0 B18R2.14825 CC(C)(C(=O)c1ccccc1)c2ccccc2 1458a_100000185807_100000034625 [0,0,0,0,0,0|2,0,2]=4 1 B18R2.14825 CN(c1ccccc1)C(C)(C)c2ccccc2 2230a_100000210012_100000034625 [0,0,0,0,0,0|4,0,0]=4 2 B18R2.14825 CN(c1ccccc1)C(C)(C)c2ccccc2 269982a_100000210012_100000034625 [0,0,0,0,0,0|4,0,0]=4 3 B17R2.10205 CC(c1cccnc1)N(C)c2cccnn2 27a_100000232774_100016991348 [1,0,0,0,0,0|3,0,0]=4 4 B17R2.10205 CC(c1cccnc1)N(C)c2cnccn2 27a_100000232774_100000211759 [1,0,0,0,0,0|3,0,0]=4 5 B17R2.20249 CC(C)(Nc1cccnn1)c2ccccc2 27a_100011218174_100016991348 [1,0,0,0,0,0|3,0,0]=4 6 B17R2.20249 CC(C)(Nc1cnccn1)c2ccccc2 27a_100011218174_100000211759 [1,0,0,0,0,0|3,0,0]=4 7 B17R2.20249 CC(C)(Sc1ccccc1)c2ccccc2 62a_100000034625_100000041952 [1,0,0,0,0,0|3,0,0]=4 8 B17R2.20249 CC(C)(Sc1ccccc1)c2ccccc2 62a_100000719477_100000034625 [1,0,0,0,0,0|3,0,0]=4 9 B17R2.20249 CC(C)(Sc1cccnc1)c2ccccc2 62a_100000034625_100000210063 [1,0,0,0,0,0|2,0,0]=3 10 B17R2.20249 CC(C)(Sc1cccnc1)c2ccccc2 62a_100000210063_100000034625 [1,0,0,0,0,0|2,0,0]=3 11 B17R2.20249 CC(C)(Sc1cccnn1)c2ccccc2 62a_100000034625_100016991348 [1,0,0,0,0,0|3,0,0]=4 12 B17R2.20249 CC(C)(Sc1cccnn1)c2ccccc2 62a_100016991348_100000034625 [1,0,0,0,0,0|3,0,0]=4 13 B17R2.20249 CC(C)(Sc1ccnnc1)c2ccccc2 62a_100000034625_100000732662 [1,0,0,0,0,0|3,0,0]=4 14 B17R2.20249 CC(C)(Sc1ccnnc1)c2ccccc2 62a_100000732662_100000034625 [1,0,0,0,0,0|3,0,0]=4 15 B17R2.20249 CC(C)(Sc1cnccn1)c2ccccc2 62a_100000034625_100000211759 [1,0,0,0,0,0|3,0,0]=4 16 B17R2.20249 CC(C)(Sc1cnccn1)c2ccccc2 62a_100000211759_100000034625 [1,0,0,0,0,0|3,0,0]=4 17 B17R2.20249 CC(C)(Sc1cncnc1)c2ccccc2 62a_100000034625_100011206942 [1,0,0,0,0,0|3,0,0]=4 18 B17R2.20249 CC(C)(Sc1cncnc1)c2ccccc2 62a_100011206942_100000034625 [1,0,0,0,0,0|3,0,0]=4 19 B19R2.2273 COC(c1ccccc1)[C@](C)(N)c2ccccc2 7a_200138564530_200000210301 [0,1,0,0,0,0|3,0,0]=4 20 B19R2.2273 C[C@@](N)(c1ccccc1)C(O[13CH3])c2ccccc2 7a_200138564530_200025704644 [0,1,0,0,0,0|3,0,0]=4 21 B19R2.28123 CN[C@](C)(c1ccccc1)C(O)c2ccccc2 2230a_200138564530_200000210301 [0,1,0,0,0,0|2,0,0]=3 22 B19R2.28123 C[C@@](N[13CH3])(c1ccccc1)C(O)c2ccccc2 2230a_200138564530_200025704644 [0,1,0,0,0,0|2,0,0]=3 23 B19R2.8901 CC(C)(NC(=O)c1ccccc1)c2cccnc2 11a_100011376175_100000185807 [0,0,0,0,0,1|1,0,2]=4 24 B19R2.8901 CC(C)(NC(=O)c1ccccc1)c2cccnc2 1626a_100011376175_100000185807 [0,0,0,0,0,1|1,0,2]=4 25 B19R2.8901 CC(C)(NC(=O)c1ccccc1)c2cccnc2 240690a_100011376175_100000185807 [0,0,0,0,0,1|1,0,2]=4 26 B19R2.8901 CC(C)(NC(=O)c1ccccc1)c2cccnc2 527a_100011376175_100000185807 [0,0,0,0,0,1|1,0,2]=4 27 B19R2.8901 CC(NC(C)(C)c1ccccc1)c2ccccc2 2230a_100011218174_100000230085 [0,0,0,0,0,1|3,0,0]=4 28 B19R2.8901 CC(NC(C)(C)c1ccccc1)c2cccnc2 2230a_100000195435_100000034625 [0,0,0,0,0,1|2,0,0]=3 29 B19R2.8901 CC(NC(C)(C)c1ccccc1)c2cnccn2 2230a_100011218174_200000703233 [0,0,0,0,0,1|3,0,0]=4 30 B19R2.8901 CC(NC(C)(C)c1cccnc1)c2ccccc2 2230a_100011376175_100000230085 [0,0,0,0,0,1|2,0,0]=3 31 B19R2.8901 CC(NC(C)(C)c1cccnc1)c2cnccn2 2230a_100011376175_200000703233 [0,0,0,0,0,1|2,0,0]=3 32 B19R2.8901 CC(OC(C)(C)c1ccccc1)c2ccccc2 7a_100000694644_100000230085 [0,0,0,0,0,1|3,0,0]=4 33 