 407 B18R2.9252 O=c1[nH]nc(c(=O)[nH]1)SCc2ccc(cc2)I 62a_100000189116_100000181694 [1,1,0,0,0,0|2,0,0]=4 408 B18R2.9252 O=c1ccc(c[nH]1)SCc2c[nH]c(=O)[nH]c2=O 62a_100000212171_100000035367 [1,1,0,0,0,0|2,0,0]=4 409 B18R2.33281 Cc1ccccc1CNc2n[nH]c(=O)[nH]c2=O 27a_100000174972_100000181694 [1,1,0,0,0,0|2,0,0]=4 410 B18R2.33281 Cc1ccccc1CSc2n[nH]c(=O)[nH]c2=O 62a_100000211839_100000181694 [1,1,0,0,0,0|2,0,0]=4 411 B18R2.33281 Cc1ccccc1OCc2c[nH]c(=O)[nH]c2=O 7a_100000210338_100000035367 [1,1,0,0,0,0|1,0,0]=3 412 B18R2.33281 Cc1ccccc1SCc2c[nH]c(=O)[nH]c2=O 62a_100000210755_100000035367 [1,1,0,0,0,0|1,0,0]=3 413 B18R2.33281 Cc1cccnc1SCc2c[nH]c(=O)[nH]c2=O 62a_100000751373_100000035367 [1,1,0,0,0,0|2,0,0]=4 414 B18R2.33281 Cc1ccncc1OCc2c[nH]c(=O)[nH]c2=O 7a_100011997053_100000035367 [1,1,0,0,0,0|2,0,0]=4 415 B18R2.33281 Cc1ccncc1SCc2c[nH]c(=O)[nH]c2=O 62a_100000761580_100000035367 [1,1,0,0,0,0|2,0,0]=4 416 B18R2.33281 Cc1cnccc1SCc2c[nH]c(=O)[nH]c2=O 62a_100000765111_100000035367 [1,1,0,0,0,0|2,0,0]=4 417 B18R2.33281 Cc1ncccc1OCc2c[nH]c(=O)[nH]c2=O 7a_100000745507_100000035367 [1,1,0,0,0,0|2,0,0]=4 418 B18R2.33281 Cc1ncccc1SCc2c[nH]c(=O)[nH]c2=O 62a_100000751574_100000035367 [1,1,0,0,0,0|2,0,0]=4 419 B18R2.33281 Nc1ccccc1OCc2c[nH]c(=O)[nH]c2=O 7a_100000185747_100000035367 [1,1,0,0,0,0|1,0,0]=3 420 B18R2.33281 Nc1ccccc1SCc2c[nH]c(=O)[nH]c2=O 62a_100000210017_100000035367 [1,1,0,0,0,0|1,0,0]=3 421 B18R2.33281 Nc1cccnc1SCc2c[nH]c(=O)[nH]c2=O 62a_100000688686_100000035367 [1,1,0,0,0,0|2,0,0]=4 422 B18R2.33281 Nc1ccncc1SCc2c[nH]c(=O)[nH]c2=O 62a_100000047001_100000035367 [1,1,0,0,0,0|2,0,0]=4 423 B18R2.33281 Nc1cnccc1SCc2c[nH]c(=O)[nH]c2=O 62a_100000756074_100000035367 [1,1,0,0,0,0|2,0,0]=4 424 B18R2.33281 Nc1ncccc1OCc2c[nH]c(=O)[nH]c2=O 7a_100000211975_100000035367 [1,1,0,0,0,0|2,0,0]=4 425 B18R2.33281 Nc1ncccc1SCc2c[nH]c(=O)[nH]c2=O 62a_100000045569_100000035367 [1,1,0,0,0,0|2,0,0]=4 426 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)COc2cccc[n+]2[O-] 7a_100000211761_100000035367 [1,1,0,0,0,0|2,0,0]=4 427 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)COc2ccccc2Br 7a_100000181306_100000035367 [1,1,0,0,0,0|1,0,0]=3 428 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)COc2ccccc2Cl 7a_100000210172_100000035367 [1,1,0,0,0,0|1,0,0]=3 429 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)COc2ccccc2F 7a_100000210171_100000035367 [1,1,0,0,0,0|1,0,0]=3 430 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)COc2ccccc2I 7a_100000739446_100000035367 [1,1,0,0,0,0|1,0,0]=3 431 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)COc2cccnc2Br 7a_100000744436_100000035367 [1,1,0,0,0,0|2,0,0]=4 432 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)COc2cccnc2Cl 7a_100000757616_100000035367 [1,1,0,0,0,0|2,0,0]=4 433 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)COc2cccnc2F 7a_100000061740_100000035367 [1,1,0,0,0,0|2,0,0]=4 434 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)COc2cccnc2I 7a_100000034122_100000035367 [1,1,0,0,0,0|2,0,0]=4 435 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)COc2cccoc2=O 7a_100000077404_100000035367 [1,1,0,0,0,0|2,0,0]=4 436 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2c[nH]ccc2=O 62a_100009998708_100000035367 [1,1,0,0,0,0|2,0,0]=4 437 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2c[nH]ccc2=S 62a_200012280681_100000035367 [1,1,0,0,0,0|2,0,0]=4 438 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2ccccc2Br 62a_100000695589_100000035367 [1,1,0,0,0,0|1,0,0]=3 439 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2ccccc2Cl 62a_100000764095_100000035367 [1,1,0,0,0,0|1,0,0]=3 440 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2ccccc2F 62a_100011215700_100000035367 [1,1,0,0,0,0|1,0,0]=3 441 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2ccccc2O 62a_100000739446_100000035367 [1,1,0,0,0,0|1,0,0]=3 442 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2cccnc2Br 62a_100010202626_100000035367 [1,1,0,0,0,0|2,0,0]=4 443 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2cccnc2Cl 62a_100000036424_100000035367 [1,1,0,0,0,0|2,0,0]=4 444 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2cccnc2F 62a_100009816115_100000035367 [1,1,0,0,0,0|2,0,0]=4 445 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2cccnc2O 62a_100000760158_100000035367 [1,1,0,0,0,0|2,0,0]=4 446 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2ccncc2Br 62a_100000726257_100000035367 [1,1,0,0,0,0|2,0,0]=4 447 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2ccncc2Cl 62a_100000708259_100000035367 [1,1,0,0,0,0|2,0,0]=4 448 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2ccncc2F 62a_100000047030_100000035367 [1,1,0,0,0,0|2,0,0]=4 449 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2ccncc2O 62a_100009817591_100000035367 [1,1,0,0,0,0|2,0,0]=4 450 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2cnccc2Br 62a_100010138639_100000035367 [1,1,0,0,0,0|2,0,0]=4 451 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2cnccc2Cl 62a_100009995489_100000035367 [1,1,0,0,0,0|2,0,0]=4 452 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2cnccc2F 62a_100009820683_100000035367 [1,1,0,0,0,0|2,0,0]=4 453 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2ncccc2Br 62a_100000696092_100000035367 [1,1,0,0,0,0|2,0,0]=4 454 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2ncccc2Cl 62a_100011356963_100000035367 [1,1,0,0,0,0|2,0,0]=4 455 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2ncccc2F 62a_100000685392_100000035367 [1,1,0,0,0,0|2,0,0]=4 456 B18R2.33281 O=c1[nH]cc(c(=O)[nH]1)CSc2ncccc2O 62a_100000034122_100000035367 [1,1,0,0,0,0|2,0,0]=4 457 B18R2.33281 O=c1[nH]nc(c(=O)[nH]1)NCc2ccccc2Br 27a_100000689332_100000181694 [1,1,0,0,0,0|2,0,0]=4 458 B18R2.33281 O=c1[nH]nc(c(=O)[nH]1)NCc2ccccc2Cl 27a_100000174879_100000181694 [1,1,0,0,0,0|2,0,0]=4 459 B18R2.33281 O=c1[nH]nc(c(=O)[nH]1)NCc2ccccc2F 27a_100000174869_100000181694 [1,1,0,0,0,0|2,0,0]=4 460 B18R2.33281 O=c1[nH]nc(c(=O)[nH]1)NCc2ccccc2I 27a_100015347259_100000181694 [1,1,0,0,0,0|2,0,0]=4 461 B18R2.33281 O=c1[nH]nc(c(=O)[nH]1)NCc2ccccc2O 27a_100000185550_100000181694 [1,1,0,0,0,0|2,0,0]=4 462 B18R2.33281 O=c1[nH]nc(c(=O)[nH]1)SCc2ccccc2Br 62a_100000184730_100000181694 [1,1,0,0,0,0|2,0,0]=4 463 B18R2.33281 O=c1[nH]nc(c(=O)[nH]1)SCc2ccccc2Cl 62a_100000187162_100000181694 [1,1,0,0,0,0|2,0,0]=4 464 B18R2.33281 O=c1[nH]nc(c(=O)[nH]1)SCc2ccccc2F 62a_100000211605_100000181694 [1,1,0,0,0,0|2,0,0]=4 465 B18R2.33281 O=c1[nH]nc(c(=O)[nH]1)SCc2ccccc2I 62a_100011216222_100000181694 [1,1,0,0,0,0|2,0,0]=4 466 B18R2.38168 Nc1[nH]c(=O)[nH]c(=O)c1SCc2ccccc2 62a_100000211182_100009998185 [1,1,0,0,0,0|1,0,0]=3 467 B18R2.38168 Nc1[nH]c(=O)[nH]c(=O)c1SCc2ccccn2 62a_100000721315_100009998185 [1,1,0,0,0,0|2,0,0]=4 468 B18R2.38168 Nc1[nH]c(=O)[nH]c(=O)c1SCc2cccnc2 62a_100000741622_100009998185 [1,1,0,0,0,0|2,0,0]=4 469 B18R2.38168 Nc1[nH]c(=O)[nH]c(=O)c1SCc2ccncc2 62a_100015193705_100009998185 [1,1,0,0,0,0|2,0,0]=4 470 B18R2.38168 O=C1NC(=O)C(=NNc2ccccc2)C(=O)N1 4a_100015195140_100000211923 [1,1,0,0,0,0|2,0,0]=4 471 B18R2.65901 C[n+]1cccc(c1)SCc2c[nH]c(=O)[nH]c2=O 62a_100009996589_100000035367 [1,1,0,0,0,0|2,0,0]=4 472 B18R2.65901 Cc1cc(ccn1)SCc2c[nH]c(=O)[nH]c2=O 62a_100000758586_100000035367 [1,1,0,0,0,0|2,0,0]=4 473 B18R2.65901 Cc1cccc(c1)CNc2n[nH]c(=O)[nH]c2=O 27a_100000185548_100000181694 [1,1,0,0,0,0|2,0,0]=4 474 B18R2.65901 Cc1cccc(c1)CSc2n[nH]c(=O)[nH]c2=O 62a_100000211840_100000181694 [1,1,0,0,0,0|2,0,0]=4 475 B18R2.65901 Cc1cccc(c1)NCc2c[nH]c(=O)[nH]c2=O 2230a_100000188690_100000035367 [1,1,0,0,0,0|1,0,0]=3 476 B18R2.65901 Cc1cccc(c1)OCc2c[nH]c(=O)[nH]c2=O 7a_100000210337_100000035367 [1,1,0,0,0,0|1,0,0]=3 477 B18R2.65901 Cc1cccc(c1)SCc2c[nH]c(=O)[nH]c2=O 62a_100011215228_100000035367 [1,1,0,0,0,0|1,0,0]=3 478 B18R2.65901 Cc1cccc(n1)SCc2c[nH]c(=O)[nH]c2=O 62a_100000742759_100000035367 [1,1,0,0,0,0|2,0,0]=4 479 B18R2.65901 Cc1ccnc(c1)SCc2c[nH]c(=O)[nH]c2=O 62a_100000750283_100000035367 [1,1,0,0,0,0|2,0,0]=4 480 B18R2.65901 Cc1cncc(c1)OCc2c[nH]c(=O)[nH]c2=O 7a_100011830280_100000035367 [1,1,0,0,0,0|2,0,0]=4 481 B18R2.65901 Cc1cncc(c1)SCc2c[nH]c(=O)[nH]c2=O 62a_100000760492_100000035367 [1,1,0,0,0,0|2,0,0]=4 482 B18R2.65901 Nc1cc(ccn1)SCc2c[nH]c(=O)[nH]c2=O 62a_100000049665_100000035367 [1,1,0,0,0,0|2,0,0]=4 483 B18R2.65901 Nc1cccc(c1)SCc2c[nH]c(=O)[nH]c2=O 62a_100000210019_100000035367 [1,1,0,0,0,0|1,0,0]=3 484 B18R2.65901 Nc1cccc(n1)SCc2c[nH]c(=O)[nH]c2=O 62a_100000740741_100000035367 [1,1,0,0,0,0|2,0,0]=4 485 B18R2.65901 Nc1ccnc(c1)SCc2c[nH]c(=O)[nH]c2=O 62a_100009814236_100000035367 [1,1,0,0,0,0|2,0,0]=4 486 B18R2.65901 Nc1cncc(c1)SCc2c[nH]c(=O)[nH]c2=O 62a_100000687067_100000035367 [1,1,0,0,0,0|2,0,0]=4 487 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)COc2ccc[n+](c2)[O-] 7a_100000039713_100000035367 [1,1,0,0,0,0|2,0,0]=4 488 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)COc2cccc(c2)Br 7a_100000210342_100000035367 [1,1,0,0,0,0|1,0,0]=3 489 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)COc2cccc(c2)Cl 7a_100000210295_100000035367 [1,1,0,0,0,0|1,0,0]=3 490 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)COc2cccc(c2)F 7a_100000210426_100000035367 [1,1,0,0,0,0|1,0,0]=3 491 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)COc2cccc(c2)I 7a_100000211634_100000035367 [1,1,0,0,0,0|1,0,0]=3 492 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)COc2cncc(c2)Br 7a_100000754920_100000035367 [1,1,0,0,0,0|2,0,0]=4 493 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)COc2cncc(c2)Cl 7a_100000032511_100000035367 [1,1,0,0,0,0|2,0,0]=4 494 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)COc2cncc(c2)F 7a_100011830296_100000035367 [1,1,0,0,0,0|2,0,0]=4 495 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)CSc2cc(ccn2)Cl 62a_100010167805_100000035367 [1,1,0,0,0,0|2,0,0]=4 496 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)CSc2cc(ccn2)F 62a_100000764206_100000035367 [1,1,0,0,0,0|2,0,0]=4 497 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)CSc2cccc(c2)Br 62a_100000691529_100000035367 [1,1,0,0,0,0|1,0,0]=3 498 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)CSc2cccc(c2)Cl 62a_100000699651_100000035367 [1,1,0,0,0,0|1,0,0]=3 499 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)CSc2cccc(c2)F 62a_100000685547_100000035367 [1,1,0,0,0,0|1,0,0]=3 500 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)CSc2cccc(c2)[S] 62a_114929384022_100000035367 [1,1,0,0,0,0|1,0,0]=3 501 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)CSc2cccc(n2)Br 62a_100000684672_100000035367 [1,1,0,0,0,0|2,0,0]=4 502 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)CSc2cccc(n2)Cl 62a_100000051397_100000035367 [1,1,0,0,0,0|2,0,0]=4 503 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)CSc2cccc(n2)F 62a_100009815982_100000035367 [1,1,0,0,0,0|2,0,0]=4 504 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)CSc2ccnc(c2)Br 62a_100009814637_100000035367 [1,1,0,0,0,0|2,0,0]=4 505 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)CSc2ccnc(c2)Cl 62a_100000035001_100000035367 [1,1,0,0,0,0|2,0,0]=4 506 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)CSc2ccnc(c2)F 62a_100009816116_100000035367 [1,1,0,0,0,0|2,0,0]=4 507 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)CSc2cncc(c2)Br 62a_100000728054_100000035367 [1,1,0,0,0,0|2,0,0]=4 508 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)CSc2cncc(c2)Cl 62a_100000049639_100000035367 [1,1,0,0,0,0|2,0,0]=4 509 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)CSc2cncc(c2)F 62a_100000744099_100000035367 [1,1,0,0,0,0|2,0,0]=4 