B19R2.8901 CC(OC(C)(C)c1ccccc1)c2cnccn2 7a_100000694644_200000703233 [0,0,0,0,0,1|3,0,0]=4 34 B19R2.8901 CC(SC(C)(C)c1ccccc1)c2cnccn2 62a_100000034625_200000703233 [0,0,0,0,0,1|3,0,0]=4 35 B19R2.8901 CC(SC(C)(C)c1ccccc1)c2cnccn2 62a_200000703233_100000034625 [0,0,0,0,0,1|3,0,0]=4 36 B19R2.8901 C[C@@H](NC(C)(C)c1ccccc1)c2ccccc2 2230a_100000751104_100000034625 [0,0,0,0,0,1|3,0,0]=4 37 B19R2.8901 C[C@@H](NC(C)(C)c1ccccc1)c2cnccn2 2230a_100020589798_100000034625 [0,0,0,0,0,1|3,0,0]=4 38 B19R2.8927 CC(C)(C(=O)Cc1cccnc1)c2ccccc2 1458a_100000211857_100000733263 [0,0,0,0,0,1|1,0,2]=4 39 B19R2.8927 CC(C)(C(=O)Cc1cccnc1)c2ccccc2 1458a_100000737805_100000034625 [0,0,0,0,0,1|1,0,2]=4 40 B19R2.8927 CN(Cc1cccnc1)C(C)(C)c2ccccc2 2230a_100000184577_100000034625 [0,0,0,0,0,1|3,0,0]=4 41 B19R2.8927 CN(Cc1cccnc1)C(C)(C)c2ccccc2 269982a_100000184577_100000034625 [0,0,0,0,0,1|3,0,0]=4 42 B19R2.21041 CC(C)(Oc1cccnc1)C(=O)c2ccccc2 7a_100000210849_200009813919 [0,0,0,0,0,1|1,0,2]=4 43 B19R2.21041 CC(C)(Sc1cccnc1)C(=O)c2ccccc2 62a_100000210063_200009813919 [0,0,0,0,0,1|1,0,2]=4 44 B19R2.21041 CC(C)(Sc1cccnc1)C(=O)c2ccccc2 62a_200009813919_100000210063 [0,0,0,0,0,1|1,0,2]=4 45 B16R2.88 CC(Cc1ccccc1)c2ccccc2 271570a_100000062452_100000210277 [2,0,0,0,0,0|2,0,0]=4 46 B16R2.88 CC(Cc1cccnc1)c2ccccc2 271570a_100000062452_100000752921 [2,0,0,0,0,0|1,0,0]=3 47 B16R2.88 CC(Cc1cccnn1)c2ccccc2 271570a_100000062452_100016991348 [2,0,0,0,0,0|2,0,0]=4 48 B16R2.88 CC(Cc1ccnnc1)c2ccccc2 271570a_100000062452_100000732662 [2,0,0,0,0,0|2,0,0]=4 49 B16R2.88 CC(Cc1cnccn1)c2ccccc2 271570a_100000062452_100000758340 [2,0,0,0,0,0|2,0,0]=4 50 B16R2.88 CC(Cc1cncnc1)c2ccccc2 271570a_100000062452_100011206942 [2,0,0,0,0,0|2,0,0]=4 51 B16R2.88 CC(Nc1cccnn1)c2cccnc2 27a_100000195435_100016991348 [2,0,0,0,0,0|2,0,0]=4 52 B16R2.88 CC(Nc1cnccn1)c2cccnc2 27a_100000195435_100000211759 [2,0,0,0,0,0|2,0,0]=4 53 B16R2.88 CC(Oc1cccnc1)c2ccccc2 34a_100000210849_100000211855 [2,0,0,0,0,0|2,0,0]=4 54 B16R2.88 CC(Oc1cccnc1)c2ccccc2 7a_100000210849_100000230085 [2,0,0,0,0,0|2,0,0]=4 55 B16R2.88 CC(Oc1cccnc1)c2cnccn2 7a_100000210849_200000703233 [2,0,0,0,0,0|2,0,0]=4 56 B16R2.88 CC(Sc1cccnc1)c2ccccc2 62a_100000210063_100000230085 [2,0,0,0,0,0|2,0,0]=4 57 B16R2.88 CC(Sc1cccnc1)c2ccccc2 62a_100000230085_100000210063 [2,0,0,0,0,0|2,0,0]=4 58 B16R2.88 CC(Sc1cccnc1)c2cnccn2 62a_100000210063_200000703233 [2,0,0,0,0,0|2,0,0]=4 59 B16R2.88 CC(Sc1cccnc1)c2cnccn2 62a_200000703233_100000210063 [2,0,0,0,0,0|2,0,0]=4 60 B16R2.88 CN(Cc1cccnc1)c2ccccc2 2230a_100000210012_100000741622 [2,0,0,0,0,0|2,0,0]=4 61 B16R2.88 CN(Cc1cccnc1)c2ccccc2 269982a_100000210012_100000733263 [2,0,0,0,0,0|2,0,0]=4 62 B16R2.88 CN(Cc1cccnc1)c2ccccc2 34a_100000210012_100000733263 [2,0,0,0,0,0|2,0,0]=4 63 B16R2.88 CN(Cc1cccnc1)c2cccnn2 27a_100000184577_100016991348 [2,0,0,0,0,0|2,0,0]=4 64 B16R2.88 CN(Cc1cccnc1)c2cnccn2 27a_100000184577_100000211759 [2,0,0,0,0,0|2,0,0]=4 65 B18R2.2315 CN[C@H](c1ccccc1)[C@@H](O)c2ccccc2 2230a_100000765503_200000210301 [1,1,0,0,0,0|2,0,0]=4 66 B18R2.2315 [13CH3]N[C@H](c1ccccc1)[C@@H](O)c2ccccc2 2230a_100000765503_200025704644 [1,1,0,0,0,0|2,0,0]=4 67 B18R2.3749 CC(C)(Sc1ccc(nc1)Br)c2ccccc2 62a_100000034625_100009814638 [1,1,0,0,0,0|2,0,0]=4 68 B18R2.3749 CC(C)(Sc1ccc(nc1)Br)c2ccccc2 62a_100009814638_100000034625 [1,1,0,0,0,0|2,0,0]=4 69 B18R2.3749 CC(C)(Sc1ccc(nc1)Cl)c2ccccc2 62a_100000034144_100000034625 [1,1,0,0,0,0|2,0,0]=4 70 B18R2.3749 CC(C)(Sc1ccc(nc1)Cl)c2ccccc2 62a_100000034625_100000034144 [1,1,0,0,0,0|2,0,0]=4 71 B18R2.3749 CC(C)(Sc1ccc(nc1)F)c2ccccc2 62a_100000034625_100000042367 [1,1,0,0,0,0|2,0,0]=4 72 B18R2.3749 CC(C)(Sc1ccc(nc1)F)c2ccccc2 62a_100000042367_100000034625 [1,1,0,0,0,0|2,0,0]=4 73 B18R2.3749 CC(C)(Sc1ccc(nc1)N)c2ccccc2 62a_100000034625_100000187370 [1,1,0,0,0,0|2,0,0]=4 74 B18R2.3749 CC(C)(Sc1ccc(nc1)N)c2ccccc2 62a_100000187370_100000034625 [1,1,0,0,0,0|2,0,0]=4 75 B18R2.3749 Cc1ccc(cn1)SC(C)(C)c2ccccc2 62a_100000034625_100000751577 [1,1,0,0,0,0|2,0,0]=4 76 B18R2.3749 Cc1ccc(cn1)SC(C)(C)c2ccccc2 62a_100000751577_100000034625 [1,1,0,0,0,0|2,0,0]=4 77 B18R2.3904 CC(C)(Sc1cncc(c1)Br)c2ccccc2 62a_100000034625_100000728054 [1,1,0,0,0,0|2,0,0]=4 78 B18R2.3904 CC(C)(Sc1cncc(c1)Br)c2ccccc2 62a_100000728054_100000034625 [1,1,0,0,0,0|2,0,0]=4 79 B18R2.3904 CC(C)(Sc1cncc(c1)Cl)c2ccccc2 62a_100000034625_100000049639 [1,1,0,0,0,0|2,0,0]=4 80 B18R2.3904 CC(C)(Sc1cncc(c1)Cl)c2ccccc2 62a_100000049639_100000034625 [1,1,0,0,0,0|2,0,0]=4 81 B18R2.3904 CC(C)(Sc1cncc(c1)F)c2ccccc2 62a_100000034625_100000744099 [1,1,0,0,0,0|2,0,0]=4 82 B18R2.3904 CC(C)(Sc1cncc(c1)F)c2ccccc2 62a_100000744099_100000034625 [1,1,0,0,0,0|2,0,0]=4 83 B18R2.3904 CC(C)(Sc1cncc(c1)N)c2ccccc2 62a_100000034625_100000687067 [1,1,0,0,0,0|2,0,0]=4 84 B18R2.3904 CC(C)(Sc1cncc(c1)N)c2ccccc2 62a_100000687067_100000034625 [1,1,0,0,0,0|2,0,0]=4 85 B18R2.3904 CC(C)(Sc1cncc(c1)O)c2ccccc2 62a_100000034625_100000754920 [1,1,0,0,0,0|2,0,0]=4 86 B18R2.3904 CC(C)(Sc1cncc(c1)O)c2ccccc2 62a_100000754920_100000034625 [1,1,0,0,0,0|2,0,0]=4 87 B18R2.3904 Cc1cncc(c1)SC(C)(C)c2ccccc2 62a_100000034625_100000760492 [1,1,0,0,0,0|2,0,0]=4 88 B18R2.3904 Cc1cncc(c1)SC(C)(C)c2ccccc2 62a_100000760492_100000034625 [1,1,0,0,0,0|2,0,0]=4 89 B18R2.4738 CC(C)(Sc1cccnc1Br)c2ccccc2 62a_100000034625_100010202626 [1,1,0,0,0,0|2,0,0]=4 90 B18R2.4738 CC(C)(Sc1cccnc1Br)c2ccccc2 62a_100010202626_100000034625 [1,1,0,0,0,0|2,0,0]=4 91 B18R2.4738 CC(C)(Sc1cccnc1Cl)c2ccccc2 62a_100000034625_100000036424 [1,1,0,0,0,0|2,0,0]=4 92 B18R2.4738 CC(C)(Sc1cccnc1Cl)c2ccccc2 62a_100000036424_100000034625 [1,1,0,0,0,0|2,0,0]=4 93 B18R2.4738 CC(C)(Sc1cccnc1F)c2ccccc2 62a_100000034625_100009816115 [1,1,0,0,0,0|2,0,0]=4 94 B18R2.4738 CC(C)(Sc1cccnc1F)c2ccccc2 62a_100009816115_100000034625 [1,1,0,0,0,0|2,0,0]=4 95 B18R2.4738 CC(C)(Sc1cccnc1N)c2ccccc2 62a_100000034625_100000045569 [1,1,0,0,0,0|2,0,0]=4 96 B18R2.4738 CC(C)(Sc1cccnc1N)c2ccccc2 62a_100000045569_100000034625 [1,1,0,0,0,0|2,0,0]=4 97 B18R2.4738 CC(C)(Sc1cccnc1O)c2ccccc2 62a_100000034625_100000760158 [1,1,0,0,0,0|2,0,0]=4 98 B18R2.4738 CC(C)(Sc1cccnc1O)c2ccccc2 62a_100000760158_100000034625 [1,1,0,0,0,0|2,0,0]=4 99 B18R2.4738 CC(C)(Sc1cnccc1Br)c2ccccc2 62a_100000034625_100010138639 [1,1,0,0,0,0|2,0,0]=4 100 B18R2.4738 CC(C)(Sc1cnccc1Br)c2ccccc2 