510 B18R2.65901 O=c1[nH]cc(c(=O)[nH]1)CSc2cncc(c2)O 62a_100000754920_100000035367 [1,1,0,0,0,0|2,0,0]=4 511 B18R2.65901 O=c1[nH]nc(c(=O)[nH]1)NCc2cccc(c2)Br 27a_100000174977_100000181694 [1,1,0,0,0,0|2,0,0]=4 512 B18R2.65901 O=c1[nH]nc(c(=O)[nH]1)NCc2cccc(c2)Cl 27a_100000174878_100000181694 [1,1,0,0,0,0|2,0,0]=4 513 B18R2.65901 O=c1[nH]nc(c(=O)[nH]1)NCc2cccc(c2)F 27a_100000174948_100000181694 [1,1,0,0,0,0|2,0,0]=4 514 B18R2.65901 O=c1[nH]nc(c(=O)[nH]1)NCc2cccc(c2)I 27a_100000106179_100000181694 [1,1,0,0,0,0|2,0,0]=4 515 B18R2.65901 O=c1[nH]nc(c(=O)[nH]1)NCc2cccc(c2)O 27a_100000743036_100000181694 [1,1,0,0,0,0|2,0,0]=4 516 B18R2.65901 O=c1[nH]nc(c(=O)[nH]1)SCc2cccc(c2)Br 62a_100000211773_100000181694 [1,1,0,0,0,0|2,0,0]=4 517 B18R2.65901 O=c1[nH]nc(c(=O)[nH]1)SCc2cccc(c2)Cl 62a_100000187163_100000181694 [1,1,0,0,0,0|2,0,0]=4 518 B18R2.65901 O=c1[nH]nc(c(=O)[nH]1)SCc2cccc(c2)F 62a_100000230114_100000181694 [1,1,0,0,0,0|2,0,0]=4 519 B18R2.65901 O=c1[nH]nc(c(=O)[nH]1)SCc2cccc(c2)I 62a_100011218688_100000181694 [1,1,0,0,0,0|2,0,0]=4 520 B18R2.65901 O=c1[nH]nc(c(=O)[nH]1)SCc2cccc(c2)O 62a_100011660834_100000181694 [1,1,0,0,0,0|2,0,0]=4 521 B18R2.65901 O=c1cc(cc[nH]1)SCc2c[nH]c(=O)[nH]c2=O 62a_100009816521_100000035367 [1,1,0,0,0,0|2,0,0]=4 522 B18R2.65901 O=c1cc[nH]c(c1)SCc2c[nH]c(=O)[nH]c2=O 62a_100009817434_100000035367 [1,1,0,0,0,0|2,0,0]=4 523 B18R2.6539 CC(Cc1cc(c[nH]c1=O)F)c2ccccc2 271570a_100000062452_100009817720 [1,1,0,0,0,0|2,0,0]=4 524 B18R2.6539 CC(Cc1cn(ccc1=O)C)c2ccccc2 271570a_100000062452_100010750718 [1,1,0,0,0,0|2,0,0]=4 525 B18R2.2466 Cn1cc(c(=O)n(c1=O)C)Sc2ccccc2 62a_100000719477_100011218054 [0,1,0,0,1,0|2,0,0]=4 526 B18R2.2466 Cn1cc(c(=O)n(c1=O)C)Sc2ccccc2 62a_100011218054_100000041952 [0,1,0,0,1,0|2,0,0]=4 527 B18R2.6529 C=C(c1ccccc1)c2cn(c(=O)[nH]c2=O)C 271570a_100000068269_100000185368 [0,1,0,0,1,0|1,0,1]=4 528 B18R2.29863 Cc1ccc(cc1)Nc2cn(c(=O)[nH]c2=O)C 27a_100000124888_100000185368 [0,1,0,0,1,0|2,0,0]=4 529 B18R2.29863 Cc1ccc(cc1)Sc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000186775 [0,1,0,0,1,0|2,0,0]=4 530 B18R2.29863 Cc1ccc(cc1)Sc2cn(c(=O)[nH]c2=O)C 62a_100000186775_100000185368 [0,1,0,0,1,0|2,0,0]=4 531 B18R2.29863 Cn1cc(c(=O)[nH]c1=O)Nc2ccc(cc2)Br 27a_100000210018_100000185368 [0,1,0,0,1,0|2,0,0]=4 532 B18R2.29863 Cn1cc(c(=O)[nH]c1=O)Nc2ccc(cc2)Cl 27a_100000210052_100000185368 [0,1,0,0,1,0|2,0,0]=4 533 B18R2.29863 Cn1cc(c(=O)[nH]c1=O)Nc2ccc(cc2)F 27a_100000185862_100000185368 [0,1,0,0,1,0|2,0,0]=4 534 B18R2.29863 Cn1cc(c(=O)[nH]c1=O)Nc2ccc(cc2)I 27a_100000185761_100000185368 [0,1,0,0,1,0|2,0,0]=4 535 B18R2.29863 Cn1cc(c(=O)[nH]c1=O)Nc2ccc(cc2)O 27a_100000185829_100000185368 [0,1,0,0,1,0|2,0,0]=4 536 B18R2.29863 Cn1cc(c(=O)[nH]c1=O)Sc2ccc(cc2)Br 62a_100000185368_100000752885 [0,1,0,0,1,0|2,0,0]=4 537 B18R2.29863 Cn1cc(c(=O)[nH]c1=O)Sc2ccc(cc2)Br 62a_100000752885_100000185368 [0,1,0,0,1,0|2,0,0]=4 538 B18R2.29863 Cn1cc(c(=O)[nH]c1=O)Sc2ccc(cc2)Cl 62a_100000185368_100000755918 [0,1,0,0,1,0|2,0,0]=4 539 B18R2.29863 Cn1cc(c(=O)[nH]c1=O)Sc2ccc(cc2)Cl 62a_100000755918_100000185368 [0,1,0,0,1,0|2,0,0]=4 540 B18R2.29863 Cn1cc(c(=O)[nH]c1=O)Sc2ccc(cc2)F 62a_100000185368_100000211213 [0,1,0,0,1,0|2,0,0]=4 541 B18R2.29863 Cn1cc(c(=O)[nH]c1=O)Sc2ccc(cc2)F 62a_100000211213_100000185368 [0,1,0,0,1,0|2,0,0]=4 542 B18R2.29863 Cn1cc(c(=O)[nH]c1=O)Sc2ccc(cc2)N 62a_100000185368_100000185761 [0,1,0,0,1,0|2,0,0]=4 543 B18R2.29863 Cn1cc(c(=O)[nH]c1=O)Sc2ccc(cc2)N 62a_100000185761_100000185368 [0,1,0,0,1,0|2,0,0]=4 544 B18R2.29863 Cn1cc(c(=O)[nH]c1=O)Sc2ccc(cc2)O 62a_100000185368_100000185759 [0,1,0,0,1,0|2,0,0]=4 545 B18R2.31075 Cc1cccc(c1)Nc2cn(c(=O)[nH]c2=O)C 27a_100000188690_100000185368 [0,1,0,0,1,0|2,0,0]=4 546 B18R2.31075 Cc1cccc(c1)Sc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100011215228 [0,1,0,0,1,0|2,0,0]=4 547 B18R2.31075 Cc1cccc(c1)Sc2cn(c(=O)[nH]c2=O)C 62a_100011215228_100000185368 [0,1,0,0,1,0|2,0,0]=4 548 B18R2.31075 Cn1cc(c(=O)[nH]c1=O)Nc2cccc(c2)Br 27a_100000210019_100000185368 [0,1,0,0,1,0|2,0,0]=4 549 B18R2.31075 Cn1cc(c(=O)[nH]c1=O)Nc2cccc(c2)Cl 27a_100000185859_100000185368 [0,1,0,0,1,0|2,0,0]=4 550 B18R2.31075 Cn1cc(c(=O)[nH]c1=O)Nc2cccc(c2)F 27a_100000210047_100000185368 [0,1,0,0,1,0|2,0,0]=4 551 B18R2.31075 Cn1cc(c(=O)[nH]c1=O)Nc2cccc(c2)I 27a_100000211102_100000185368 [0,1,0,0,1,0|2,0,0]=4 552 B18R2.31075 Cn1cc(c(=O)[nH]c1=O)Nc2cccc(c2)O 27a_100000210217_100000185368 [0,1,0,0,1,0|2,0,0]=4 553 B18R2.31075 Cn1cc(c(=O)[nH]c1=O)Sc2cccc(c2)Br 62a_100000185368_100000691529 [0,1,0,0,1,0|2,0,0]=4 554 B18R2.31075 Cn1cc(c(=O)[nH]c1=O)Sc2cccc(c2)Br 62a_100000691529_100000185368 [0,1,0,0,1,0|2,0,0]=4 555 B18R2.31075 Cn1cc(c(=O)[nH]c1=O)Sc2cccc(c2)Cl 62a_100000185368_100000699651 [0,1,0,0,1,0|2,0,0]=4 556 B18R2.31075 Cn1cc(c(=O)[nH]c1=O)Sc2cccc(c2)Cl 62a_100000699651_100000185368 [0,1,0,0,1,0|2,0,0]=4 557 B18R2.31075 Cn1cc(c(=O)[nH]c1=O)Sc2cccc(c2)F 62a_100000185368_100000685547 [0,1,0,0,1,0|2,0,0]=4 558 B18R2.31075 Cn1cc(c(=O)[nH]c1=O)Sc2cccc(c2)F 62a_100000685547_100000185368 [0,1,0,0,1,0|2,0,0]=4 559 B18R2.31075 Cn1cc(c(=O)[nH]c1=O)Sc2cccc(c2)N 62a_100000185368_100000210019 [0,1,0,0,1,0|2,0,0]=4 560 B18R2.31075 Cn1cc(c(=O)[nH]c1=O)Sc2cccc(c2)N 62a_100000210019_100000185368 [0,1,0,0,1,0|2,0,0]=4 561 B18R2.31075 Cn1cc(c(=O)[nH]c1=O)Sc2cccc(c2)O 62a_100000185368_100000211634 [0,1,0,0,1,0|2,0,0]=4 562 B18R2.31075 Cn1cc(c(=O)[nH]c1=O)Sc2cccc(c2)[S] 62a_100000185368_114929384022 [0,1,0,0,1,0|2,0,0]=4 563 B18R2.31075 Cn1cc(c(=O)[nH]c1=O)Sc2cccc(c2)[S] 62a_114929384022_100000185368 [0,1,0,0,1,0|2,0,0]=4 564 B18R2.38151 Cn1c(c(c(=O)[nH]c1=O)Sc2ccccc2)N 62a_100000184672_100000041952 [0,1,0,0,1,0|2,0,0]=4 565 B18R2.38151 Cn1c(c(c(=O)[nH]c1=O)Sc2ccccc2)N 62a_100000719477_100000184672 [0,1,0,0,1,0|2,0,0]=4 566 B18R2.39530 Cc1ccccc1Nc2cn(c(=O)[nH]c2=O)C 27a_100015192222_100000185368 [0,1,0,0,1,0|2,0,0]=4 567 B18R2.39530 Cc1ccccc1Sc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000210755 [0,1,0,0,1,0|2,0,0]=4 568 B18R2.39530 Cc1ccccc1Sc2cn(c(=O)[nH]c2=O)C 62a_100000210755_100000185368 [0,1,0,0,1,0|2,0,0]=4 569 B18R2.39530 Cn1cc(c(=O)[nH]c1=O)Nc2ccccc2Cl 27a_100000185783_100000185368 [0,1,0,0,1,0|2,0,0]=4 570 B18R2.39530 Cn1cc(c(=O)[nH]c1=O)Nc2ccccc2F 27a_100000210422_100000185368 [0,1,0,0,1,0|2,0,0]=4 571 B18R2.39530 Cn1cc(c(=O)[nH]c1=O)Nc2ccccc2I 27a_100000210053_100000185368 [0,1,0,0,1,0|2,0,0]=4 572 B18R2.39530 Cn1cc(c(=O)[nH]c1=O)Nc2ccccc2O 27a_100000185747_100000185368 [0,1,0,0,1,0|2,0,0]=4 573 B18R2.39530 Cn1cc(c(=O)[nH]c1=O)Sc2ccccc2Br 62a_100000185368_100000695589 [0,1,0,0,1,0|2,0,0]=4 574 B18R2.39530 Cn1cc(c(=O)[nH]c1=O)Sc2ccccc2Br 62a_100000695589_100000185368 [0,1,0,0,1,0|2,0,0]=4 575 B18R2.39530 Cn1cc(c(=O)[nH]c1=O)Sc2ccccc2Cl 62a_100000185368_100000764095 [0,1,0,0,1,0|2,0,0]=4 576 B18R2.39530 Cn1cc(c(=O)[nH]c1=O)Sc2ccccc2Cl 62a_100000764095_100000185368 [0,1,0,0,1,0|2,0,0]=4 577 B18R2.39530 Cn1cc(c(=O)[nH]c1=O)Sc2ccccc2F 62a_100000185368_100011215700 [0,1,0,0,1,0|2,0,0]=4 578 B18R2.39530 Cn1cc(c(=O)[nH]c1=O)Sc2ccccc2F 62a_100011215700_100000185368 [0,1,0,0,1,0|2,0,0]=4 579 B18R2.39530 Cn1cc(c(=O)[nH]c1=O)Sc2ccccc2N 62a_100000185368_100000210017 [0,1,0,0,1,0|2,0,0]=4 580 B18R2.39530 Cn1cc(c(=O)[nH]c1=O)Sc2ccccc2N 62a_100000210017_100000185368 [0,1,0,0,1,0|2,0,0]=4 581 B18R2.39530 Cn1cc(c(=O)[nH]c1=O)Sc2ccccc2O 62a_100000185368_100000739446 [0,1,0,0,1,0|2,0,0]=4 582 B18R2.39530 Cn1cc(c(=O)[nH]c1=O)Sc2ccccc2O 62a_100000739446_100000185368 [0,1,0,0,1,0|2,0,0]=4 583 B20R2.8832 CC(CNc1cn(c(=O)[nH]c1=O)C)c2ccccc2 27a_100000701038_100000185368 [0,1,0,0,0,1|1,0,0]=3 584 B20R2.8832 CC(CSc1cn(c(=O)[nH]c1=O)C)c2ccccc2 62a_100000185368_100000756946 [0,1,0,0,0,1|1,0,0]=3 585 B20R2.8832 CC(CSc1cn(c(=O)[nH]c1=O)C)c2ccccc2 62a_100000756946_100000185368 [0,1,0,0,0,1|1,0,0]=3 586 B20R2.8832 Cn1cc(c(=O)[nH]c1=O)NCC(O)c2ccccc2 27a_100000210709_100000185368 [0,1,0,0,0,1|1,0,0]=3 587 B20R2.8832 Cn1cc(c(=O)[nH]c1=O)NCC(O)c2ccccn2 27a_100000691469_100000185368 [0,1,0,0,0,1|2,0,0]=4 588 B20R2.8832 Cn1cc(c(=O)[nH]c1=O)NCC(O)c2cccnc2 27a_100020605170_100000185368 [0,1,0,0,0,1|2,0,0]=4 589 B20R2.8832 Cn1cc(c(=O)[nH]c1=O)SCC(=O)c2ccccc2 62a_100000185368_100000211460 [0,1,0,0,0,1|1,0,1]=4 590 B20R2.8832 Cn1cc(c(=O)[nH]c1=O)SCC(=O)c2ccccc2 62a_100000211460_100000185368 [0,1,0,0,0,1|1,0,1]=4 591 B20R2.8832 Cn1cc(c(=O)[nH]c1=O)SCC(O)c2ccccc2 62a_100000185368_100000185958 [0,1,0,0,0,1|1,0,0]=3 592 B20R2.8832 Cn1cc(c(=O)[nH]c1=O)SCC(O)c2ccccc2 62a_100000185958_100000185368 [0,1,0,0,0,1|1,0,0]=3 593 B20R2.8832 Cn1cc(c(=O)[nH]c1=O)SCS(=O)c2ccccc2 62a_100000185368_100000031784 [0,1,0,0,0,1|2,0,0]=4 594 B20R2.8832 Cn1cc(c(=O)[nH]c1=O)SC[C@@H](O)c2ccccc2 62a_100000185368_100011933945 [0,1,0,0,0,1|1,0,0]=3 595 B20R2.8832 Cn1cc(c(=O)[nH]c1=O)SC[C@@H](O)c2ccccc2 62a_100011933945_100000185368 [0,1,0,0,0,1|1,0,0]=3 596 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)C=CCc2ccccc2 271570a_200016263579_100011218054 [0,1,0,0,0,1|1,0,1]=4 597 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)CNCc2ccccc2 270004a_100015324214_100000240481 [0,1,0,0,0,1|1,0,0]=3 598 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)CNCc2ccccn2 270004a_100000210449_100000240481 [0,1,0,0,0,1|2,0,0]=4 599 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)CNCc2cccnc2 270004a_100000210453_100000240481 [0,1,0,0,0,1|2,0,0]=4 600 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)OCCc2ccccc2 7a_200000084095_100000765856 [0,1,0,0,0,1|1,0,0]=3 601 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)OCCc2ccccn2 7a_200000084095_100015183660 [0,1,0,0,0,1|2,0,0]=4 602 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)OCCc2cccnc2 7a_200000084095_200011713674 [0,1,0,0,0,1|2,0,0]=4 603 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)OCCc2ccncc2 7a_200000084095_100000723409 [0,1,0,0,0,1|2,0,0]=4 604 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)SCCc2ccccc2 62a_100000765856_100011218054 [0,1,0,0,0,1|1,0,0]=3 605 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)SCCc2ccccc2 62a_100011218054_100011218657 [0,1,0,0,0,1|1,0,0]=3 606 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)SCCc2ccccn2 62a_100011218054_100015183660 [0,1,0,0,0,1|2,0,0]=4 607 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)SCCc2ccccn2 62a_100015183660_100011218054 [0,1,0,0,0,1|2,0,0]=4 608 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)SCCc2cccnc2 62a_100011218054_200011713674 [0,1,0,0,0,1|2,0,0]=4 609 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)SCCc2cccnc2 62a_200011713674_100011218054 [0,1,0,0,0,1|2,0,0]=4 610 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)SCCc2ccncc2 62a_100000723409_100011218054 [0,1,0,0,0,1|2,0,0]=4 611 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)SCCc2ccncc2 62a_100011218054_100000723409 [0,1,0,0,0,1|2,0,0]=4 612 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)SCSc2ccccc2 62a_100011218054_100011218342 [0,1,0,0,0,1|2,0,0]=4 613 B20R2.23077 Cn1cc(c(=O)n(c1=O)C)SCSc2ccccc2 62a_100011218342_100011218054 [0,1,0,0,0,1|2,0,0]=4 614 B20R2.23077 Cn1nc(c(=O)n(c1=O)C)SCCc2ccccc2 62a_100000195409_100011218657 [0,1,0,0,0,1|2,0,0]=4 615 B20R2.23077 Cn1nc(c(=O)n(c1=O)C)SCCc2ccccc2 62a_100000765856_100000195409 [0,1,0,0,0,1|2,0,0]=4 616 B20R2.23150 Cn1c(c(c(=O)[nH]c1=O)C=CCc2ccccc2)N 271570a_200016263579_100000184672 [0,1,0,0,0,1|1,0,1]=4 617 B20R2.23150 Cn1c(c(c(=O)[nH]c1=O)SCCc2ccccc2)N 62a_100000184672_100011218657 [0,1,0,0,0,1|1,0,0]=3 618 B20R2.23150 Cn1c(c(c(=O)[nH]c1=O)SCCc2ccccc2)N 62a_100000765856_100000184672 [0,1,0,0,0,1|1,0,0]=3 619 B20R2.23150 Cn1c(c(c(=O)[nH]c1=O)SCCc2ccccn2)N 