62a_100010138639_100000034625 [1,1,0,0,0,0|2,0,0]=4 101 B18R2.4738 CC(C)(Sc1cnccc1Cl)c2ccccc2 62a_100000034625_100009995489 [1,1,0,0,0,0|2,0,0]=4 102 B18R2.4738 CC(C)(Sc1cnccc1Cl)c2ccccc2 62a_100009995489_100000034625 [1,1,0,0,0,0|2,0,0]=4 103 B18R2.4738 CC(C)(Sc1cnccc1F)c2ccccc2 62a_100000034625_100009820683 [1,1,0,0,0,0|2,0,0]=4 104 B18R2.4738 CC(C)(Sc1cnccc1F)c2ccccc2 62a_100009820683_100000034625 [1,1,0,0,0,0|2,0,0]=4 105 B18R2.4738 CC(C)(Sc1cnccc1N)c2ccccc2 62a_100000034625_100000047001 [1,1,0,0,0,0|2,0,0]=4 106 B18R2.4738 CC(C)(Sc1cnccc1N)c2ccccc2 62a_100000047001_100000034625 [1,1,0,0,0,0|2,0,0]=4 107 B18R2.4738 Cc1ccncc1SC(C)(C)c2ccccc2 62a_100000034625_100000761580 [1,1,0,0,0,0|2,0,0]=4 108 B18R2.4738 Cc1ccncc1SC(C)(C)c2ccccc2 62a_100000761580_100000034625 [1,1,0,0,0,0|2,0,0]=4 109 B18R2.4738 Cc1ncccc1SC(C)(C)c2ccccc2 62a_100000034625_100000751574 [1,1,0,0,0,0|2,0,0]=4 110 B18R2.4738 Cc1ncccc1SC(C)(C)c2ccccc2 62a_100000751574_100000034625 [1,1,0,0,0,0|2,0,0]=4 111 B20R2.2126 C=CC(NC(C)(C)c1cccnc1)c2ccccc2 2230a_100011376175_200000085779 [0,1,0,0,0,1|2,0,0]=4 112 B20R2.2126 CC(C)(N[C@H](CO)c1ccccc1)c2ccccc2 2230a_100000751927_100000034625 [0,1,0,0,0,1|2,0,0]=4 113 B20R2.2126 CCC(NC(C)(C)c1ccccc1)c2cccnc2 2230a_100000246009_100000034625 [0,1,0,0,0,1|2,0,0]=4 114 B20R2.15364 CC(NC(C)(C)c1cccnc1)c2ccc(cc2)Br 2230a_100011376175_100000755118 [0,1,0,0,0,1|2,0,0]=4 115 B20R2.15364 CC(NC(C)(C)c1cccnc1)c2ccc(cc2)Cl 2230a_100011376175_100000684792 [0,1,0,0,0,1|2,0,0]=4 116 B20R2.15364 CC(NC(C)(C)c1cccnc1)c2ccc(cc2)F 2230a_100011376175_100000743420 [0,1,0,0,0,1|2,0,0]=4 117 B20R2.15364 CC(NC(C)(C)c1cccnc1)c2cnc(cn2)Cl 270004a_100011376175_100009883172 [0,1,0,0,0,1|2,0,0]=4 118 B20R2.15364 C[C@H](NC(C)(C)c1ccccc1)c2ccc(nc2)Br 2230a_100015387476_100000034625 [0,1,0,0,0,1|2,0,0]=4 119 B20R2.15364 Cc1ccc(cc1)C(C)NC(C)(C)c2cccnc2 2230a_100011376175_100011261388 [0,1,0,0,0,1|2,0,0]=4 120 B20R2.15364 Cc1ccc(cn1)C(C)NC(C)(C)c2ccccc2 2230a_100011815741_100000034625 [0,1,0,0,0,1|2,0,0]=4 121 B20R2.15703 CC(OC(C)(C)c1ccc(nc1)Br)c2ccccc2 34a_100010080785_100000211855 [0,1,0,0,0,1|2,0,0]=4 122 B20R2.15703 CC(OC(C)(C)c1ccc(nc1)Br)c2ccccc2 7a_100010080785_100000230085 [0,1,0,0,0,1|2,0,0]=4 123 B20R2.15703 CC(OC(C)(C)c1ccc(nc1)Br)c2cnccn2 7a_100010080785_200000703233 [0,1,0,0,0,1|2,0,0]=4 124 B20R2.15703 CC(OC(C)(C)c1ccc(nc1)N)c2ccccc2 34a_100000144444_100000211855 [0,1,0,0,0,1|2,0,0]=4 125 B20R2.15703 CC(OC(C)(C)c1ccc(nc1)N)c2ccccc2 7a_100000144444_100000230085 [0,1,0,0,0,1|2,0,0]=4 126 B20R2.15703 CC(OC(C)(C)c1ccc(nc1)N)c2cnccn2 7a_100000144444_200000703233 [0,1,0,0,0,1|2,0,0]=4 127 B20R2.72085 CC(OC(C)(C)c1cncc(c1)Br)c2ccccc2 34a_100010080784_100000211855 [0,1,0,0,0,1|2,0,0]=4 128 B20R2.72085 CC(OC(C)(C)c1cncc(c1)Br)c2ccccc2 7a_100010080784_100000230085 [0,1,0,0,0,1|2,0,0]=4 129 B20R2.72085 CC(OC(C)(C)c1cncc(c1)Br)c2cnccn2 7a_100010080784_200000703233 [0,1,0,0,0,1|2,0,0]=4 130 B20R2.74042 CC(C)(NC(C)(C)c1cccnc1)c2ccccc2 2230a_100011376175_100000034625 [0,1,0,0,0,1|2,0,0]=4 131 B20R2.74042 CC(C)(NS(=O)(=O)c1cccnc1)c2cccnc2 270084a_100011376175_100000736704 [0,1,0,0,0,1|1,0,1]=4 132 B20R2.74042 CC(C)(NS(=O)(=O)c1cccnc1)c2cccnc2 274078a_100011376175_100000736704 [0,1,0,0,0,1|1,0,1]=4 133 B20R2.74453 CC(NC(C)(C)c1ccccc1)c2cccnc2O 2230a_100159269580_100000034625 [0,1,0,0,0,1|2,0,0]=4 134 B20R2.74453 CC(NC(C)(C)c1cccnc1)c2ccccc2Cl 2230a_100011376175_100000181259 [0,1,0,0,0,1|2,0,0]=4 135 B20R2.74453 CC(NC(C)(C)c1cccnc1)c2ccccc2F 2230a_100011376175_200000741388 [0,1,0,0,0,1|2,0,0]=4 136 B20R2.140939 CC(OC(C)(C)c1cccnc1Br)c2ccccc2 34a_100010080783_100000211855 [0,1,0,0,0,1|2,0,0]=4 137 B20R2.140939 CC(OC(C)(C)c1cccnc1Br)c2ccccc2 7a_100010080783_100000230085 [0,1,0,0,0,1|2,0,0]=4 138 B20R2.140939 CC(OC(C)(C)c1cccnc1Br)c2cnccn2 7a_100010080783_200000703233 [0,1,0,0,0,1|2,0,0]=4 139 B20R2.140939 CC(OC(C)(C)c1cccnc1F)c2ccccc2 34a_100000144396_100000211855 [0,1,0,0,0,1|2,0,0]=4 140 B20R2.140939 CC(OC(C)(C)c1cccnc1F)c2ccccc2 7a_100000144396_100000230085 [0,1,0,0,0,1|2,0,0]=4 141 B20R2.140939 CC(OC(C)(C)c1cccnc1F)c2cnccn2 7a_100000144396_200000703233 [0,1,0,0,0,1|2,0,0]=4 142 B20R2.153178 C[C@@H](NC(C)(C)c1ccccc1)c2cncc(c2)Br 2230a_100012350620_100000034625 [0,1,0,0,0,1|2,0,0]=4 143 B20R2.2291450 CC(C)(C(=O)[C@H](O)c1ccccc1)c2ccccc2 1458a_100000684486_100000034625 [0,1,0,0,0,1|2,0,0]=4 144 B20R2.2291450 CC(c1cccnc1)N(C)C(C)(C)c2ccccc2 2230a_100000232774_100000034625 [0,1,0,0,0,1|2,0,0]=4 145 B20R2.2291450 CC(c1cccnc1)N(C)C(C)(C)c2ccccc2 269982a_100000232774_100000034625 [0,1,0,0,0,1|2,0,0]=4 146 B20R2.96072 CC(C)(C(=O)Cc1cccnc1)c2cccnc2Cl 1458a_100011017506_100000733263 [0,1,0,0,0,1|0,0,2]=4 147 B20R2.2166 CC(C)(Oc1ccccc1)C(O[13CH3])c2ccccc2 34a_103436537556_200025704644 [0,1,0,0,0,1|2,0,0]=4 148 B20R2.2166 CC(C)(Oc1ccccc1)C(O[13CH3])c2ccccc2 7a_103436537556_200025704644 [0,1,0,0,0,1|2,0,0]=4 149 B20R2.2166 COC(c1ccccc1)C(C)(C)Oc2ccccc2 34a_103436537556_200000210301 [0,1,0,0,0,1|2,0,0]=4 150 B20R2.2166 COC(c1ccccc1)C(C)(C)Oc2ccccc2 7a_103436537556_200000210301 [0,1,0,0,0,1|2,0,0]=4 151 B20R2.184799 CCN[C@](C)(c1ccccc1)C(O)c2ccccc2 2230a_200138564530_100000210202 [0,2,0,0,0,0|2,0,0]=4 152 B18R3.2111 c1cncc(c1)C2(CC2)Nc3cccnn3 27a_100020592340_100016991348 [1,0,0,1,0,0|2,0,0]=4 153 B18R3.2111 c1cncc(c1)C2(CC2)Nc3cnccn3 27a_100020592340_100000211759 [1,0,0,1,0,0|2,0,0]=4 154 B20R3.16134 CC(NC1(CC1)c2ccccc2)c3cccnc3 269862a_100000749958_100000210468 [0,0,0,1,0,1|2,0,0]=4 155 B20R3.16134 CC(NC1(CC1)c2cccnc2)c3ccccc3 2230a_100020592340_100000230085 [0,0,0,1,0,1|2,0,0]=4 156 B20R3.16134 CC(NC1(CC1)c2cccnc2)c3cnccn3 2230a_100020592340_200000703233 [0,0,0,1,0,1|2,0,0]=4 157 B20R3.331654 O=C(Cc1cccnc1)C2(CC2)c3cccnc3 1458a_100000717079_100000733263 [0,0,0,1,0,1|0,0,2]=4 158 B18R2.3634 CC(NC(C)c1cccnc1)c2ccccc2 2230a_100000195435_100000230085 [1,0,0,0,0,1|2,0,0]=4 159 B18R2.3634 CC(NC(C)c1cccnc1)c2ccccc2 269862a_100000195435_100000185851 [1,0,0,0,0,1|2,0,0]=4 160 B18R2.3634 CC(NC(C)c1cccnc1)c2cccnc2 269862a_100000195435_100000210468 [1,0,0,0,0,1|1,0,0]=3 161 B18R2.3634 CC(NC(C)c1cccnn1)c2cccnc2 269862a_100000195435_100009866853 [1,0,0,0,0,1|2,0,0]=4 162 B18R2.3634 CC(NC(C)c1ccnnc1)c2cccnc2 269862a_100000195435_100012182992 [1,0,0,0,0,1|2,0,0]=4 163 B18R2.3634 CC(NC(C)c1cnccn1)c2cccnc2 2230a_100000195435_200000703233 [1,0,0,0,0,1|2,0,0]=4 164 B18R2.3634 CC(NC(C)c1cnccn1)c2cccnc2 269862a_100000195435_100000751083 [1,0,0,0,0,1|2,0,0]=4 165 B18R2.3634 CC(NC(C)c1cncnc1)c2cccnc2 269862a_100000195435_100000757475 [1,0,0,0,0,1|2,0,0]=4 166 B18R2.3634 CC(N[C@H](C)c1ccccc1)c2cccnc2 269862a_100000751104_100000210468 [1,0,0,0,0,1|2,0,0]=4 167 B18R2.3634 CC(N[C@H](C)c1cnccn1)c2cccnc2 269862a_100020589798_100000210468 [1,0,0,0,0,1|2,0,0]=4 168 B18R2.7204 CC(c1cccnc1)N(C)Cc2cccnc2 2230a_100000232774_100000741622 [1,0,0,0,0,1|2,0,0]=4 169 B18R2.7204 CC(c1cccnc1)N(C)Cc2cccnc2 269982a_100000232774_100000733263 [1,0,0,0,0,1|2,0,0]=4 170 B18R2.7204 CC(c1cccnc1)N(C)Cc2cccnc2 270004a_100000232774_100000209961 [1,0,0,0,0,1|2,0,0]=4 171 B18R2.32237 CC(C)(CNc1cccnn1)c2ccccc2 27a_100011211644_100016991348 [1,0,0,0,0,1|2,0,0]=4 172 B18R2.32237 CC(C)(CNc1cnccn1)c2ccccc2 27a_100011211644_100000211759 [1,0,0,0,0,1|2,0,0]=4 173 B18R2.32237 CC(C)(CSc1ccccc1)c2ccccc2 62a_100000703224_100000041952 [1,0,0,0,0,1|2,0,0]=4 174 B18R2.32237 CC(C)(CSc1ccccc1)c2ccccc2 62a_100000719477_100000703224 [1,0,0,0,0,1|2,0,0]=4 175 B18R2.32237 CC(C)(CSc1cccnc1)c2ccccc2 62a_100000210063_100000703224 [1,0,0,0,0,1|1,0,0]=3 176 B18R2.32237 CC(C)(CSc1cccnc1)c2ccccc2 62a_100000703224_100000210063 [1,0,0,0,0,1|1,0,0]=3 177 B18R2.32237 CC(C)(CSc1cccnn1)c2ccccc2 62a_100000703224_100016991348 [1,0,0,0,0,1|2,0,0]=4 178 B18R2.32237 CC(C)(CSc1cccnn1)c2ccccc2 62a_100016991348_100000703224 [1,0,0,0,0,1|2,0,0]=4 179 B18R2.32237 CC(C)(CSc1ccnnc1)c2ccccc2 62a_100000703224_100000732662 [1,0,0,0,0,1|2,0,0]=4 180 B18R2.32237 CC(C)(CSc1ccnnc1)c2ccccc2 62a_100000732662_100000703224 [1,0,0,0,0,1|2,0,0]=4 181 B18R2.32237 CC(C)(CSc1cnccn1)c2ccccc2 62a_100000211759_100000703224 [1,0,0,0,0,1|2,0,0]=4 182 B18R2.32237 CC(C)(CSc1cnccn1)c2ccccc2 62a_100000703224_100000211759 [1,0,0,0,0,1|2,0,0]=4 183 B18R2.32237 CC(C)(CSc1cncnc1)c2ccccc2 62a_100000703224_100011206942 [1,0,0,0,0,1|2,0,0]=4 184 B18R2.32237 CC(C)(CSc1cncnc1)c2ccccc2 62a_100011206942_100000703224 [1,0,0,0,0,1|2,0,0]=4 185 B18R2.32237 CC(C)(NCc1ccccc1)c2ccccc2 207a_100011218174_100015611070 [1,0,0,0,0,1|2,0,0]=4 186 B18R2.32237 CC(C)(NCc1ccccc1)c2ccccc2 2230a_100011218174_100015291786 [1,0,0,0,0,1|2,0,0]=4 187 B18R2.32237 CC(C)(NCc1ccccc1)c2ccccc2 2230a_100015324214_100000034625 [1,0,0,0,0,1|2,0,0]=4 188 B18R2.32237 CC(C)(NCc1ccccc1)c2ccccc2 270004a_100011218174_100015611070 [1,0,0,0,0,1|2,0,0]=4 189 B18R2.32237 CC(C)(NCc1ccccc1)c2cccnc2 207a_100011376175_100015611070 [1,0,0,0,0,1|1,0,0]=3 190 B18R2.32237 CC(C)(NCc1ccccc1)c2cccnc2 2230a_100011376175_100015291786 [1,0,0,0,0,1|1,0,0]=3 191 B18R2.32237 CC(C)(NCc1ccccc1)c2cccnc2 270004a_100011376175_100015611070 [1,0,0,0,0,1|1,0,0]=3 192 B18R2.32237 CC(C)(NCc1ccccn1)c2cccnc2 207a_100011376175_100000209966 [1,0,0,0,0,1|2,0,0]=4 193 B18R2.32237 CC(C)(NCc1ccccn1)c2cccnc2 2230a_100011376175_100000721315 [1,0,0,0,0,1|2,0,0]=4 194 B18R2.32237 CC(C)(NCc1ccccn1)c2cccnc2 270004a_100011376175_100000209966 [1,0,0,0,0,1|2,0,0]=4 195 B18R2.32237 CC(C)(NCc1cccnc1)c2ccccc2 207a_100011218174_100000209961 [1,0,0,0,0,1|1,0,0]=3 196 B18R2.32237 CC(C)(NCc1cccnc1)c2ccccc2 