62a_100000184672_100015183660 [0,1,0,0,0,1|2,0,0]=4 620 B20R2.23150 Cn1c(c(c(=O)[nH]c1=O)SCCc2ccccn2)N 62a_100015183660_100000184672 [0,1,0,0,0,1|2,0,0]=4 621 B20R2.23150 Cn1c(c(c(=O)[nH]c1=O)SCCc2cccnc2)N 62a_100000184672_200011713674 [0,1,0,0,0,1|2,0,0]=4 622 B20R2.23150 Cn1c(c(c(=O)[nH]c1=O)SCCc2cccnc2)N 62a_200011713674_100000184672 [0,1,0,0,0,1|2,0,0]=4 623 B20R2.23150 Cn1c(c(c(=O)[nH]c1=O)SCCc2ccncc2)N 62a_100000184672_100000723409 [0,1,0,0,0,1|2,0,0]=4 624 B20R2.23150 Cn1c(c(c(=O)[nH]c1=O)SCCc2ccncc2)N 62a_100000723409_100000184672 [0,1,0,0,0,1|2,0,0]=4 625 B20R2.23150 Cn1c(c(c(=O)[nH]c1=O)SCSc2ccccc2)N 62a_100000184672_100011218342 [0,1,0,0,0,1|2,0,0]=4 626 B20R2.23150 Cn1c(c(c(=O)[nH]c1=O)SCSc2ccccc2)N 62a_100011218342_100000184672 [0,1,0,0,0,1|2,0,0]=4 627 B20R2.155549 CC(Cc1ccccc1)Sc2cn(c(=O)[nH]c2=O)C 62a_100000185368_200011218536 [0,1,0,0,0,1|1,0,0]=3 628 B20R2.155549 CC(Cc1ccccc1)Sc2cn(c(=O)[nH]c2=O)C 62a_200011218536_100000185368 [0,1,0,0,0,1|1,0,0]=3 629 B20R2.155549 CC(Cc1ccccn1)Nc2cn(c(=O)[nH]c2=O)C 27a_100000238496_100000185368 [0,1,0,0,0,1|2,0,0]=4 630 B20R2.155549 CC(Cc1cccnc1)Nc2cn(c(=O)[nH]c2=O)C 27a_100011207255_100000185368 [0,1,0,0,0,1|2,0,0]=4 631 B20R2.155623 CN(CCc1ccccc1)c2cn(c(=O)[nH]c2=O)C 27a_100000207497_100000185368 [0,1,0,0,0,1|1,0,0]=3 632 B20R2.155623 CN(CCc1ccccn1)c2cn(c(=O)[nH]c2=O)C 27a_100000737206_100000185368 [0,1,0,0,0,1|2,0,0]=4 633 B20R2.155623 CN(CCc1cccnc1)c2cn(c(=O)[nH]c2=O)C 27a_100000763209_100000185368 [0,1,0,0,0,1|2,0,0]=4 634 B20R2.155623 CN(CCc1ccncc1)c2cn(c(=O)[nH]c2=O)C 27a_100000742850_100000185368 [0,1,0,0,0,1|2,0,0]=4 635 B20R2.240697 Cc1ccc(cc1)CCNc2cn(c(=O)[nH]c2=O)C 27a_100000705350_100000185368 [0,1,0,0,0,1|1,0,0]=3 636 B20R2.240697 Cc1ccc(cc1)CCSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100011713686 [0,1,0,0,0,1|1,0,0]=3 637 B20R2.240697 Cc1ccc(cc1)CCSc2cn(c(=O)[nH]c2=O)C 62a_100011713686_100000185368 [0,1,0,0,0,1|1,0,0]=3 638 B20R2.240697 Cn1cc(c(=O)[nH]c1=O)NCCc2ccc(cc2)Br 27a_100000755846_100000185368 [0,1,0,0,0,1|1,0,0]=3 639 B20R2.240697 Cn1cc(c(=O)[nH]c1=O)NCCc2ccc(cc2)Cl 27a_100000185265_100000185368 [0,1,0,0,0,1|1,0,0]=3 640 B20R2.240697 Cn1cc(c(=O)[nH]c1=O)NCCc2ccc(cc2)F 27a_100000199005_100000185368 [0,1,0,0,0,1|1,0,0]=3 641 B20R2.240697 Cn1cc(c(=O)[nH]c1=O)NCCc2ccc(cc2)O 27a_100000743037_100000185368 [0,1,0,0,0,1|1,0,0]=3 642 B20R2.240697 Cn1cc(c(=O)[nH]c1=O)SCCc2ccc(cc2)Br 62a_100000185368_100011740612 [0,1,0,0,0,1|1,0,0]=3 643 B20R2.240697 Cn1cc(c(=O)[nH]c1=O)SCCc2ccc(cc2)Br 62a_100011740612_100000185368 [0,1,0,0,0,1|1,0,0]=3 644 B20R2.240697 Cn1cc(c(=O)[nH]c1=O)SCCc2ccc(cc2)Cl 62a_100000185368_100011713675 [0,1,0,0,0,1|1,0,0]=3 645 B20R2.240697 Cn1cc(c(=O)[nH]c1=O)SCCc2ccc(cc2)Cl 62a_100011713675_100000185368 [0,1,0,0,0,1|1,0,0]=3 646 B20R2.240697 Cn1cc(c(=O)[nH]c1=O)SCCc2ccc(cc2)F 62a_100000185368_100011217392 [0,1,0,0,0,1|1,0,0]=3 647 B20R2.240697 Cn1cc(c(=O)[nH]c1=O)SCCc2ccc(cc2)F 62a_100011217392_100000185368 [0,1,0,0,0,1|1,0,0]=3 648 B20R2.240697 Cn1cc(c(=O)[nH]c1=O)SCCc2ccc(cc2)O 62a_100000185368_100009816426 [0,1,0,0,0,1|1,0,0]=3 649 B20R2.240697 Cn1cc(c(=O)[nH]c1=O)SCCc2ccc(cc2)O 62a_100009816426_100000185368 [0,1,0,0,0,1|1,0,0]=3 650 B20R2.639566 Cc1cccc(c1)CCNc2cn(c(=O)[nH]c2=O)C 27a_100000749837_100000185368 [0,1,0,0,0,1|1,0,0]=3 651 B20R2.639566 Cc1cccc(c1)CCSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100011713685 [0,1,0,0,0,1|1,0,0]=3 652 B20R2.639566 Cc1cccc(c1)CCSc2cn(c(=O)[nH]c2=O)C 62a_100011713685_100000185368 [0,1,0,0,0,1|1,0,0]=3 653 B20R2.639566 Cc1cccc(n1)CCNc2cn(c(=O)[nH]c2=O)C 27a_100011824523_100000185368 [0,1,0,0,0,1|2,0,0]=4 654 B20R2.639566 Cn1cc(c(=O)[nH]c1=O)NCCc2cccc(c2)Br 27a_100011207229_100000185368 [0,1,0,0,0,1|1,0,0]=3 655 B20R2.639566 Cn1cc(c(=O)[nH]c1=O)NCCc2cccc(c2)Cl 27a_100000185263_100000185368 [0,1,0,0,0,1|1,0,0]=3 656 B20R2.639566 Cn1cc(c(=O)[nH]c1=O)NCCc2cccc(c2)F 27a_100000205154_100000185368 [0,1,0,0,0,1|1,0,0]=3 657 B20R2.639566 Cn1cc(c(=O)[nH]c1=O)NCCc2cccc(c2)O 27a_100000747277_100000185368 [0,1,0,0,0,1|1,0,0]=3 658 B20R2.639566 Cn1cc(c(=O)[nH]c1=O)SCCc2cccc(c2)Br 62a_100000185368_100011740638 [0,1,0,0,0,1|1,0,0]=3 659 B20R2.639566 Cn1cc(c(=O)[nH]c1=O)SCCc2cccc(c2)Br 62a_100011740638_100000185368 [0,1,0,0,0,1|1,0,0]=3 660 B20R2.639566 Cn1cc(c(=O)[nH]c1=O)SCCc2cccc(c2)Cl 62a_100000185368_100011713710 [0,1,0,0,0,1|1,0,0]=3 661 B20R2.639566 Cn1cc(c(=O)[nH]c1=O)SCCc2cccc(c2)Cl 62a_100011713710_100000185368 [0,1,0,0,0,1|1,0,0]=3 662 B20R2.639566 Cn1cc(c(=O)[nH]c1=O)SCCc2cccc(c2)F 62a_100000185368_100011217235 [0,1,0,0,0,1|1,0,0]=3 663 B20R2.639566 Cn1cc(c(=O)[nH]c1=O)SCCc2cccc(c2)F 62a_100011217235_100000185368 [0,1,0,0,0,1|1,0,0]=3 664 B20R2.2894001 Cc1ccccc1CCNc2cn(c(=O)[nH]c2=O)C 27a_100000685071_100000185368 [0,1,0,0,0,1|1,0,0]=3 665 B20R2.2894001 Cc1ccccc1CCSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100011713688 [0,1,0,0,0,1|1,0,0]=3 666 B20R2.2894001 Cc1ccccc1CCSc2cn(c(=O)[nH]c2=O)C 62a_100011713688_100000185368 [0,1,0,0,0,1|1,0,0]=3 667 B20R2.2894001 Cn1cc(c(=O)[nH]c1=O)NCCc2ccccc2Br 27a_100000747383_100000185368 [0,1,0,0,0,1|1,0,0]=3 668 B20R2.2894001 Cn1cc(c(=O)[nH]c1=O)NCCc2ccccc2Cl 27a_100011207228_100000185368 [0,1,0,0,0,1|1,0,0]=3 669 B20R2.2894001 Cn1cc(c(=O)[nH]c1=O)NCCc2ccccc2F 27a_100000185272_100000185368 [0,1,0,0,0,1|1,0,0]=3 670 B20R2.2894001 Cn1cc(c(=O)[nH]c1=O)NCCc2ccccc2O 27a_100011207237_100000185368 [0,1,0,0,0,1|1,0,0]=3 671 B20R2.2894001 Cn1cc(c(=O)[nH]c1=O)NCCn2ccccc2=O 27a_100000687133_100000185368 [0,1,0,0,0,1|2,0,0]=4 672 B20R2.2894001 Cn1cc(c(=O)[nH]c1=O)SCCc2ccccc2Br 62a_100000185368_100012161201 [0,1,0,0,0,1|1,0,0]=3 673 B20R2.2894001 Cn1cc(c(=O)[nH]c1=O)SCCc2ccccc2Br 62a_100012161201_100000185368 [0,1,0,0,0,1|1,0,0]=3 674 B20R2.2894001 Cn1cc(c(=O)[nH]c1=O)SCCc2ccccc2Cl 62a_100000185368_100011713703 [0,1,0,0,0,1|1,0,0]=3 675 B20R2.2894001 Cn1cc(c(=O)[nH]c1=O)SCCc2ccccc2Cl 62a_100011713703_100000185368 [0,1,0,0,0,1|1,0,0]=3 676 B20R2.2894001 Cn1cc(c(=O)[nH]c1=O)SCCc2ccccc2F 62a_100000185368_100011713696 [0,1,0,0,0,1|1,0,0]=3 677 B20R2.2894001 Cn1cc(c(=O)[nH]c1=O)SCCc2ccccc2F 62a_100011713696_100000185368 [0,1,0,0,0,1|1,0,0]=3 678 B20R2.2894001 Cn1cc(c(=O)[nH]c1=O)SCCc2ccccc2O 62a_100000185368_100000722297 [0,1,0,0,0,1|1,0,0]=3 679 B20R2.2894001 Cn1cc(c(=O)[nH]c1=O)SCCc2ccccc2O 62a_100000722297_100000185368 [0,1,0,0,0,1|1,0,0]=3 680 B20R2.63870 CCn1c(c(c(=O)[nH]c1=O)NCc2ccccc2)N 27a_100015324214_100000184670 [0,2,0,0,0,0|2,0,0]=4 681 B20R2.8831 CC(c1ccccc1)N(C)c2cn(c(=O)[nH]c2=O)C 27a_100000195388_100000185368 [0,2,0,0,0,0|2,0,0]=4 682 B20R2.940903 CCN(Cc1ccccc1)c2cn(c(=O)[nH]c2=O)C 27a_100000186914_100000185368 [0,2,0,0,0,0|2,0,0]=4 683 B20R2.1301825 CN(Cc1ccc(cc1)Br)c2cn(c(=O)[nH]c2=O)C 27a_100000180866_100000185368 [0,2,0,0,0,0|2,0,0]=4 684 B20R2.1301825 CN(Cc1ccc(cc1)Cl)c2cn(c(=O)[nH]c2=O)C 27a_100000184517_100000185368 [0,2,0,0,0,0|2,0,0]=4 685 B20R2.1301825 CN(Cc1ccc(cc1)F)c2cn(c(=O)[nH]c2=O)C 27a_100000184576_100000185368 [0,2,0,0,0,0|2,0,0]=4 686 B20R2.1301825 CN(Cc1ccc(cc1)O)c2cn(c(=O)[nH]c2=O)C 27a_100000207500_100000185368 [0,2,0,0,0,0|2,0,0]=4 687 B20R2.1301825 Cc1ccc(cc1)CN(C)c2cn(c(=O)[nH]c2=O)C 27a_100000744650_100000185368 [0,2,0,0,0,0|2,0,0]=4 688 B20R2.7467565 CN(Cc1ccccc1Br)c2cn(c(=O)[nH]c2=O)C 27a_100000184654_100000185368 [0,2,0,0,0,0|2,0,0]=4 689 B20R2.7467565 CN(Cc1ccccc1Cl)c2cn(c(=O)[nH]c2=O)C 27a_100000184507_100000185368 [0,2,0,0,0,0|2,0,0]=4 690 B20R2.7467565 CN(Cc1ccccc1F)c2cn(c(=O)[nH]c2=O)C 27a_100000742528_100000185368 [0,2,0,0,0,0|2,0,0]=4 691 B20R2.7467565 CN(Cc1ccccc1O)c2cn(c(=O)[nH]c2=O)C 27a_100015189988_100000185368 [0,2,0,0,0,0|2,0,0]=4 692 B20R2.7467565 Cc1ccccc1CN(C)c2cn(c(=O)[nH]c2=O)C 27a_100000184421_100000185368 [0,2,0,0,0,0|2,0,0]=4 693 B20R2.10481040 CN(Cc1cccc(c1)Br)c2cn(c(=O)[nH]c2=O)C 27a_100000187585_100000185368 [0,2,0,0,0,0|2,0,0]=4 694 B20R2.10481040 CN(Cc1cccc(c1)Cl)c2cn(c(=O)[nH]c2=O)C 27a_100020629429_100000185368 [0,2,0,0,0,0|2,0,0]=4 695 B20R2.10481040 CN(Cc1cccc(c1)F)c2cn(c(=O)[nH]c2=O)C 27a_100000184398_100000185368 [0,2,0,0,0,0|2,0,0]=4 696 B20R2.10481040 CN(Cc1cccc(c1)O)c2cn(c(=O)[nH]c2=O)C 27a_100000207540_100000185368 [0,2,0,0,0,0|2,0,0]=4 697 B20R2.10481040 Cc1cccc(c1)CN(C)c2cn(c(=O)[nH]c2=O)C 27a_102495364743_100000185368 [0,2,0,0,0,0|2,0,0]=4 698 B20R2.23145 CC(Cc1cn(c(=O)n(c1=O)C)C)c2ccccc2 271570a_100000062452_100011218054 [0,2,0,0,0,0|1,0,0]=3 699 B20R2.23145 CC(Cc1nn(c(=O)n(c1=O)C)C)c2ccccc2 271570a_100000062452_100000195409 [0,2,0,0,0,0|2,0,0]=4 700 B20R2.23145 CC(Oc1cn(c(=O)n(c1=O)C)C)c2ccccc2 7a_200000084095_100000230085 [0,2,0,0,0,0|2,0,0]=4 701 B20R2.23145 CC(Sc1cn(c(=O)n(c1=O)C)C)c2ccccc2 62a_100000230085_100011218054 [0,2,0,0,0,0|2,0,0]=4 702 B20R2.23145 CC(Sc1cn(c(=O)n(c1=O)C)C)c2ccccc2 62a_100011218054_100000230085 [0,2,0,0,0,0|2,0,0]=4 703 B20R2.93421 CC(Cc1c(n(c(=O)[nH]c1=O)C)N)c2ccccc2 271570a_100000062452_100000184672 [0,2,0,0,0,0|1,0,0]=3 704 B20R2.93421 CC(Sc1c(n(c(=O)[nH]c1=O)C)N)c2ccccc2 62a_100000184672_100000230085 [0,2,0,0,0,0|2,0,0]=4 705 B20R2.93421 CC(Sc1c(n(c(=O)[nH]c1=O)C)N)c2ccccc2 62a_100000230085_100000184672 [0,2,0,0,0,0|2,0,0]=4 706 B20R2.155622 Cn1cc(c(=O)[nH]c1=O)NC(C)(C)c2ccccc2 27a_100011218174_100000185368 [0,2,0,0,0,0|2,0,0]=4 707 B20R2.155622 Cn1cc(c(=O)[nH]c1=O)SC(C)(C)c2ccccc2 62a_100000034625_100000185368 [0,2,0,0,0,0|2,0,0]=4 708 B20R2.155622 Cn1cc(c(=O)[nH]c1=O)SC(C)(C)c2ccccc2 62a_100000185368_100000034625 [0,2,0,0,0,0|2,0,0]=4 709 B20R2.155622 Cn1cc(c(=O)[nH]c1=O)SC(F)(F)c2ccccc2 62a_100000185368_100000036403 [0,2,0,0,0,0|2,0,0]=4 710 B20R2.195838 C=CC(Sc1cn(c(=O)[nH]c1=O)C)c2ccccc2 62a_100000185368_200000085779 [0,2,0,0,0,0|2,0,0]=4 711 B20R2.195838 C=CC(Sc1cn(c(=O)[nH]c1=O)C)c2ccccc2 62a_200000085779_100000185368 [0,2,0,0,0,0|2,0,0]=4 712 B20R2.195838 CCC(Nc1cn(c(=O)[nH]c1=O)C)c2ccccc2 27a_100000737752_100000185368 [0,2,0,0,0,0|2,0,0]=4 713 B20R2.195838 Cn1cc(c(=O)[nH]c1=O)N[C@H](CO)c2ccccc2 27a_100000751927_100000185368 [0,2,0,0,0,0|2,0,0]=4 714 B20R2.236956 CC(Sc1cn(c(=O)[nH]c1=O)C)c2ccc(cc2)Br 62a_100000185368_100000755118 [0,2,0,0,0,0|2,0,0]=4 715 B20R2.236956 CC(Sc1cn(c(=O)[nH]c1=O)C)c2ccc(cc2)Br 62a_100000755118_100000185368 [0,2,0,0,0,0|2,0,0]=4 716 B20R2.236956 CC(Sc1cn(c(=O)[nH]c1=O)C)c2ccc(cc2)Cl 62a_100000185368_100000684792 [0,2,0,0,0,0|2,0,0]=4 717 B20R2.236956 CC(Sc1cn(c(=O)[nH]c1=O)C)c2ccc(cc2)Cl 62a_100000684792_100000185368 [0,2,0,0,0,0|2,0,0]=4 718 B20R2.236956 CC(Sc1cn(c(=O)[nH]c1=O)C)c2ccc(cc2)F 62a_100000185368_100000743420 [0,2,0,0,0,0|2,0,0]=4 719 B20R2.236956 CC(Sc1cn(c(=O)[nH]c1=O)C)c2ccc(cc2)F 62a_100000743420_100000185368 [0,2,0,0,0,0|2,0,0]=4 720 B20R2.236956 C[C@@H](Nc1cn(c(=O)[nH]c1=O)C)c2ccc(cc2)Br 27a_100000720352_100000185368 [0,2,0,0,0,0|2,0,0]=4 721 B20R2.236956 C[C@@H](Nc1cn(c(=O)[nH]c1=O)C)c2ccc(cc2)Cl 27a_100015205461_100000185368 [0,2,0,0,0,0|2,0,0]=4 722 B20R2.236956 C[C@H](Nc1cn(c(=O)[nH]c1=O)C)c2ccc(cc2)F 27a_100025705893_100000185368 [0,2,0,0,0,0|2,0,0]=4 723 B20R2.236956 C[C@H](Nc1cn(c(=O)[nH]c1=O)C)c2ccc(cc2)I 27a_100000753911_100000185368 [0,2,0,0,0,0|2,0,0]=4 724 B20R2.236956 C[C@H](Nc1cn(c(=O)[nH]c1=O)C)c2ccc(cc2)O 27a_100161106496_100000185368 [0,2,0,0,0,0|2,0,0]=4 725 B20R2.236956 Cc1ccc(cc1)C(C)Sc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100011261388 [0,2,0,0,0,0|2,0,0]=4 726 B20R2.236956 Cc1ccc(cc1)C(C)Sc2cn(c(=O)[nH]c2=O)C 62a_100011261388_100000185368 [0,2,0,0,0,0|2,0,0]=4 727 B20R2.236956 Cc1ccc(cc1)[C@@H](C)Nc2cn(c(=O)[nH]c2=O)C 27a_100016988085_100000185368 [0,2,0,0,0,0|2,0,0]=4 728 B20R2.635335 CC(Nc1cn(c(=O)[nH]c1=O)C)c2cccc(c2)Br 