2230a_100011218174_100000741622 [1,0,0,0,0,1|1,0,0]=3 197 B18R2.32237 CC(C)(NCc1cccnc1)c2ccccc2 270004a_100011218174_100000209961 [1,0,0,0,0,1|1,0,0]=3 198 B18R2.32237 CC(C)(NCc1cccnc1)c2ccccn2 207a_100011999416_100000209961 [1,0,0,0,0,1|2,0,0]=4 199 B18R2.32237 CC(C)(NCc1cccnc1)c2ccccn2 2230a_100011999416_100000741622 [1,0,0,0,0,1|2,0,0]=4 200 B18R2.32237 CC(C)(NCc1cccnc1)c2ccccn2 270004a_100011999416_100000209961 [1,0,0,0,0,1|2,0,0]=4 201 B18R2.32237 CC(C)(NCc1cccnc1)c2cccnc2 207a_100011376175_100000209961 [1,0,0,0,0,1|0,0,0]=2 202 B18R2.32237 CC(C)(NCc1cccnc1)c2cccnc2 2230a_100011376175_100000741622 [1,0,0,0,0,1|0,0,0]=2 203 B18R2.32237 CC(C)(NCc1cccnc1)c2cccnc2 270004a_100011376175_100000209961 [1,0,0,0,0,1|0,0,0]=2 204 B18R2.32237 CC(C)(NCc1cccnn1)c2ccccc2 2230a_100011218174_100016990269 [1,0,0,0,0,1|2,0,0]=4 205 B18R2.32237 CC(C)(NCc1cccnn1)c2ccccc2 2230a_100159270163_100000034625 [1,0,0,0,0,1|2,0,0]=4 206 B18R2.32237 CC(C)(NCc1cccnn1)c2cccnc2 2230a_100011376175_100016990269 [1,0,0,0,0,1|1,0,0]=3 207 B18R2.32237 CC(C)(NCc1ccncc1)c2cccnc2 207a_100011376175_100000186114 [1,0,0,0,0,1|2,0,0]=4 208 B18R2.32237 CC(C)(NCc1ccncc1)c2cccnc2 2230a_100011376175_100015193705 [1,0,0,0,0,1|2,0,0]=4 209 B18R2.32237 CC(C)(NCc1ccnnc1)c2ccccc2 270004a_100011218174_100011934578 [1,0,0,0,0,1|2,0,0]=4 210 B18R2.32237 CC(C)(NCc1ccnnc1)c2cccnc2 270004a_100011376175_100011934578 [1,0,0,0,0,1|1,0,0]=3 211 B18R2.32237 CC(C)(NCc1cnccn1)c2ccccc2 2230a_100011218174_100016995436 [1,0,0,0,0,1|2,0,0]=4 212 B18R2.32237 CC(C)(NCc1cnccn1)c2ccccc2 270004a_100011218174_100000749867 [1,0,0,0,0,1|2,0,0]=4 213 B18R2.32237 CC(C)(NCc1cnccn1)c2cccnc2 2230a_100011376175_100016995436 [1,0,0,0,0,1|1,0,0]=3 214 B18R2.32237 CC(C)(NCc1cnccn1)c2cccnc2 270004a_100011376175_100000749867 [1,0,0,0,0,1|1,0,0]=3 215 B18R2.32237 CC(C)(NCc1cncnc1)c2ccccc2 2230a_100011218174_100015196519 [1,0,0,0,0,1|2,0,0]=4 216 B18R2.32237 CC(C)(NCc1cncnc1)c2ccccc2 2230a_100011243677_100000034625 [1,0,0,0,0,1|2,0,0]=4 217 B18R2.32237 CC(C)(NCc1cncnc1)c2ccccc2 270004a_100011218174_100000749868 [1,0,0,0,0,1|2,0,0]=4 218 B18R2.32237 CC(C)(NCc1cncnc1)c2cccnc2 2230a_100011376175_100015196519 [1,0,0,0,0,1|1,0,0]=3 219 B18R2.32237 CC(C)(NCc1cncnc1)c2cccnc2 270004a_100011376175_100000749868 [1,0,0,0,0,1|1,0,0]=3 220 B18R2.32237 CC(C)(OCc1ccccc1)c2ccccc2 7a_100000694644_100000211182 [1,0,0,0,0,1|2,0,0]=4 221 B18R2.32237 CC(C)(OCc1cccnc1)c2ccccc2 7a_100000694644_100000741622 [1,0,0,0,0,1|1,0,0]=3 222 B18R2.32237 CC(C)(OCc1cccnc1)c2ccccn2 7a_100000041474_100000741622 [1,0,0,0,0,1|2,0,0]=4 223 B18R2.32237 CC(C)(OCc1cccnn1)c2ccccc2 7a_100000694644_100016990269 [1,0,0,0,0,1|2,0,0]=4 224 B18R2.32237 CC(C)(OCc1cnccn1)c2ccccc2 7a_100000694644_100016995436 [1,0,0,0,0,1|2,0,0]=4 225 B18R2.32237 CC(C)(OCc1cncnc1)c2ccccc2 7a_100000694644_100015196519 [1,0,0,0,0,1|2,0,0]=4 226 B18R2.32237 CC(C)(SCc1ccccc1)c2ccccc2 62a_100000034625_100015291786 [1,0,0,0,0,1|2,0,0]=4 227 B18R2.32237 CC(C)(SCc1ccccc1)c2ccccc2 62a_100000211182_100000034625 [1,0,0,0,0,1|2,0,0]=4 228 B18R2.32237 CC(C)(SCc1cccnc1)c2ccccc2 62a_100000034625_100000741622 [1,0,0,0,0,1|1,0,0]=3 229 B18R2.32237 CC(C)(SCc1cccnc1)c2ccccc2 62a_100000741622_100000034625 [1,0,0,0,0,1|1,0,0]=3 230 B18R2.32237 CC(C)(SCc1cccnn1)c2ccccc2 62a_100000034625_100016990269 [1,0,0,0,0,1|2,0,0]=4 231 B18R2.32237 CC(C)(SCc1cccnn1)c2ccccc2 62a_100016990269_100000034625 [1,0,0,0,0,1|2,0,0]=4 232 B18R2.32237 CC(C)(SCc1cnccn1)c2ccccc2 62a_100000034625_100016995436 [1,0,0,0,0,1|2,0,0]=4 233 B18R2.32237 CC(C)(SCc1cnccn1)c2ccccc2 62a_100016995436_100000034625 [1,0,0,0,0,1|2,0,0]=4 234 B18R2.32237 CC(C)(SCc1cncnc1)c2ccccc2 62a_100000034625_100015196519 [1,0,0,0,0,1|2,0,0]=4 235 B18R2.32237 CC(C)(SCc1cncnc1)c2ccccc2 62a_100015196519_100000034625 [1,0,0,0,0,1|2,0,0]=4 236 B18R2.32237 C[Si](C)(COc1cccnc1)c2ccccc2 7a_100000210849_100000038972 [1,0,0,0,0,1|1,1,0]=4 237 B18R2.32237 C[Si](C)(CSc1cccnc1)c2ccccc2 62a_100000038972_100000210063 [1,0,0,0,0,1|1,1,0]=4 238 B18R2.32237 C[Si](C)(CSc1cccnc1)c2ccccc2 62a_100000210063_100000038972 [1,0,0,0,0,1|1,1,0]=4 239 B20R2.10818 CC(C)(NC(=O)Cc1cccnc1)c2cccnc2 11a_100011376175_100000737805 [0,0,0,0,0,2|0,0,2]=4 240 B20R2.10818 CC(C)(NC(=O)Cc1cccnc1)c2cccnc2 240690a_100011376175_100000737805 [0,0,0,0,0,2|0,0,2]=4 241 B20R2.10818 CC(C)(NC(=O)Cc1cccnc1)c2cccnc2 527a_100011376175_100000737805 [0,0,0,0,0,2|0,0,2]=4 242 B20R2.10818 CC(Cc1cccnc1)NC(C)(C)c2ccccc2 2230a_100011207255_100000034625 [0,0,0,0,0,2|2,0,0]=4 243 B20R2.10818 CC(Cc1cccnc1)NC(C)(C)c2ccccc2 270004a_100011218174_100015187140 [0,0,0,0,0,2|2,0,0]=4 244 B20R2.10818 CC(Cc1cccnc1)NC(C)(C)c2cccnc2 270004a_100011376175_100015187140 [0,0,0,0,0,2|1,0,0]=3 245 B20R2.10818 CC(Cc1cnccn1)NC(C)(C)c2cccnc2 270004a_100011376175_100015184882 [0,0,0,0,0,2|2,0,0]=4 246 B20R2.10843 CC(C)(NCC(O)c1ccccc1)c2ccccc2 2230a_100000210709_100000034625 [0,0,0,0,0,2|2,0,0]=4 247 B20R2.10843 CC(C)(NCC(O)c1ccccc1)c2ccccc2 2230a_100011218174_100000185958 [0,0,0,0,0,2|2,0,0]=4 248 B20R2.10843 CC(C)(NCC(O)c1ccccc1)c2cccnc2 2230a_100011376175_100000185958 [0,0,0,0,0,2|1,0,0]=3 249 B20R2.10843 CC(C)(NCC(O)c1cccnc1)c2ccccc2 2230a_100020605170_100000034625 [0,0,0,0,0,2|1,0,0]=3 250 B20R2.10843 CC(C)(NC[C@@H](O)c1ccccc1)c2ccccc2 2230a_100011218174_100011933945 [0,0,0,0,0,2|2,0,0]=4 251 B20R2.10843 CC(C)(NC[C@@H](O)c1ccccc1)c2cccnc2 2230a_100011376175_100011933945 [0,0,0,0,0,2|1,0,0]=3 252 B20R2.10843 CC(C)(OCC(O)c1ccccc1)c2ccccc2 7a_100000694644_100000185958 [0,0,0,0,0,2|2,0,0]=4 253 B20R2.10843 CC(C)(OC[C@@H](O)c1ccccc1)c2ccccc2 7a_100000694644_100011933945 [0,0,0,0,0,2|2,0,0]=4 254 B20R2.10843 CC(C)(SCC(O)c1ccccc1)c2ccccc2 62a_100000034625_100000185958 [0,0,0,0,0,2|2,0,0]=4 255 B20R2.10843 CC(C)(SCC(O)c1ccccc1)c2ccccc2 62a_100000185958_100000034625 [0,0,0,0,0,2|2,0,0]=4 256 B20R2.10843 CC(C)(SC[C@@H](O)c1ccccc1)c2ccccc2 62a_100000034625_100011933945 [0,0,0,0,0,2|2,0,0]=4 257 B20R2.10843 CC(C)(SC[C@@H](O)c1ccccc1)c2ccccc2 62a_100011933945_100000034625 [0,0,0,0,0,2|2,0,0]=4 258 B20R2.10843 CC(CNC(C)(C)c1cccnc1)c2ccccc2 2230a_100011376175_100000756946 [0,0,0,0,0,2|2,0,0]=4 259 B20R2.10843 CC(CNC(C)(C)c1cccnc1)c2ccccc2 270004a_100011376175_100000212034 [0,0,0,0,0,2|2,0,0]=4 260 B20R2.10843 CC(NCC(C)(C)c1ccccc1)c2cccnc2 269862a_100011211644_100000210468 [0,0,0,0,0,2|2,0,0]=4