27a_100020642005_100000185368 [0,2,0,0,0,0|2,0,0]=4 729 B20R2.635335 CC(Nc1cn(c(=O)[nH]c1=O)C)c2cccc(c2)Cl 27a_100102723534_100000185368 [0,2,0,0,0,0|2,0,0]=4 730 B20R2.635335 CC(Nc1cn(c(=O)[nH]c1=O)C)c2cccc(c2)O 27a_100000740644_100000185368 [0,2,0,0,0,0|2,0,0]=4 731 B20R2.635335 C[C@@H](Nc1cn(c(=O)[nH]c1=O)C)c2cccc(c2)F 27a_100015193778_100000185368 [0,2,0,0,0,0|2,0,0]=4 732 B20R2.635335 Cc1cccc(c1)[C@@H](C)Nc2cn(c(=O)[nH]c2=O)C 27a_100000698126_100000185368 [0,2,0,0,0,0|2,0,0]=4 733 B20R2.2724234 CC(Nc1cn(c(=O)[nH]c1=O)C)c2ccccc2Br 27a_100000181357_100000185368 [0,2,0,0,0,0|2,0,0]=4 734 B20R2.2724234 CC(Nc1cn(c(=O)[nH]c1=O)C)c2ccccc2Cl 27a_100000174978_100000185368 [0,2,0,0,0,0|2,0,0]=4 735 B20R2.2724234 CC(Nc1cn(c(=O)[nH]c1=O)C)c2ccccc2F 27a_100000181408_100000185368 [0,2,0,0,0,0|2,0,0]=4 736 B20R2.2724234 CC(Sc1cn(c(=O)[nH]c1=O)C)c2ccccc2Cl 62a_100000181259_100000185368 [0,2,0,0,0,0|2,0,0]=4 737 B20R2.2724234 CC(Sc1cn(c(=O)[nH]c1=O)C)c2ccccc2Cl 62a_100000185368_100000181259 [0,2,0,0,0,0|2,0,0]=4 738 B20R2.2724234 CC(Sc1cn(c(=O)[nH]c1=O)C)c2ccccc2F 62a_100000185368_200000741388 [0,2,0,0,0,0|2,0,0]=4 739 B20R2.2724234 CC(Sc1cn(c(=O)[nH]c1=O)C)c2ccccc2F 62a_200000741388_100000185368 [0,2,0,0,0,0|2,0,0]=4 740 B20R2.2724234 C[C@@H](Nc1cn(c(=O)[nH]c1=O)C)c2ccccc2O 27a_100025703389_100000185368 [0,2,0,0,0,0|2,0,0]=4 741 B20R2.2724234 Cc1ccccc1C(C)Nc2cn(c(=O)[nH]c2=O)C 27a_100000181355_100000185368 [0,2,0,0,0,0|2,0,0]=4 742 B20R2.8680 Cc1ccccc1COc2cn(c(=O)n(c2=O)C)C 7a_200000084095_100000211839 [0,2,0,0,0,0|2,0,0]=4 743 B20R2.8680 Cc1ccccc1CSc2cn(c(=O)n(c2=O)C)C 62a_100000211839_100011218054 [0,2,0,0,0,0|2,0,0]=4 744 B20R2.8680 Cc1ccccc1CSc2cn(c(=O)n(c2=O)C)C 62a_100011218054_100000211839 [0,2,0,0,0,0|2,0,0]=4 745 B20R2.8680 Cc1ccccc1NCc2cn(c(=O)n(c2=O)C)C 270302a_100015192222_100000240481 [0,2,0,0,0,0|2,0,0]=4 746 B20R2.8680 Cn1cc(c(=O)n(c1=O)C)OCc2ccccc2Br 7a_200000084095_100000184730 [0,2,0,0,0,0|2,0,0]=4 747 B20R2.8680 Cn1cc(c(=O)n(c1=O)C)OCc2ccccc2Cl 7a_200000084095_100000187162 [0,2,0,0,0,0|2,0,0]=4 748 B20R2.8680 Cn1cc(c(=O)n(c1=O)C)OCc2ccccc2F 7a_200000084095_100000211605 [0,2,0,0,0,0|2,0,0]=4 749 B20R2.8680 Cn1cc(c(=O)n(c1=O)C)OCc2ccccc2I 7a_200000084095_100011215278 [0,2,0,0,0,0|2,0,0]=4 750 B20R2.8680 Cn1cc(c(=O)n(c1=O)C)SCc2ccccc2Br 62a_100000184730_100011218054 [0,2,0,0,0,0|2,0,0]=4 751 B20R2.8680 Cn1cc(c(=O)n(c1=O)C)SCc2ccccc2Br 62a_100011218054_100000184730 [0,2,0,0,0,0|2,0,0]=4 752 B20R2.8680 Cn1cc(c(=O)n(c1=O)C)SCc2ccccc2Cl 62a_100000187162_100011218054 [0,2,0,0,0,0|2,0,0]=4 753 B20R2.8680 Cn1cc(c(=O)n(c1=O)C)SCc2ccccc2Cl 62a_100011218054_100000187162 [0,2,0,0,0,0|2,0,0]=4 754 B20R2.8680 Cn1cc(c(=O)n(c1=O)C)SCc2ccccc2F 62a_100000211605_100011218054 [0,2,0,0,0,0|2,0,0]=4 755 B20R2.8680 Cn1cc(c(=O)n(c1=O)C)SCc2ccccc2F 62a_100011218054_100000211605 [0,2,0,0,0,0|2,0,0]=4 756 B20R2.8680 Cn1cc(c(=O)n(c1=O)C)SCc2ccccc2I 62a_100011216222_100011218054 [0,2,0,0,0,0|2,0,0]=4 757 B20R2.8680 Cn1cc(c(=O)n(c1=O)C)SCc2ccccc2I 62a_100011218054_100011216222 [0,2,0,0,0,0|2,0,0]=4 758 B20R2.15812 Cc1ccc(cc1)COc2cn(c(=O)n(c2=O)C)C 7a_200000084095_100000210814 [0,2,0,0,0,0|2,0,0]=4 759 B20R2.15812 Cc1ccc(cc1)CSc2cn(c(=O)n(c2=O)C)C 62a_100000210814_100011218054 [0,2,0,0,0,0|2,0,0]=4 760 B20R2.15812 Cc1ccc(cc1)CSc2cn(c(=O)n(c2=O)C)C 62a_100011218054_100000210814 [0,2,0,0,0,0|2,0,0]=4 761 B20R2.15812 Cc1ccc(cc1)NCc2cn(c(=O)n(c2=O)C)C 270302a_100000124888_100000240481 [0,2,0,0,0,0|2,0,0]=4 762 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)CNc2ccc(cc2)Br 270302a_100000210018_100000240481 [0,2,0,0,0,0|2,0,0]=4 763 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)CNc2ccc(cc2)Cl 270302a_100000210052_100000240481 [0,2,0,0,0,0|2,0,0]=4 764 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)CNc2ccc(cc2)F 270302a_100000185862_100000240481 [0,2,0,0,0,0|2,0,0]=4 765 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)CNc2ccc(cc2)I 270302a_100000185761_100000240481 [0,2,0,0,0,0|2,0,0]=4 766 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)CNc2ccc(cc2)O 270302a_100000185829_100000240481 [0,2,0,0,0,0|2,0,0]=4 767 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)OCc2ccc(cc2)Br 7a_200000084095_100011217064 [0,2,0,0,0,0|2,0,0]=4 768 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)OCc2ccc(cc2)Cl 7a_200000084095_100000187161 [0,2,0,0,0,0|2,0,0]=4 769 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)OCc2ccc(cc2)F 7a_200000084095_100000198546 [0,2,0,0,0,0|2,0,0]=4 770 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)OCc2ccc(cc2)I 7a_200000084095_100000189116 [0,2,0,0,0,0|2,0,0]=4 771 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)SCc2ccc(cc2)Br 62a_100000189115_100011218054 [0,2,0,0,0,0|2,0,0]=4 772 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)SCc2ccc(cc2)Br 62a_100011218054_100000189115 [0,2,0,0,0,0|2,0,0]=4 773 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)SCc2ccc(cc2)Cl 62a_100000187161_100011218054 [0,2,0,0,0,0|2,0,0]=4 774 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)SCc2ccc(cc2)Cl 62a_100011218054_100000187161 [0,2,0,0,0,0|2,0,0]=4 775 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)SCc2ccc(cc2)F 62a_100000198546_100011218054 [0,2,0,0,0,0|2,0,0]=4 776 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)SCc2ccc(cc2)F 62a_100011218054_100000187164 [0,2,0,0,0,0|2,0,0]=4 777 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)SCc2ccc(cc2)I 62a_100000189116_100011218054 [0,2,0,0,0,0|2,0,0]=4 778 B20R2.15812 Cn1cc(c(=O)n(c1=O)C)SCc2ccc(cc2)I 62a_100011218054_100000189116 [0,2,0,0,0,0|2,0,0]=4 779 B20R2.153648 Cc1cccc(c1)COc2cn(c(=O)n(c2=O)C)C 7a_200000084095_100000211840 [0,2,0,0,0,0|2,0,0]=4 780 B20R2.153648 Cc1cccc(c1)CSc2cn(c(=O)n(c2=O)C)C 62a_100000211840_100011218054 [0,2,0,0,0,0|2,0,0]=4 781 B20R2.153648 Cc1cccc(c1)CSc2cn(c(=O)n(c2=O)C)C 62a_100011218054_100000211840 [0,2,0,0,0,0|2,0,0]=4 782 B20R2.153648 Cc1cccc(c1)NCc2cn(c(=O)n(c2=O)C)C 270302a_100000188690_100000240481 [0,2,0,0,0,0|2,0,0]=4 783 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)CNc2cccc(c2)Br 270302a_100000210019_100000240481 [0,2,0,0,0,0|2,0,0]=4 784 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)CNc2cccc(c2)Cl 270302a_100000185859_100000240481 [0,2,0,0,0,0|2,0,0]=4 785 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)CNc2cccc(c2)F 270302a_100000210047_100000240481 [0,2,0,0,0,0|2,0,0]=4 786 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)CNc2cccc(c2)I 270302a_100000211102_100000240481 [0,2,0,0,0,0|2,0,0]=4 787 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)CNc2cccc(c2)O 270302a_100000210217_100000240481 [0,2,0,0,0,0|2,0,0]=4 788 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)OCc2cccc(c2)Br 7a_200000084095_100000211773 [0,2,0,0,0,0|2,0,0]=4 789 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)OCc2cccc(c2)Cl 7a_200000084095_100000187163 [0,2,0,0,0,0|2,0,0]=4 790 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)OCc2cccc(c2)F 7a_200000084095_100000230114 [0,2,0,0,0,0|2,0,0]=4 791 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)OCc2cccc(c2)I 7a_200000084095_100011218688 [0,2,0,0,0,0|2,0,0]=4 792 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)OCc2cccc(c2)O 7a_200000084095_100000084143 [0,2,0,0,0,0|2,0,0]=4 793 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)SCc2cccc(c2)Br 62a_100000211773_100011218054 [0,2,0,0,0,0|2,0,0]=4 794 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)SCc2cccc(c2)Br 62a_100011218054_100000211773 [0,2,0,0,0,0|2,0,0]=4 795 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)SCc2cccc(c2)Cl 62a_100000187163_100011218054 [0,2,0,0,0,0|2,0,0]=4 796 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)SCc2cccc(c2)Cl 62a_100011218054_100000187163 [0,2,0,0,0,0|2,0,0]=4 797 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)SCc2cccc(c2)F 62a_100000230114_100011218054 [0,2,0,0,0,0|2,0,0]=4 798 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)SCc2cccc(c2)F 62a_100011218054_100000230114 [0,2,0,0,0,0|2,0,0]=4 799 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)SCc2cccc(c2)I 62a_100011218054_100011218688 [0,2,0,0,0,0|2,0,0]=4 800 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)SCc2cccc(c2)I 62a_100011218688_100011218054 [0,2,0,0,0,0|2,0,0]=4 801 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)SCc2cccc(c2)O 62a_100011218054_100011660834 [0,2,0,0,0,0|2,0,0]=4 802 B20R2.153648 Cn1cc(c(=O)n(c1=O)C)SCc2cccc(c2)O 62a_100011660834_100011218054 [0,2,0,0,0,0|2,0,0]=4 803 B20R2.4668372 Cc1c(c(=O)n(c(=O)n1C)C)SCc2ccccc2 62a_100000211182_200009812460 [0,2,0,0,0,0|2,0,0]=4 804 B20R2.4668372 Cc1c(c(=O)n(c(=O)n1C)C)SCc2ccccc2 62a_200009812460_100015291786 [0,2,0,0,0,0|2,0,0]=4 805 B20R2.4668372 Cn1c(c(c(=O)n(c1=O)C)CNc2ccccc2)Cl 270302a_100000106764_100000045789 [0,2,0,0,0,0|2,0,0]=4 806 B20R2.240787 Cc1ccc(cc1)CSc2c(n(c(=O)[nH]c2=O)C)N 62a_100000184672_100000210814 [0,2,0,0,0,0|2,0,0]=4 807 B20R2.240787 Cc1ccc(cc1)CSc2c(n(c(=O)[nH]c2=O)C)N 62a_100000210814_100000184672 [0,2,0,0,0,0|2,0,0]=4 808 B20R2.240787 Cn1c(c(c(=O)[nH]c1=O)SCc2ccc(cc2)Br)N 62a_100000184672_100000189115 [0,2,0,0,0,0|2,0,0]=4 809 B20R2.240787 Cn1c(c(c(=O)[nH]c1=O)SCc2ccc(cc2)Br)N 62a_100000189115_100000184672 [0,2,0,0,0,0|2,0,0]=4 810 B20R2.240787 Cn1c(c(c(=O)[nH]c1=O)SCc2ccc(cc2)Cl)N 62a_100000184672_100000187161 [0,2,0,0,0,0|2,0,0]=4 811 B20R2.240787 Cn1c(c(c(=O)[nH]c1=O)SCc2ccc(cc2)Cl)N 62a_100000187161_100000184672 [0,2,0,0,0,0|2,0,0]=4 812 B20R2.240787 Cn1c(c(c(=O)[nH]c1=O)SCc2ccc(cc2)F)N 62a_100000184672_100000187164 [0,2,0,0,0,0|2,0,0]=4 813 B20R2.240787 Cn1c(c(c(=O)[nH]c1=O)SCc2ccc(cc2)F)N 62a_100000198546_100000184672 [0,2,0,0,0,0|2,0,0]=4 814 B20R2.240787 Cn1c(c(c(=O)[nH]c1=O)SCc2ccc(cc2)I)N 62a_100000184672_100000189116 [0,2,0,0,0,0|2,0,0]=4 815 B20R2.240787 Cn1c(c(c(=O)[nH]c1=O)SCc2ccc(cc2)I)N 62a_100000189116_100000184672 [0,2,0,0,0,0|2,0,0]=4 816 B20R2.598330 Cc1ccccc1CSc2c(n(c(=O)[nH]c2=O)C)N 62a_100000184672_100000211839 [0,2,0,0,0,0|2,0,0]=4 817 B20R2.598330 Cc1ccccc1CSc2c(n(c(=O)[nH]c2=O)C)N 62a_100000211839_100000184672 [0,2,0,0,0,0|2,0,0]=4 818 B20R2.598330 Cn1c(c(c(=O)[nH]c1=O)SCc2ccccc2Br)N 62a_100000184672_100000184730 [0,2,0,0,0,0|2,0,0]=4 819 B20R2.598330 Cn1c(c(c(=O)[nH]c1=O)SCc2ccccc2Br)N 62a_100000184730_100000184672 [0,2,0,0,0,0|2,0,0]=4 820 B20R2.598330 Cn1c(c(c(=O)[nH]c1=O)SCc2ccccc2Cl)N 62a_100000184672_100000187162 [0,2,0,0,0,0|2,0,0]=4 821 B20R2.598330 Cn1c(c(c(=O)[nH]c1=O)SCc2ccccc2Cl)N 62a_100000187162_100000184672 [0,2,0,0,0,0|2,0,0]=4 822 B20R2.598330 Cn1c(c(c(=O)[nH]c1=O)SCc2ccccc2F)N 62a_100000184672_100000211605 [0,2,0,0,0,0|2,0,0]=4 823 B20R2.598330 Cn1c(c(c(=O)[nH]c1=O)SCc2ccccc2F)N 62a_100000211605_100000184672 [0,2,0,0,0,0|2,0,0]=4 824 B20R2.598330 Cn1c(c(c(=O)[nH]c1=O)SCc2ccccc2I)N 62a_100000184672_100011216222 [0,2,0,0,0,0|2,0,0]=4 825 B20R2.598330 Cn1c(c(c(=O)[nH]c1=O)SCc2ccccc2I)N 62a_100011216222_100000184672 [0,2,0,0,0,0|2,0,0]=4 826 B20R2.639636 Cc1cccc(c1)CSc2c(n(c(=O)[nH]c2=O)C)N 62a_100000184672_100000211840 [0,2,0,0,0,0|2,0,0]=4 827 B20R2.639636 Cc1cccc(c1)CSc2c(n(c(=O)[nH]c2=O)C)N 62a_100000211840_100000184672 [0,2,0,0,0,0|2,0,0]=4 828 B20R2.639636 Cn1c(c(c(=O)[nH]c1=O)SCc2cccc(c2)Br)N 62a_100000184672_100000211773 [0,2,0,0,0,0|2,0,0]=4 829 B20R2.639636 Cn1c(c(c(=O)[nH]c1=O)SCc2cccc(c2)Br)N 62a_100000211773_100000184672 [0,2,0,0,0,0|2,0,0]=4 830 B20R2.639636 Cn1c(c(c(=O)[nH]c1=O)SCc2cccc(c2)Cl)N 62a_100000184672_100000187163 [0,2,0,0,0,0|2,0,0]=4 831 B20R2.639636 Cn1c(c(c(=O)[nH]c1=O)SCc2cccc(c2)Cl)N 62a_100000187163_100000184672 [0,2,0,0,0,0|2,0,0]=4 832 B20R2.639636 Cn1c(c(c(=O)[nH]c1=O)SCc2cccc(c2)F)N 62a_100000184672_100000230114 [0,2,0,0,0,0|2,0,0]=4 833 B20R2.639636 Cn1c(c(c(=O)[nH]c1=O)SCc2cccc(c2)F)N 62a_100000230114_100000184672 [0,2,0,0,0,0|2,0,0]=4 834 B20R2.639636 Cn1c(c(c(=O)[nH]c1=O)SCc2cccc(c2)I)N 62a_100000184672_100011218688 [0,2,0,0,0,0|2,0,0]=4 835 B20R2.639636 Cn1c(c(c(=O)[nH]c1=O)SCc2cccc(c2)I)N 62a_100011218688_100000184672 [0,2,0,0,0,0|2,0,0]=4 836 B20R2.639636 Cn1c(c(c(=O)[nH]c1=O)SCc2cccc(c2)O)N 62a_100000184672_100011660834 [0,2,0,0,0,0|2,0,0]=4 837 B20R2.639636 Cn1c(c(c(=O)[nH]c1=O)SCc2cccc(c2)O)N 62a_100011660834_100000184672 [0,2,0,0,0,0|2,0,0]=4 838 B20R2.290469 C#Cc1ccccc1CNc2cn(c(=O)[nH]c2=O)C 27a_100020634229_100000185368 [0,2,0,0,0,0|2,0,0]=4 839 B20R2.290469 COc1ccccc1CNc2cn(c(=O)[nH]c2=O)C 27a_100000188900_100000185368 [0,2,0,0,0,0|2,0,0]=4 840 B20R2.290469 COc1ccccc1CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000210004 [0,2,0,0,0,0|2,0,0]=4 841 B20R2.290469 COc1ccccc1CSc2cn(c(=O)[nH]c2=O)C 62a_100000210004_100000185368 [0,2,0,0,0,0|2,0,0]=4 842 B20R2.290469 CSc1ccccc1CNc2cn(c(=O)[nH]c2=O)C 27a_102495365025_100000185368 [0,2,0,0,0,0|2,0,0]=4 843 B20R2.290469 CSc1ccccc1CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000699184 [0,2,0,0,0,0|2,0,0]=4 844 B20R2.290469 CSc1ccccc1CSc2cn(c(=O)[nH]c2=O)C 62a_100000699184_100000185368 [0,2,0,0,0,0|2,0,0]=4 845 B20R2.290469 Cn1cc(c(=O)[nH]c1=O)NCc2ccccc2C#N 27a_100016989011_100000185368 [0,2,0,0,0,0|2,0,0]=4 846 B20R2.290469 Cn1cc(c(=O)[nH]c1=O)NCc2ccccc2CO 27a_100000743596_100000185368 [0,2,0,0,0,0|2,0,0]=4 847 B20R2.290469 Cn1cc(c(=O)[nH]c1=O)SCc2ccccc2C#N 62a_100000185368_100000181865 [0,2,0,0,0,0|2,0,0]=4 848 B20R2.290469 Cn1cc(c(=O)[nH]c1=O)SCc2ccccc2C#N 62a_100000186380_100000185368 [0,2,0,0,0,0|2,0,0]=4 849 B20R2.290469 Cn1cc(c(=O)[nH]c1=O)SCc2ccccc2C=O 62a_100000185368_200009853537 [0,2,0,0,0,0|2,0,0]=4 850 B20R2.290469 Cn1cc(c(=O)[nH]c1=O)SCc2ccccc2C=O 62a_200009853537_100000185368 [0,2,0,0,0,0|2,0,0]=4 851 B20R2.290469 Cn1cc(c(=O)[nH]c1=O)SCc2ccccc2CO 62a_100000185368_100009816955 [0,2,0,0,0,0|2,0,0]=4 852 B20R2.290469 Cn1cc(c(=O)[nH]c1=O)SCc2ccccc2CO 62a_100009816955_100000185368 [0,2,0,0,0,0|2,0,0]=4 853 B20R2.635478 Cc1c(cccc1CNc2cn(c(=O)[nH]c2=O)C)Br 27a_100000724210_100000185368 [0,2,0,0,0,0|2,0,0]=4 854 B20R2.635478 Cc1c(cccc1CNc2cn(c(=O)[nH]c2=O)C)Cl 27a_100020639605_100000185368 [0,2,0,0,0,0|2,0,0]=4 855 B20R2.635478 Cc1c(cccc1CNc2cn(c(=O)[nH]c2=O)C)F 27a_100132306986_100000185368 [0,2,0,0,0,0|2,0,0]=4 856 B20R2.635478 Cc1c(cccc1CSc2cn(c(=O)[nH]c2=O)C)Br 62a_100000185368_100000694682 [0,2,0,0,0,0|2,0,0]=4 857 B20R2.635478 Cc1c(cccc1CSc2cn(c(=O)[nH]c2=O)C)Br 62a_100000694682_100000185368 [0,2,0,0,0,0|2,0,0]=4 858 B20R2.635478 Cc1c(cccc1CSc2cn(c(=O)[nH]c2=O)C)Cl 62a_100000185368_100012186920 [0,2,0,0,0,0|2,0,0]=4 859 B20R2.635478 Cc1c(cccc1CSc2cn(c(=O)[nH]c2=O)C)Cl 62a_100012186920_100000185368 [0,2,0,0,0,0|2,0,0]=4 860 B20R2.635478 Cc1c(cccc1CSc2cn(c(=O)[nH]c2=O)C)F 62a_100000185368_100009813626 [0,2,0,0,0,0|2,0,0]=4 861 B20R2.635478 Cc1c(cccc1CSc2cn(c(=O)[nH]c2=O)C)F 62a_100009813626_100000185368 [0,2,0,0,0,0|2,0,0]=4 862 B20R2.635478 Cc1c(cccc1CSc2cn(c(=O)[nH]c2=O)C)I 62a_100000185368_100010150147 [0,2,0,0,0,0|2,0,0]=4 863 B20R2.635478 Cc1c(cccc1CSc2cn(c(=O)[nH]c2=O)C)I 62a_100010150147_100000185368 [0,2,0,0,0,0|2,0,0]=4 864 B20R2.635478 Cc1cccc(c1Br)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_200012349612 [0,2,0,0,0,0|2,0,0]=4 865 B20R2.635478 Cc1cccc(c1Br)CSc2cn(c(=O)[nH]c2=O)C 62a_200012349612_100000185368 [0,2,0,0,0,0|2,0,0]=4 866 B20R2.635478 Cc1cccc(c1C)CNc2cn(c(=O)[nH]c2=O)C 27a_100011211637_100000185368 [0,2,0,0,0,0|2,0,0]=4 867 B20R2.635478 Cc1cccc(c1C)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100011515928 [0,2,0,0,0,0|2,0,0]=4 868 B20R2.635478 Cc1cccc(c1C)CSc2cn(c(=O)[nH]c2=O)C 62a_100011515928_100000185368 [0,2,0,0,0,0|2,0,0]=4 869 B20R2.635478 Cc1cccc(c1Cl)CNc2cn(c(=O)[nH]c2=O)C 27a_100025705714_100000185368 [0,2,0,0,0,0|2,0,0]=4 870 B20R2.635478 Cc1cccc(c1F)CNc2cn(c(=O)[nH]c2=O)C 27a_100012002060_100000185368 [0,2,0,0,0,0|2,0,0]=4 871 B20R2.635478 Cc1cccc(c1F)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100011216058 [0,2,0,0,0,0|2,0,0]=4 872 B20R2.635478 Cc1cccc(c1F)CSc2cn(c(=O)[nH]c2=O)C 62a_100011216058_100000185368 [0,2,0,0,0,0|2,0,0]=4 873 B20R2.635478 Cc1cccc(c1O)CNc2cn(c(=O)[nH]c2=O)C 27a_100020639391_100000185368 [0,2,0,0,0,0|2,0,0]=4 874 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(c2Br)F 27a_100020638964_100000185368 [0,2,0,0,0,0|2,0,0]=4 875 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(c2Cl)Cl 27a_100011211633_100000185368 [0,2,0,0,0,0|2,0,0]=4 876 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(c2Cl)F 27a_100012001614_100000185368 [0,2,0,0,0,0|2,0,0]=4 877 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(c2F)Br 27a_100015189953_100000185368 [0,2,0,0,0,0|2,0,0]=4 878 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(c2F)Cl 27a_100000764326_100000185368 [0,2,0,0,0,0|2,0,0]=4 879 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(c2F)F 27a_100011199105_100000185368 [0,2,0,0,0,0|2,0,0]=4 880 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(c2F)O 27a_100025773512_100000185368 [0,2,0,0,0,0|2,0,0]=4 881 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2Br)Cl 62a_100000185368_100010145525 [0,2,0,0,0,0|2,0,0]=4 882 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2Br)Cl 62a_100010145525_100000185368 [0,2,0,0,0,0|2,0,0]=4 883 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2Br)F 62a_100000185368_100012351116 [0,2,0,0,0,0|2,0,0]=4 884 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2Br)F 62a_100012351116_100000185368 [0,2,0,0,0,0|2,0,0]=4 885 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2Br)I 62a_100000185368_100010254545 [0,2,0,0,0,0|2,0,0]=4 886 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2Br)I 62a_100010254545_100000185368 [0,2,0,0,0,0|2,0,0]=4 887 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2Cl)Br 62a_100000185368_100012349491 [0,2,0,0,0,0|2,0,0]=4 888 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2Cl)Br 62a_100012349491_100000185368 [0,2,0,0,0,0|2,0,0]=4 889 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2Cl)Cl 62a_100000185368_100000723366 [0,2,0,0,0,0|2,0,0]=4 890 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2Cl)Cl 62a_100000720918_100000185368 [0,2,0,0,0,0|2,0,0]=4 891 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2Cl)F 62a_100000185368_100000696688 [0,2,0,0,0,0|2,0,0]=4 892 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2Cl)F 62a_100000696688_100000185368 [0,2,0,0,0,0|2,0,0]=4 893 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2F)Br 62a_100000185368_100012356506 [0,2,0,0,0,0|2,0,0]=4 894 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2F)Br 62a_100012356506_100000185368 [0,2,0,0,0,0|2,0,0]=4 895 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2F)Cl 62a_100000185368_100000716733 [0,2,0,0,0,0|2,0,0]=4 896 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2F)Cl 62a_100000716733_100000185368 [0,2,0,0,0,0|2,0,0]=4 897 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2F)F 62a_100000185368_100000217499 [0,2,0,0,0,0|2,0,0]=4 898 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2F)F 62a_100000217499_100000185368 [0,2,0,0,0,0|2,0,0]=4 899 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2I)F 62a_100000185368_100010149603 [0,2,0,0,0,0|2,0,0]=4 900 B20R2.635478 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2I)F 62a_100010149603_100000185368 [0,2,0,0,0,0|2,0,0]=4 901 B20R2.657986 Cc1cc(ccc1CNc2cn(c(=O)[nH]c2=O)C)Br 27a_100000753881_100000185368 [0,2,0,0,0,0|2,0,0]=4 902 B20R2.657986 Cc1cc(ccc1CNc2cn(c(=O)[nH]c2=O)C)Cl 27a_103436540063_100000185368 [0,2,0,0,0,0|2,0,0]=4 903 B20R2.657986 Cc1cc(ccc1CNc2cn(c(=O)[nH]c2=O)C)F 27a_100137329023_100000185368 [0,2,0,0,0,0|2,0,0]=4 904 B20R2.657986 Cc1cc(ccc1CSc2cn(c(=O)[nH]c2=O)C)Br 62a_100000185368_100000708836 [0,2,0,0,0,0|2,0,0]=4 905 B20R2.657986 Cc1cc(ccc1CSc2cn(c(=O)[nH]c2=O)C)Br 62a_100000708836_100000185368 [0,2,0,0,0,0|2,0,0]=4 906 B20R2.657986 Cc1cc(ccc1CSc2cn(c(=O)[nH]c2=O)C)Cl 62a_100000185368_100012361307 [0,2,0,0,0,0|2,0,0]=4 907 B20R2.657986 Cc1cc(ccc1CSc2cn(c(=O)[nH]c2=O)C)Cl 62a_100012361307_100000185368 [0,2,0,0,0,0|2,0,0]=4 908 B20R2.657986 Cc1cc(ccc1CSc2cn(c(=O)[nH]c2=O)C)F 62a_100000185368_100000700533 [0,2,0,0,0,0|2,0,0]=4 909 B20R2.657986 Cc1cc(ccc1CSc2cn(c(=O)[nH]c2=O)C)F 62a_100000700533_100000185368 [0,2,0,0,0,0|2,0,0]=4 910 B20R2.657986 Cc1ccc(c(c1)C)CNc2cn(c(=O)[nH]c2=O)C 27a_100000737523_100000185368 [0,2,0,0,0,0|2,0,0]=4 911 B20R2.657986 Cc1ccc(c(c1)C)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100011219618 [0,2,0,0,0,0|2,0,0]=4 912 B20R2.657986 Cc1ccc(c(c1)C)CSc2cn(c(=O)[nH]c2=O)C 62a_100011219618_100000185368 [0,2,0,0,0,0|2,0,0]=4 913 B20R2.657986 Cc1ccc(c(c1)Cl)CNc2cn(c(=O)[nH]c2=O)C 27a_100011997539_100000185368 [0,2,0,0,0,0|2,0,0]=4 914 B20R2.657986 Cc1ccc(c(c1)Cl)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100012349684 [0,2,0,0,0,0|2,0,0]=4 915 B20R2.657986 Cc1ccc(c(c1)Cl)CSc2cn(c(=O)[nH]c2=O)C 62a_100012349684_100000185368 [0,2,0,0,0,0|2,0,0]=4 916 B20R2.657986 Cc1ccc(c(c1)F)CNc2cn(c(=O)[nH]c2=O)C 27a_100102887089_100000185368 [0,2,0,0,0,0|2,0,0]=4 917 B20R2.657986 Cc1ccc(c(c1)F)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100011217900 [0,2,0,0,0,0|2,0,0]=4 918 B20R2.657986 Cc1ccc(c(c1)F)CSc2cn(c(=O)[nH]c2=O)C 62a_100011217900_100000185368 [0,2,0,0,0,0|2,0,0]=4 919 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cc2Br)Cl 27a_100102692131_100000185368 [0,2,0,0,0,0|2,0,0]=4 920 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cc2Br)F 27a_100000708791_100000185368 [0,2,0,0,0,0|2,0,0]=4 921 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cc2Cl)Br 27a_100020628970_100000185368 [0,2,0,0,0,0|2,0,0]=4 922 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cc2Cl)Cl 27a_100000174880_100000185368 [0,2,0,0,0,0|2,0,0]=4 923 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cc2Cl)F 27a_100000174946_100000185368 [0,2,0,0,0,0|2,0,0]=4 924 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cc2Cl)O 27a_200161156549_100000185368 [0,2,0,0,0,0|2,0,0]=4 925 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cc2F)Br 27a_100000754580_100000185368 [0,2,0,0,0,0|2,0,0]=4 926 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cc2F)Cl 27a_100000708496_100000185368 [0,2,0,0,0,0|2,0,0]=4 927 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cc2F)F 27a_100000737868_100000185368 [0,2,0,0,0,0|2,0,0]=4 928 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2Br)Br 62a_100000185368_200012351560 [0,2,0,0,0,0|2,0,0]=4 929 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2Br)Br 62a_200012351560_100000185368 [0,2,0,0,0,0|2,0,0]=4 930 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2Br)Cl 62a_100000185368_100000755608 [0,2,0,0,0,0|2,0,0]=4 931 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2Br)Cl 62a_100000755608_100000185368 [0,2,0,0,0,0|2,0,0]=4 932 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2Br)F 62a_100000185368_100000243222 [0,2,0,0,0,0|2,0,0]=4 933 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2Br)F 62a_100000243222_100000185368 [0,2,0,0,0,0|2,0,0]=4 934 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2Br)I 62a_100000185368_100010146610 [0,2,0,0,0,0|2,0,0]=4 935 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2Br)I 62a_100010146610_100000185368 [0,2,0,0,0,0|2,0,0]=4 936 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2Cl)Br 62a_100000185368_100011740631 [0,2,0,0,0,0|2,0,0]=4 937 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2Cl)Br 62a_100011740631_100000185368 [0,2,0,0,0,0|2,0,0]=4 938 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2Cl)Cl 62a_100000185368_100000188473 [0,2,0,0,0,0|2,0,0]=4 939 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2Cl)Cl 62a_100000188473_100000185368 [0,2,0,0,0,0|2,0,0]=4 940 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2Cl)F 62a_100000185368_100000187853 [0,2,0,0,0,0|2,0,0]=4 941 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2Cl)F 62a_100000187853_100000185368 [0,2,0,0,0,0|2,0,0]=4 942 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2F)Br 62a_100000185368_100000211606 [0,2,0,0,0,0|2,0,0]=4 943 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2F)Br 62a_100000211606_100000185368 [0,2,0,0,0,0|2,0,0]=4 944 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2F)Cl 62a_100000185368_100000709361 [0,2,0,0,0,0|2,0,0]=4 945 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2F)Cl 62a_100000709361_100000185368 [0,2,0,0,0,0|2,0,0]=4 946 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2F)F 62a_100000185368_100000748237 [0,2,0,0,0,0|2,0,0]=4 947 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2F)F 62a_100000748237_100000185368 [0,2,0,0,0,0|2,0,0]=4 948 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2F)I 62a_100000185368_100010244991 [0,2,0,0,0,0|2,0,0]=4 949 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2F)I 62a_100010244991_100000185368 [0,2,0,0,0,0|2,0,0]=4 950 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2I)Br 62a_100000185368_100010146615 [0,2,0,0,0,0|2,0,0]=4 951 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2I)Br 62a_100010146615_100000185368 [0,2,0,0,0,0|2,0,0]=4 952 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2I)Cl 62a_100000185368_100010254388 [0,2,0,0,0,0|2,0,0]=4 953 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2I)Cl 62a_100010254388_100000185368 [0,2,0,0,0,0|2,0,0]=4 954 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2I)F 62a_100000185368_100012354799 [0,2,0,0,0,0|2,0,0]=4 955 B20R2.657986 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2I)F 62a_100012354799_100000185368 [0,2,0,0,0,0|2,0,0]=4 956 B20R2.658734 Cc1ccc(c(c1)CNc2cn(c(=O)[nH]c2=O)C)C 27a_100000174964_100000185368 [0,2,0,0,0,0|2,0,0]=4 957 B20R2.658734 Cc1ccc(c(c1)CNc2cn(c(=O)[nH]c2=O)C)Cl 27a_100025705715_100000185368 [0,2,0,0,0,0|2,0,0]=4 958 B20R2.658734 Cc1ccc(c(c1)CNc2cn(c(=O)[nH]c2=O)C)F 27a_100102693586_100000185368 [0,2,0,0,0,0|2,0,0]=4 959 B20R2.658734 Cc1ccc(c(c1)CSc2cn(c(=O)[nH]c2=O)C)C 62a_100000184699_100000185368 [0,2,0,0,0,0|2,0,0]=4 960 B20R2.658734 Cc1ccc(c(c1)CSc2cn(c(=O)[nH]c2=O)C)C 62a_100000185368_100000184699 [0,2,0,0,0,0|2,0,0]=4 961 B20R2.658734 Cc1ccc(c(c1)CSc2cn(c(=O)[nH]c2=O)C)Cl 62a_100000185368_100009871730 [0,2,0,0,0,0|2,0,0]=4 962 B20R2.658734 Cc1ccc(c(c1)CSc2cn(c(=O)[nH]c2=O)C)Cl 62a_100009871730_100000185368 [0,2,0,0,0,0|2,0,0]=4 963 B20R2.658734 Cc1ccc(c(c1)CSc2cn(c(=O)[nH]c2=O)C)F 62a_100000185368_100011260760 [0,2,0,0,0,0|2,0,0]=4 964 B20R2.658734 Cc1ccc(c(c1)CSc2cn(c(=O)[nH]c2=O)C)F 62a_100011260760_100000185368 [0,2,0,0,0,0|2,0,0]=4 965 B20R2.658734 Cc1ccc(cc1CNc2cn(c(=O)[nH]c2=O)C)Cl 27a_100000717755_100000185368 [0,2,0,0,0,0|2,0,0]=4 966 B20R2.658734 Cc1ccc(cc1CNc2cn(c(=O)[nH]c2=O)C)F 27a_100011217291_100000185368 [0,2,0,0,0,0|2,0,0]=4 967 B20R2.658734 Cc1ccc(cc1CNc2cn(c(=O)[nH]c2=O)C)O 27a_200009844824_100000185368 [0,2,0,0,0,0|2,0,0]=4 968 B20R2.658734 Cc1ccc(cc1CSc2cn(c(=O)[nH]c2=O)C)Cl 62a_100000185368_100012186985 [0,2,0,0,0,0|2,0,0]=4 969 B20R2.658734 Cc1ccc(cc1CSc2cn(c(=O)[nH]c2=O)C)Cl 62a_100012186985_100000185368 [0,2,0,0,0,0|2,0,0]=4 970 B20R2.658734 Cc1ccc(cc1CSc2cn(c(=O)[nH]c2=O)C)F 62a_100000185368_100000709795 [0,2,0,0,0,0|2,0,0]=4 971 B20R2.658734 Cc1ccc(cc1CSc2cn(c(=O)[nH]c2=O)C)F 62a_100000709795_100000185368 [0,2,0,0,0,0|2,0,0]=4 972 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)NCc2cc(ccc2Br)Br 27a_100000707832_100000185368 [0,2,0,0,0,0|2,0,0]=4 973 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)NCc2cc(ccc2Br)F 27a_100000742738_100000185368 [0,2,0,0,0,0|2,0,0]=4 974 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)NCc2cc(ccc2Cl)Br 27a_100025772652_100000185368 [0,2,0,0,0,0|2,0,0]=4 975 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)NCc2cc(ccc2Cl)Cl 27a_100102946428_100000185368 [0,2,0,0,0,0|2,0,0]=4 976 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)NCc2cc(ccc2Cl)F 27a_100011830483_100000185368 [0,2,0,0,0,0|2,0,0]=4 977 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)NCc2cc(ccc2F)Br 27a_100009815772_100000185368 [0,2,0,0,0,0|2,0,0]=4 978 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)NCc2cc(ccc2F)Cl 27a_100011211646_100000185368 [0,2,0,0,0,0|2,0,0]=4 979 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)NCc2cc(ccc2F)F 27a_100000752317_100000185368 [0,2,0,0,0,0|2,0,0]=4 980 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)NCc2cc(ccc2O)Br 27a_100000730032_100000185368 [0,2,0,0,0,0|2,0,0]=4 981 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)NCc2cc(ccc2O)Cl 27a_100000238540_100000185368 [0,2,0,0,0,0|2,0,0]=4 982 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2Br)Br 62a_100000185368_100011982794 [0,2,0,0,0,0|2,0,0]=4 983 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2Br)Br 62a_100011982794_100000185368 [0,2,0,0,0,0|2,0,0]=4 984 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2Br)Cl 62a_100000185368_100000733903 [0,2,0,0,0,0|2,0,0]=4 985 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2Br)Cl 62a_100000733903_100000185368 [0,2,0,0,0,0|2,0,0]=4 986 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2Br)F 62a_100000185368_100000736370 [0,2,0,0,0,0|2,0,0]=4 987 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2Br)F 62a_100000736370_100000185368 [0,2,0,0,0,0|2,0,0]=4 988 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2Br)I 62a_100000185368_100012355412 [0,2,0,0,0,0|2,0,0]=4 989 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2Br)I 62a_100012355412_100000185368 [0,2,0,0,0,0|2,0,0]=4 990 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2Cl)Br 62a_100000185368_100000763347 [0,2,0,0,0,0|2,0,0]=4 991 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2Cl)Br 62a_100000763347_100000185368 [0,2,0,0,0,0|2,0,0]=4 992 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2Cl)Cl 62a_100000185368_100000756322 [0,2,0,0,0,0|2,0,0]=4 993 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2Cl)Cl 62a_100000756322_100000185368 [0,2,0,0,0,0|2,0,0]=4 994 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2Cl)F 62a_100000185368_100000709952 [0,2,0,0,0,0|2,0,0]=4 995 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2Cl)F 62a_100000709952_100000185368 [0,2,0,0,0,0|2,0,0]=4 996 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2Cl)I 62a_100000185368_100010188191 [0,2,0,0,0,0|2,0,0]=4 997 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2Cl)I 62a_100010188191_100000185368 [0,2,0,0,0,0|2,0,0]=4 998 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2F)Br 62a_100000185368_100000736399 [0,2,0,0,0,0|2,0,0]=4 999 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2F)Br 62a_100000736399_100000185368 [0,2,0,0,0,0|2,0,0]=4 1000 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2F)Cl 62a_100000185368_100000716957 [0,2,0,0,0,0|2,0,0]=4 1001 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2F)Cl 62a_100000716957_100000185368 [0,2,0,0,0,0|2,0,0]=4 1002 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2F)F 62a_100000185368_100000685659 [0,2,0,0,0,0|2,0,0]=4 1003 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2F)F 62a_100000685659_100000185368 [0,2,0,0,0,0|2,0,0]=4 1004 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2F)I 62a_100000185368_200010149601 [0,2,0,0,0,0|2,0,0]=4 1005 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2F)I 62a_200010149601_100000185368 [0,2,0,0,0,0|2,0,0]=4 1006 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2I)Br 62a_100000185368_100012362523 [0,2,0,0,0,0|2,0,0]=4 1007 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2I)Br 62a_100012362523_100000185368 [0,2,0,0,0,0|2,0,0]=4 1008 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2I)Cl 62a_100000185368_100012348826 [0,2,0,0,0,0|2,0,0]=4 1009 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2I)Cl 62a_100012348826_100000185368 [0,2,0,0,0,0|2,0,0]=4 1010 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2I)F 62a_100000185368_100010149606 [0,2,0,0,0,0|2,0,0]=4 1011 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2I)F 62a_100010149606_100000185368 [0,2,0,0,0,0|2,0,0]=4 1012 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2O)F 62a_100000185368_100010161318 [0,2,0,0,0,0|2,0,0]=4 1013 B20R2.658734 Cn1cc(c(=O)[nH]c1=O)SCc2cc(ccc2O)F 62a_100010161318_100000185368 [0,2,0,0,0,0|2,0,0]=4 1014 B20R2.2881177 Cc1cccc(c1CNc2cn(c(=O)[nH]c2=O)C)C 27a_100000689800_100000185368 [0,2,0,0,0,0|2,0,0]=4 1015 B20R2.2881177 Cc1cccc(c1CNc2cn(c(=O)[nH]c2=O)C)F 27a_100000762012_100000185368 [0,2,0,0,0,0|2,0,0]=4 1016 B20R2.2881177 Cc1cccc(c1CSc2cn(c(=O)[nH]c2=O)C)Br 62a_100000185368_100010146847 [0,2,0,0,0,0|2,0,0]=4 1017 B20R2.2881177 Cc1cccc(c1CSc2cn(c(=O)[nH]c2=O)C)Br 62a_100010146847_100000185368 [0,2,0,0,0,0|2,0,0]=4 1018 B20R2.2881177 Cc1cccc(c1CSc2cn(c(=O)[nH]c2=O)C)C 62a_100000185368_100000758300 [0,2,0,0,0,0|2,0,0]=4 1019 B20R2.2881177 Cc1cccc(c1CSc2cn(c(=O)[nH]c2=O)C)C 62a_100000758300_100000185368 [0,2,0,0,0,0|2,0,0]=4 1020 B20R2.2881177 Cc1cccc(c1CSc2cn(c(=O)[nH]c2=O)C)F 62a_100000185368_100009814554 [0,2,0,0,0,0|2,0,0]=4 1021 B20R2.2881177 Cc1cccc(c1CSc2cn(c(=O)[nH]c2=O)C)F 62a_100009814554_100000185368 [0,2,0,0,0,0|2,0,0]=4 1022 B20R2.2881177 Cc1cccc(c1CSc2cn(c(=O)[nH]c2=O)C)I 62a_100000185368_100010150146 [0,2,0,0,0,0|2,0,0]=4 1023 B20R2.2881177 Cc1cccc(c1CSc2cn(c(=O)[nH]c2=O)C)I 62a_100010150146_100000185368 [0,2,0,0,0,0|2,0,0]=4 1024 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)NCc2c(cccc2Br)F 27a_100012349121_100000185368 [0,2,0,0,0,0|2,0,0]=4 1025 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)NCc2c(cccc2Cl)Cl 27a_100000174884_100000185368 [0,2,0,0,0,0|2,0,0]=4 1026 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)NCc2c(cccc2Cl)F 27a_100000174883_100000185368 [0,2,0,0,0,0|2,0,0]=4 1027 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)NCc2c(cccc2F)F 27a_100000688400_100000185368 [0,2,0,0,0,0|2,0,0]=4 1028 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)SCc2c(cccc2Br)Cl 62a_100000185368_100010138402 [0,2,0,0,0,0|2,0,0]=4 1029 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)SCc2c(cccc2Br)Cl 62a_100010138402_100000185368 [0,2,0,0,0,0|2,0,0]=4 1030 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)SCc2c(cccc2Br)F 62a_100000185368_100012145669 [0,2,0,0,0,0|2,0,0]=4 1031 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)SCc2c(cccc2Br)F 62a_100012145669_100000185368 [0,2,0,0,0,0|2,0,0]=4 1032 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)SCc2c(cccc2Cl)Cl 62a_100000185368_100000187851 [0,2,0,0,0,0|2,0,0]=4 1033 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)SCc2c(cccc2Cl)Cl 62a_100000187851_100000185368 [0,2,0,0,0,0|2,0,0]=4 1034 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)SCc2c(cccc2Cl)F 62a_100000185368_100000187852 [0,2,0,0,0,0|2,0,0]=4 1035 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)SCc2c(cccc2Cl)F 62a_100000187852_100000185368 [0,2,0,0,0,0|2,0,0]=4 1036 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)SCc2c(cccc2F)F 62a_100000185368_100000698325 [0,2,0,0,0,0|2,0,0]=4 1037 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)SCc2c(cccc2F)F 62a_100000709179_100000185368 [0,2,0,0,0,0|2,0,0]=4 1038 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)SCc2c(cccc2I)Br 62a_100000185368_100010146611 [0,2,0,0,0,0|2,0,0]=4 1039 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)SCc2c(cccc2I)Br 62a_100010146611_100000185368 [0,2,0,0,0,0|2,0,0]=4 1040 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)SCc2c(cccc2I)F 62a_100000185368_100010149602 [0,2,0,0,0,0|2,0,0]=4 1041 B20R2.2881177 Cn1cc(c(=O)[nH]c1=O)SCc2c(cccc2I)F 62a_100010149602_100000185368 [0,2,0,0,0,0|2,0,0]=4 1042 B20R2.84836 C#Cc1ccc(cc1)CNc2cn(c(=O)[nH]c2=O)C 27a_100015199678_100000185368 [0,2,0,0,0,0|2,0,0]=4 1043 B20R2.84836 C#Cc1ccc(cc1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000140223 [0,2,0,0,0,0|2,0,0]=4 1044 B20R2.84836 C=Cc1ccc(cc1)CNc2cn(c(=O)[nH]c2=O)C 27a_200011934891_100000185368 [0,2,0,0,0,0|2,0,0]=4 1045 B20R2.84836 C=Cc1ccc(cc1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000034074_100000185368 [0,2,0,0,0,0|2,0,0]=4 1046 B20R2.84836 C=Cc1ccc(cc1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000034074 [0,2,0,0,0,0|2,0,0]=4 1047 B20R2.84836 CCc1ccc(cc1)CNc2cn(c(=O)[nH]c2=O)C 27a_100000721222_100000185368 [0,2,0,0,0,0|2,0,0]=4 1048 B20R2.84836 CCc1ccc(cc1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000747183 [0,2,0,0,0,0|2,0,0]=4 1049 B20R2.84836 CCc1ccc(cc1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000757233_100000185368 [0,2,0,0,0,0|2,0,0]=4 1050 B20R2.84836 COc1ccc(cc1)CNc2cn(c(=O)[nH]c2=O)C 27a_100000185587_100000185368 [0,2,0,0,0,0|2,0,0]=4 1051 B20R2.84836 COc1ccc(cc1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000742318 [0,2,0,0,0,0|2,0,0]=4 1052 B20R2.84836 CSc1ccc(cc1)CNc2cn(c(=O)[nH]c2=O)C 27a_100000174980_100000185368 [0,2,0,0,0,0|2,0,0]=4 1053 B20R2.84836 CSc1ccc(cc1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000181263_100000185368 [0,2,0,0,0,0|2,0,0]=4 1054 B20R2.84836 CSc1ccc(cc1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000181263 [0,2,0,0,0,0|2,0,0]=4 1055 B20R2.84836 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cc2)C#N 27a_100015207190_100000185368 [0,2,0,0,0,0|2,0,0]=4 1056 B20R2.84836 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(cc2)CO 27a_100015189231_100000185368 [0,2,0,0,0,0|2,0,0]=4 1057 B20R2.84836 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2)C#N 62a_100000185368_100000184898 [0,2,0,0,0,0|2,0,0]=4 1058 B20R2.84836 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2)C=O 62a_100000185368_100009816848 [0,2,0,0,0,0|2,0,0]=4 1059 B20R2.84836 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2)C=O 62a_100009816848_100000185368 [0,2,0,0,0,0|2,0,0]=4 1060 B20R2.84836 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2)CO 62a_100000067286_100000185368 [0,2,0,0,0,0|2,0,0]=4 1061 B20R2.84836 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(cc2)CO 62a_100000185368_100000067286 [0,2,0,0,0,0|2,0,0]=4 1062 B20R2.237122 Cc1cc(ccc1Br)CNc2cn(c(=O)[nH]c2=O)C 27a_100015205234_100000185368 [0,2,0,0,0,0|2,0,0]=4 1063 B20R2.237122 Cc1cc(ccc1Br)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000727479 [0,2,0,0,0,0|2,0,0]=4 1064 B20R2.237122 Cc1cc(ccc1Br)CSc2cn(c(=O)[nH]c2=O)C 62a_100000727479_100000185368 [0,2,0,0,0,0|2,0,0]=4 1065 B20R2.237122 Cc1cc(ccc1Cl)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100012184735 [0,2,0,0,0,0|2,0,0]=4 1066 B20R2.237122 Cc1cc(ccc1Cl)CSc2cn(c(=O)[nH]c2=O)C 62a_100012184735_100000185368 [0,2,0,0,0,0|2,0,0]=4 1067 B20R2.237122 Cc1cc(ccc1F)CNc2cn(c(=O)[nH]c2=O)C 27a_100000239911_100000185368 [0,2,0,0,0,0|2,0,0]=4 1068 B20R2.237122 Cc1cc(ccc1F)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100011216667 [0,2,0,0,0,0|2,0,0]=4 1069 B20R2.237122 Cc1cc(ccc1F)CSc2cn(c(=O)[nH]c2=O)C 62a_100011216667_100000185368 [0,2,0,0,0,0|2,0,0]=4 1070 B20R2.237122 Cc1ccc(cc1Br)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100012232412 [0,2,0,0,0,0|2,0,0]=4 1071 B20R2.237122 Cc1ccc(cc1Br)CSc2cn(c(=O)[nH]c2=O)C 62a_100012232412_100000185368 [0,2,0,0,0,0|2,0,0]=4 1072 B20R2.237122 Cc1ccc(cc1C)CNc2cn(c(=O)[nH]c2=O)C 27a_100025706692_100000185368 [0,2,0,0,0,0|2,0,0]=4 1073 B20R2.237122 Cc1ccc(cc1C)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000742320 [0,2,0,0,0,0|2,0,0]=4 1074 B20R2.237122 Cc1ccc(cc1C)CSc2cn(c(=O)[nH]c2=O)C 62a_100000742320_100000185368 [0,2,0,0,0,0|2,0,0]=4 1075 B20R2.237122 Cc1ccc(cc1Cl)CNc2cn(c(=O)[nH]c2=O)C 27a_102495364989_100000185368 [0,2,0,0,0,0|2,0,0]=4 1076 B20R2.237122 Cc1ccc(cc1Cl)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100011823929 [0,2,0,0,0,0|2,0,0]=4 1077 B20R2.237122 Cc1ccc(cc1Cl)CSc2cn(c(=O)[nH]c2=O)C 62a_100011823929_100000185368 [0,2,0,0,0,0|2,0,0]=4 1078 B20R2.237122 Cc1ccc(cc1F)CNc2cn(c(=O)[nH]c2=O)C 27a_100102708794_100000185368 [0,2,0,0,0,0|2,0,0]=4 1079 B20R2.237122 Cc1ccc(cc1F)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100011217369 [0,2,0,0,0,0|2,0,0]=4 1080 B20R2.237122 Cc1ccc(cc1F)CSc2cn(c(=O)[nH]c2=O)C 62a_100011217369_100000185368 [0,2,0,0,0,0|2,0,0]=4 1081 B20R2.237122 Cc1ccc(cc1I)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100010206137 [0,2,0,0,0,0|2,0,0]=4 1082 B20R2.237122 Cc1ccc(cc1I)CSc2cn(c(=O)[nH]c2=O)C 62a_100010206137_100000185368 [0,2,0,0,0,0|2,0,0]=4 1083 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(c(c2)Br)Br 27a_100012351559_100000185368 [0,2,0,0,0,0|2,0,0]=4 1084 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(c(c2)Br)Cl 27a_100012349490_100000185368 [0,2,0,0,0,0|2,0,0]=4 1085 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(c(c2)Br)F 27a_100015193890_100000185368 [0,2,0,0,0,0|2,0,0]=4 1086 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(c(c2)Cl)Br 27a_100012362553_100000185368 [0,2,0,0,0,0|2,0,0]=4 1087 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(c(c2)Cl)Cl 27a_100000174881_100000185368 [0,2,0,0,0,0|2,0,0]=4 1088 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(c(c2)Cl)F 27a_100000749334_100000185368 [0,2,0,0,0,0|2,0,0]=4 1089 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(c(c2)F)Br 27a_100000755036_100000185368 [0,2,0,0,0,0|2,0,0]=4 1090 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(c(c2)F)Cl 27a_100011219866_100000185368 [0,2,0,0,0,0|2,0,0]=4 1091 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(c(c2)F)F 27a_100000737897_100000185368 [0,2,0,0,0,0|2,0,0]=4 1092 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(c(c2)F)O 27a_100000758358_100000185368 [0,2,0,0,0,0|2,0,0]=4 1093 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(c(c2)O)Cl 27a_100020636435_100000185368 [0,2,0,0,0,0|2,0,0]=4 1094 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(c(c2)O)F 27a_100160469508_100000185368 [0,2,0,0,0,0|2,0,0]=4 1095 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)NCc2ccc(c(c2)O)O 27a_100000010075_100000185368 [0,2,0,0,0,0|2,0,0]=4 1096 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)Br)Br 62a_100000185368_100012353900 [0,2,0,0,0,0|2,0,0]=4 1097 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)Br)Br 62a_100012353900_100000185368 [0,2,0,0,0,0|2,0,0]=4 1098 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)Br)Cl 62a_100000185368_100012353894 [0,2,0,0,0,0|2,0,0]=4 1099 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)Br)Cl 62a_100012353894_100000185368 [0,2,0,0,0,0|2,0,0]=4 1100 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)Br)F 62a_100000185368_100011206884 [0,2,0,0,0,0|2,0,0]=4 1101 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)Br)F 62a_100011206884_100000185368 [0,2,0,0,0,0|2,0,0]=4 1102 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)Cl)Br 62a_100000185368_100012353895 [0,2,0,0,0,0|2,0,0]=4 1103 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)Cl)Br 62a_100012353895_100000185368 [0,2,0,0,0,0|2,0,0]=4 1104 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)Cl)Cl 62a_100000184707_100000185368 [0,2,0,0,0,0|2,0,0]=4 1105 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)Cl)Cl 62a_100000185368_100000184707 [0,2,0,0,0,0|2,0,0]=4 1106 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)Cl)F 62a_100000185368_100011934319 [0,2,0,0,0,0|2,0,0]=4 1107 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)Cl)F 62a_100000717365_100000185368 [0,2,0,0,0,0|2,0,0]=4 1108 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)Cl)I 62a_100000185368_100012349665 [0,2,0,0,0,0|2,0,0]=4 1109 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)Cl)I 62a_100012349665_100000185368 [0,2,0,0,0,0|2,0,0]=4 1110 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)F)Br 62a_100000185368_100000767054 [0,2,0,0,0,0|2,0,0]=4 1111 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)F)Br 62a_100000767054_100000185368 [0,2,0,0,0,0|2,0,0]=4 1112 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)F)Cl 62a_100000185368_100000716492 [0,2,0,0,0,0|2,0,0]=4 1113 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)F)Cl 62a_100000716492_100000185368 [0,2,0,0,0,0|2,0,0]=4 1114 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)F)F 62a_100000185368_100000757363 [0,2,0,0,0,0|2,0,0]=4 1115 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)F)F 62a_100000757363_100000185368 [0,2,0,0,0,0|2,0,0]=4 1116 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)F)I 62a_100000185368_100010149604 [0,2,0,0,0,0|2,0,0]=4 1117 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)F)I 62a_100010149604_100000185368 [0,2,0,0,0,0|2,0,0]=4 1118 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)I)Br 62a_100000185368_100010146616 [0,2,0,0,0,0|2,0,0]=4 1119 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)I)Br 62a_100010146616_100000185368 [0,2,0,0,0,0|2,0,0]=4 1120 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)I)F 62a_100000185368_100010188208 [0,2,0,0,0,0|2,0,0]=4 1121 B20R2.237122 Cn1cc(c(=O)[nH]c1=O)SCc2ccc(c(c2)I)F 62a_100010188208_100000185368 [0,2,0,0,0,0|2,0,0]=4 1122 B20R2.1878194 COc1cccc(c1)CNc2cn(c(=O)[nH]c2=O)C 27a_100000174954_100000185368 [0,2,0,0,0,0|2,0,0]=4 1123 B20R2.1878194 COc1cccc(c1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000185368_100000211672 [0,2,0,0,0,0|2,0,0]=4 1124 B20R2.1878194 COc1cccc(c1)CSc2cn(c(=O)[nH]c2=O)C 62a_100000688526_100000185368 [0,2,0,0,0,0|2,0,0]=4 1125 B20R2.1878194 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(c2)C#N 27a_100000755147_100000185368 [0,2,0,0,0,0|2,0,0]=4 1126 B20R2.1878194 Cn1cc(c(=O)[nH]c1=O)NCc2cccc(c2)CO 27a_100011269909_100000185368 [0,2,0,0,0,0|2,0,0]=4 1127 B20R2.1878194 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2)C#N 62a_100000185368_100000233786 [0,2,0,0,0,0|2,0,0]=4 1128 B20R2.1878194 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2)C=O 62a_100000185368_100009816774 [0,2,0,0,0,0|2,0,0]=4 1129 B20R2.1878194 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2)C=O 62a_100009816774_100000185368 [0,2,0,0,0,0|2,0,0]=4 1130 B20R2.1878194 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2)CO 62a_100000185368_100010188025 [0,2,0,0,0,0|2,0,0]=4 1131 B20R2.1878194 Cn1cc(c(=O)[nH]c1=O)SCc2cccc(c2)CO 62a_100010188025_100000185368 [0,2,0,0,0,0|2,0,0]=4 1132 B20R2.2657668 Cc1cc(cc(c1)CNc2cn(c(=O)[nH]c2=O)C)C 27a_100020591340_100000185368 [0,2,0,0,0,0|2,0,0]=4 1133 B20R2.2657668 Cc1cc(cc(c1)CNc2cn(c(=O)[nH]c2=O)C)F 27a_100011830484_100000185368 [0,2,0,0,0,0|2,0,0]=4 1134 B20R2.2657668 Cc1cc(cc(c1)CSc2cn(c(=O)[nH]c2=O)C)Br 62a_100000185368_100012348363 [0,2,0,0,0,0|2,0,0]=4 1135 B20R2.2657668 Cc1cc(cc(c1)CSc2cn(c(=O)[nH]c2=O)C)Br 62a_100012348363_100000185368 [0,2,0,0,0,0|2,0,0]=4 1136 B20R2.2657668 Cc1cc(cc(c1)CSc2cn(c(=O)[nH]c2=O)C)C 62a_100000181317_100000185368 [0,2,0,0,0,0|2,0,0]=4 1137 B20R2.2657668 Cc1cc(cc(c1)CSc2cn(c(=O)[nH]c2=O)C)C 62a_100000185368_100000181317 [0,2,0,0,0,0|2,0,0]=4 1138 B20R2.2657668 Cc1cc(cc(c1)CSc2cn(c(=O)[nH]c2=O)C)F 62a_100000185368_100011219130 [0,2,0,0,0,0|2,0,0]=4 1139 B20R2.2657668 Cc1cc(cc(c1)CSc2cn(c(=O)[nH]c2=O)C)F 62a_100011219130_100000185368 [0,2,0,0,0,0|2,0,0]=4 1140 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)NCc2cc(cc(c2)Br)Br 27a_100015211796_100000185368 [0,2,0,0,0,0|2,0,0]=4 1141 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)NCc2cc(cc(c2)Br)F 27a_100020611034_100000185368 [0,2,0,0,0,0|2,0,0]=4 1142 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)NCc2cc(cc(c2)Cl)Cl 27a_100011211636_100000185368 [0,2,0,0,0,0|2,0,0]=4 1143 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)NCc2cc(cc(c2)Cl)F 27a_100137329012_100000185368 [0,2,0,0,0,0|2,0,0]=4 1144 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)NCc2cc(cc(c2)Cl)O 27a_107254831445_100000185368 [0,2,0,0,0,0|2,0,0]=4 1145 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)NCc2cc(cc(c2)F)F 27a_100000737602_100000185368 [0,2,0,0,0,0|2,0,0]=4 1146 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)NCc2cc(cc(c2)F)O 27a_100160469513_100000185368 [0,2,0,0,0,0|2,0,0]=4 1147 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)NCc2cc(cc(c2)O)O 27a_100159270720_100000185368 [0,2,0,0,0,0|2,0,0]=4 1148 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)SCc2cc(cc(c2)Br)Br 62a_100000185368_100011216082 [0,2,0,0,0,0|2,0,0]=4 1149 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)SCc2cc(cc(c2)Br)Br 62a_100011216082_100000185368 [0,2,0,0,0,0|2,0,0]=4 1150 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)SCc2cc(cc(c2)Br)F 62a_100000185368_100000766940 [0,2,0,0,0,0|2,0,0]=4 1151 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)SCc2cc(cc(c2)Br)F 62a_100000766940_100000185368 [0,2,0,0,0,0|2,0,0]=4 1152 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)SCc2cc(cc(c2)Cl)Cl 62a_100000185368_100011219208 [0,2,0,0,0,0|2,0,0]=4 1153 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)SCc2cc(cc(c2)Cl)Cl 62a_100011219208_100000185368 [0,2,0,0,0,0|2,0,0]=4 1154 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)SCc2cc(cc(c2)Cl)F 62a_100000185368_100011219885 [0,2,0,0,0,0|2,0,0]=4 1155 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)SCc2cc(cc(c2)Cl)F 62a_100011219885_100000185368 [0,2,0,0,0,0|2,0,0]=4 1156 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)SCc2cc(cc(c2)F)F 62a_100000185368_100000697002 [0,2,0,0,0,0|2,0,0]=4 1157 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)SCc2cc(cc(c2)F)F 62a_100000697002_100000185368 [0,2,0,0,0,0|2,0,0]=4 1158 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)SCc2cc(cc(c2)I)Br 62a_100000185368_100010146614 [0,2,0,0,0,0|2,0,0]=4 1159 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)SCc2cc(cc(c2)I)Br 62a_100010146614_100000185368 [0,2,0,0,0,0|2,0,0]=4 1160 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)SCc2cc(cc(c2)I)F 62a_100000185368_100010149605 [0,2,0,0,0,0|2,0,0]=4 1161 B20R2.2657668 Cn1cc(c(=O)[nH]c1=O)SCc2cc(cc(c2)I)F 62a_100010149605_100000185368 [0,2,0,0,0,0|2,0,0]=4 1162 B20R3.4873408 Cn1cc(c(=O)[nH]c1=O)SC2Cc3c2cccc3 62a_100000185368_100009813401 [0,0,0,1,0,1|1,0,0]=3 1163 B20R3.4873408 Cn1cc(c(=O)[nH]c1=O)SC2Cc3c2cccc3 62a_100009813401_100000185368 [0,0,0,1,0,1|1,0,0]=3 1164 B20R3.302929 Cn1cc(c(=O)[nH]c1=O)C2=Cc3ccccc3C2 271570a_100010239756_100000185368 [0,1,0,1,0,0|1,0,1]=4 1165 B20R3.302929 Cn1cc(c(=O)[nH]c1=O)N2Cc3ccccc3C2 27a_100000752595_100000185368 [0,1,0,1,0,0|2,0,0]=4 1166 B16R2.124 O=c1[nH]cc(cc1O)Sc2ccccc2 62a_100000719477_100009814561 [1,0,0,0,1,0|2,0,0]=4 1167 B16R2.312 O=c1[nH]nc(c(=O)[nH]1)Nc2ccccc2 27a_100000106764_100000181694 [1,0,0,0,1,0|2,0,0]=4 1168 B16R2.312 O=c1[nH]nc(c(=O)[nH]1)Sc2ccccc2 62a_100000719477_100000181694 [1,0,0,0,1,0|2,0,0]=4 1169 B16R2.3000 O=c1[nH]cc(c(=O)[nH]1)COc2ccsc2 7a_100000106738_100000035367 [1,0,0,0,1,0|2,0,0]=4 1170 B16R2.3000 O=c1[nH]cc(c(=O)[nH]1)CSc2ccco2 62a_100009814098_100000035367 [1,0,0,0,1,0|2,0,0]=4 1171 B16R2.3000 O=c1[nH]cc(c(=O)[nH]1)CSc2cccs2 62a_100011215356_100000035367 [1,0,0,0,1,0|2,0,0]=4 1172 B16R2.3000 O=c1[nH]cc(c(=O)[nH]1)CSc2ccoc2 62a_100011215275_100000035367 [1,0,0,0,1,0|2,0,0]=4 1173 B16R2.3000 O=c1[nH]cc(c(=O)[nH]1)CSc2ccsc2 62a_100000738268_100000035367 [1,0,0,0,1,0|2,0,0]=4 1174 B16R2.309 Cn1cc(c(=O)[nH]c1=O)c2ccccc2 271570a_100011218836_100000185368 [0,0,0,0,2,0|1,0,0]=3 1175 B16R2.309 Cn1cc(c(=O)[nH]c1=O)c2ccccn2 271570a_100011264011_100000185368 [0,0,0,0,2,0|2,0,0]=4 1176 B16R2.309 Cn1cc(c(=O)[nH]c1=O)c2cccnc2 271570a_100000757648_100000185368 [0,0,0,0,2,0|2,0,0]=4 1177 B16R2.309 Cn1cc(c(=O)[nH]c1=O)c2ccncc2 271570a_100000752145_100000185368 [0,0,0,0,2,0|2,0,0]=4 1178 B18R2.4060 Cc1ncc(c(=O)[nH]1)SCCc2ccccc2 62a_100000765856_100011999157 [1,0,0,0,0,1|1,0,1]=4 1179 B18R2.4060 Cc1ncc(c(=O)[nH]1)SCCc2ccccc2 62a_100011999157_100011218657 [1,0,0,0,0,1|1,0,1]=4 1180 B18R2.4060 Nc1[nH]c(=O)ccc1SCCc2ccccc2 62a_100009884077_100011218657 [1,0,0,0,0,1|2,0,0]=4 1181 B18R2.4060 Nc1[nH]c(=O)ncc1SCCc2ccccc2 62a_100000708077_100011218657 [1,0,0,0,0,1|1,0,1]=4 1182 B18R2.4060 Nc1[nH]c(=O)ncc1SCCc2ccccc2 62a_100000765856_100000708077 [1,0,0,0,0,1|1,0,1]=4 1183 B18R2.4060 Nc1ncc(c(=O)[nH]1)SCCc2ccccc2 62a_100012456729_100011218657 [1,0,0,0,0,1|1,0,1]=4 1184 B18R2.4060 O=c1[nH]c(ncc1SCCc2ccccc2)O 62a_100000765856_100011215686 [1,0,0,0,0,1|0,0,2]=4 1185 B18R2.4060 O=c1[nH]cc(c(=O)[nH]1)C=NNc2ccccc2 4a_100015195140_100000031545 [1,0,0,0,0,1|1,0,1]=4 1186 B18R2.4060 O=c1[nH]cc(c(=O)[nH]1)CNCc2ccccc2 2230a_100015324214_100000035367 [1,0,0,0,0,1|0,0,0]=2 1187 B18R2.4060 O=c1[nH]cc(c(=O)[nH]1)CNCc2cccnn2 2230a_100159270163_100000035367 [1,0,0,0,0,1|2,0,0]=4 1188 B18R2.4060 O=c1[nH]cc(c(=O)[nH]1)CNCc2cncnc2 2230a_100011243677_100000035367 [1,0,0,0,0,1|2,0,0]=4 1189 B18R2.4060 O=c1[nH]cc(c(=O)[nH]1)COCc2ccccc2 7a_100000210790_100000035367 [1,0,0,0,0,1|0,0,0]=2 1190 B18R2.4060 O=c1[nH]cc(c(=O)[nH]1)CSCc2ccccc2 62a_100000211182_100000035367 [1,0,0,0,0,1|0,0,0]=2 1191 B18R2.4060 O=c1[nH]cc(c(=O)[nH]1)CSCc2ccccn2 62a_100000721315_100000035367 [1,0,0,0,0,1|1,0,0]=3 1192 B18R2.4060 O=c1[nH]cc(c(=O)[nH]1)CSCc2cccnc2 62a_100000741622_100000035367 [1,0,0,0,0,1|1,0,0]=3 1193 B18R2.4060 O=c1[nH]cc(c(=O)[nH]1)CSCc2cccnn2 62a_100016990269_100000035367 [1,0,0,0,0,1|2,0,0]=4 1194 B18R2.4060 O=c1[nH]cc(c(=O)[nH]1)CSCc2ccncc2 62a_100015193705_100000035367 [1,0,0,0,0,1|1,0,0]=3 1195 B18R2.4060 O=c1[nH]cc(c(=O)[nH]1)CSCc2cnccn2 62a_100016995436_100000035367 [1,0,0,0,0,1|2,0,0]=4 1196 B18R2.4060 O=c1[nH]cc(c(=O)[nH]1)CSCc2cncnc2 62a_100015196519_100000035367 [1,0,0,0,0,1|2,0,0]=4 1197 B18R2.4060 O=c1[nH]cc(c(=O)[nH]1)CSCc2ncccn2 62a_100000703007_100000035367 [1,0,0,0,0,1|2,0,0]=4 1198 B18R2.4060 O=c1[nH]nc(c(=O)[nH]1)C=CCc2ccccc2 271570a_200016263579_100000181694 [1,0,0,0,0,1|1,0,1]=4 1199 B18R2.4060 O=c1[nH]nc(c(=O)[nH]1)NCCc2ccccc2 27a_100000106460_100000181694 [1,0,0,0,0,1|1,0,0]=3 1200 B18R2.4060 O=c1[nH]nc(c(=O)[nH]1)NCCc2ccccn2 27a_100000211156_100000181694 [1,0,0,0,0,1|2,0,0]=4 1201 B18R2.4060 O=c1[nH]nc(c(=O)[nH]1)NCCc2cccnc2 27a_100000736294_100000181694 [1,0,0,0,0,1|2,0,0]=4 1202 B18R2.4060 O=c1[nH]nc(c(=O)[nH]1)NCCc2ccncc2 27a_100000742849_100000181694 [1,0,0,0,0,1|2,0,0]=4 1203 B18R2.4060 O=c1[nH]nc(c(=O)[nH]1)SCCc2ccccc2 62a_100000765856_100000181694 [1,0,0,0,0,1|1,0,0]=3 1204 B18R2.4060 O=c1[nH]nc(c(=O)[nH]1)SCCc2ccccn2 62a_100015183660_100000181694 [1,0,0,0,0,1|2,0,0]=4 1205 B18R2.4060 O=c1[nH]nc(c(=O)[nH]1)SCCc2cccnc2 62a_200011713674_100000181694 [1,0,0,0,0,1|2,0,0]=4 1206 B18R2.4060 O=c1[nH]nc(c(=O)[nH]1)SCCc2ccncc2 62a_100000723409_100000181694 [1,0,0,0,0,1|2,0,0]=4 1207 B18R2.4060 O=c1[nH]nc(c(=O)[nH]1)SCSc2ccccc2 62a_100011218342_100000181694 [1,0,0,0,0,1|2,0,0]=4 1208 B18R2.4060 O=c1cc(c(c[nH]1)SCCc2ccccc2)F 62a_100000765856_100015631685 [1,0,0,0,0,1|2,0,0]=4 1209 B18R2.4060 O=c1cc(c(c[nH]1)SCCc2ccccc2)F 62a_100015631685_100011218657 [1,0,0,0,0,1|2,0,0]=4 1210 B18R2.6544 Cn1ccc(=O)c(c1)SCCc2ccccc2 62a_100000765856_100010750718 [1,0,0,0,0,1|2,0,0]=4 1211 B18R2.6544 Cn1ccc(=O)c(c1)SCCc2ccccc2 62a_100010750718_100011218657 [1,0,0,0,0,1|2,0,0]=4 1212 B18R2.6544 O=c1[nH]cc(cc1CNCc2ccccc2)F 207a_100015324214_100000137007 [1,0,0,0,0,1|2,0,0]=4 1213 B18R2.6544 O=c1[nH]cc(cc1CNCc2ccccc2)F 270004a_100015324214_100000137007 [1,0,0,0,0,1|2,0,0]=4 1214 B18R2.6544 O=c1[nH]cc(cc1SCCc2ccccc2)F 62a_100000765856_100009817720 [1,0,0,0,0,1|2,0,0]=4 1215 B18R2.6544 O=c1[nH]cc(cc1SCCc2ccccc2)F 62a_100009817720_100011218657 [1,0,0,0,0,1|2,0,0]=4 1216 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)NC/C=C/c2ccccc2 27a_100020603302_100000185368 [0,0,0,0,0,2|1,0,1]=4 1217 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)NCCCc2ccccc2 27a_100000211184_100000185368 [0,0,0,0,0,2|1,0,0]=3 1218 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)NCCCc2ccccn2 27a_100000689020_100000185368 [0,0,0,0,0,2|2,0,0]=4 1219 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)NCCCc2cccnc2 27a_100011532358_100000185368 [0,0,0,0,0,2|2,0,0]=4 1220 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)NCCCc2ccncc2 27a_100011275580_100000185368 [0,0,0,0,0,2|2,0,0]=4 1221 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)NCCOc2ccccc2 27a_100000174943_100000185368 [0,0,0,0,0,2|1,0,0]=3 1222 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)NCCOc2ccccn2 27a_106741647558_100000185368 [0,0,0,0,0,2|2,0,0]=4 1223 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)NCCOc2cccnc2 27a_100000754688_100000185368 [0,0,0,0,0,2|2,0,0]=4 1224 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)NCCOc2ccncc2 27a_100025717301_100000185368 [0,0,0,0,0,2|2,0,0]=4 1225 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)NCCSc2ccccc2 27a_100000189519_100000185368 [0,0,0,0,0,2|1,0,0]=3 1226 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)SC/C=C/c2ccccc2 62a_100000185368_100016265936 [0,0,0,0,0,2|1,0,1]=4 1227 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)SC/C=C/c2ccccc2 62a_100016265936_100000185368 [0,0,0,0,0,2|1,0,1]=4 1228 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)SCC#Cc2ccccc2 62a_100000185368_100011352542 [0,0,0,0,0,2|1,0,1]=4 1229 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)SCCCc2ccccc2 62a_100000185368_100000211621 [0,0,0,0,0,2|1,0,0]=3 1230 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)SCCCc2ccccc2 62a_100000211621_100000185368 [0,0,0,0,0,2|1,0,0]=3 1231 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)SCCOc2ccccc2 62a_100000184471_100000185368 [0,0,0,0,0,2|1,0,0]=3 1232 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)SCCOc2ccccc2 62a_100000185368_100000184471 [0,0,0,0,0,2|1,0,0]=3 1233 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)SCCSc2ccccc2 62a_100000185368_100000246102 [0,0,0,0,0,2|1,0,0]=3 1234 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)SCCSc2ccccc2 62a_100000246102_100000185368 [0,0,0,0,0,2|1,0,0]=3 1235 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)SCOCc2ccccc2 62a_100000185368_100000763385 [0,0,0,0,0,2|1,0,0]=3 1236 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)SCOCc2ccccc2 62a_100000763385_100000185368 [0,0,0,0,0,2|1,0,0]=3 1237 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)SCSCc2ccccc2 62a_100000185368_200011217039 [0,0,0,0,0,2|1,0,0]=3 1238 B20R2.155548 Cn1cc(c(=O)[nH]c1=O)SCSCc2ccccc2 62a_200011217039_100000185368 [0,0,0,0,0,2|1,0,0]=3