0 B25R3.5661234 Cc1c(c(=O)n(n1C)c2ccccc2)CC(C)c3ccccc3 271570a_100000062452_100009813935 [0,0,0,0,0,0|3,0,1]=4 1 B25R3.5661234 Cc1c(c(=O)n(n1C)c2ccccc2)OC(C)c3ccccc3 34a_100000032164_100000211855 [0,0,0,0,0,0|3,0,1]=4 2 B24R3.2393931 CC1=NN(C(=O)C1NC(=O)c2ccccc2)c3ccccc3 11a_200025744275_100000185807 [1,0,0,0,0,0|1,0,2]=4 3 B24R3.2393931 CC1=NN(C(=O)C1NC(=O)c2ccccc2)c3ccccc3 240690a_200025744275_100000185807 [1,0,0,0,0,0|1,0,2]=4 4 B24R3.4688733 Cc1c(c(=O)n(n1C)c2ccccc2)C#Cc3ccccc3 271570a_100000069678_100009813935 [1,0,0,0,0,0|2,0,1]=4 5 B24R3.4688733 Cc1c(c(=O)n(n1C)c2ccccc2)C=Cc3ccccc3 271570a_100102527694_100009813935 [1,0,0,0,0,0|2,0,0]=3 6 B24R3.4688733 Cc1c(c(=O)n(n1C)c2ccccc2)C=Cc3cccnc3 271570a_100102525586_100009813935 [1,0,0,0,0,0|1,0,0]=2 7 B24R3.4688733 Cc1c(c(=O)n(n1C)c2ccccc2)OCc3ccccc3 34a_100000032164_100015291786 [1,0,0,0,0,0|2,0,1]=4 8 B24R3.4688733 Cc1c(c(=O)n(n1C)c2ccccc2)OCc3cccnc3 34a_100000032164_100000733263 [1,0,0,0,0,0|1,0,1]=3 9 B24R3.4688733 Cc1c(c(=O)n(n1C)c2ccccc2)OCc3cccnn3 34a_100000032164_100016990269 [1,0,0,0,0,0|2,0,1]=4 10 B24R3.4688733 Cc1c(c(=O)n(n1C)c2ccccc2)OCc3cnccn3 34a_100000032164_100016995436 [1,0,0,0,0,0|2,0,1]=4 11 B24R3.4688733 Cc1c(c(=O)n(n1C)c2ccccc2)OCc3cncnc3 34a_100000032164_100015196519 [1,0,0,0,0,0|2,0,1]=4 12 B24R3.1998863 C=C(c1ccccc1)c2c(n(n(c2=O)c3ccccc3)C)C 271570a_100000068269_100009813935 [0,0,0,0,1,0|2,0,0]=3 13 B26R3.6931469 Cc1c(c(=O)n(n1C)c2ccccc2)OCC(=O)c3ccccn3 34a_100000032164_100000027445 [0,0,0,0,0,1|3,0,0]=4 14 B23R2.477038 CC(C)N(C(=O)CNC(=O)c1cccnc1)c2ccccc2 11a_100000210572_100000688122 [1,0,1,0,0,0|1,0,1]=4 15 B23R2.477038 CC(C)N(C(=O)NNC(=O)c1cccnc1)c2ccccc2 512a_100000210572_100000189771 [1,0,1,0,0,0|2,0,0]=4 16 B23R2.477038 CN(C)C(C(=O)NNC(=O)c1cccnc1)c2ccccc2 22a_100000189771_100000743987 [1,0,1,0,0,0|2,0,0]=4 17 B25R2.71465164 C=CC=CC(=O)CC(=O)Nc1c(n(n(c1=O)c2ccccc2)C)C 1458a_100016291481_100000389365 [0,1,1,0,0,0|1,0,1]=4 18 B25R3.28903593 Cc1c(c(=O)n(n1C)c2ccccc2)C=Cc3ccccc3F 271570a_200102527919_100009813935 [1,1,0,0,0,0|2,0,0]=4 19 B25R3.28903593 Cc1c(c(=O)n(n1C)c2ccccc2)OCc3cccnc3Br 34a_100000032164_100010140945 [1,1,0,0,0,0|1,0,1]=4 20 B25R3.28903593 Cc1c(c(=O)n(n1C)c2ccccc2)OCc3cccnc3Cl 34a_100000032164_100000045678 [1,1,0,0,0,0|1,0,1]=4 21 B25R3.28903593 Cc1c(c(=O)n(n1C)c2ccccc2)OCc3cccnc3F 34a_100000032164_100000099810 [1,1,0,0,0,0|1,0,1]=4 22 B25R3.28903593 Cc1ccncc1COc2c(n(n(c2=O)c3ccccc3)C)C 34a_100000032164_100000690890 [1,1,0,0,0,0|1,0,1]=4 23 B25R3.28903593 Cc1ncccc1COc2c(n(n(c2=O)c3ccccc3)C)C 34a_100000032164_100000732876 [1,1,0,0,0,0|1,0,1]=4 24 B25R3.43343909 Cc1c(c(=O)n(n1C)c2ccccc2)C=Cc3ccc(cc3)Br 271570a_100102527914_100009813935 [1,1,0,0,0,0|2,0,0]=4 25 B25R3.43343909 Cc1c(c(=O)n(n1C)c2ccccc2)C=Cc3ccc(cc3)Cl 271570a_100102527930_100009813935 [1,1,0,0,0,0|2,0,0]=4 26 B25R3.43343909 Cc1c(c(=O)n(n1C)c2ccccc2)C=Cc3ccc(cc3)F 271570a_100102525539_100009813935 [1,1,0,0,0,0|2,0,0]=4 27 B25R3.43343909 Cc1c(c(=O)n(n1C)c2ccccc2)OCc3ccc(nc3)Br 34a_100000032164_100009831999 [1,1,0,0,0,0|1,0,1]=4 28 B25R3.43343909 Cc1c(c(=O)n(n1C)c2ccccc2)OCc3ccc(nc3)Cl 34a_100000032164_100000735431 [1,1,0,0,0,0|1,0,1]=4 29 B25R3.43343909 Cc1c(c(=O)n(n1C)c2ccccc2)OCc3ccc(nc3)F 34a_100000032164_100000099788 [1,1,0,0,0,0|1,0,1]=4 30 B25R3.43343909 Cc1ccc(cc1)C=Cc2c(n(n(c2=O)c3ccccc3)C)C 271570a_100102527916_100009813935 [1,1,0,0,0,0|2,0,0]=4 31 B25R3.43343909 Cc1ccc(cn1)COc2c(n(n(c2=O)c3ccccc3)C)C 34a_100000032164_100016987292 [1,1,0,0,0,0|1,0,1]=4 32 B25R3.218169471 Cc1c(c(=O)n(n1C)c2ccccc2)C=Cc3cccc(c3)Cl 271570a_100102525933_100009813935 [1,1,0,0,0,0|2,0,0]=4 33 B25R3.218169471 Cc1c(c(=O)n(n1C)c2ccccc2)C=Cc3cccc(c3)F 271570a_100102525537_100009813935 [1,1,0,0,0,0|2,0,0]=4 34 B25R3.218169471 Cc1c(c(=O)n(n1C)c2ccccc2)OCc3cncc(c3)Br 34a_100000032164_100000738771 [1,1,0,0,0,0|1,0,1]=4 35 B25R3.218169471 Cc1c(c(=O)n(n1C)c2ccccc2)OCc3cncc(c3)Cl 34a_100000032164_100016992070 [1,1,0,0,0,0|1,0,1]=4 36 B25R3.218169471 Cc1c(c(=O)n(n1C)c2ccccc2)OCc3cncc(c3)F 34a_100000032164_100000725299 [1,1,0,0,0,0|1,0,1]=4 37 B25R3.218169471 Cc1cccc(c1)C=Cc2c(n(n(c2=O)c3ccccc3)C)C 271570a_200135466880_100009813935 [1,1,0,0,0,0|2,0,0]=4 38 B25R3.218169471 Cc1cncc(c1)COc2c(n(n(c2=O)c3ccccc3)C)C 34a_100000032164_100000716715 [1,1,0,0,0,0|1,0,1]=4 39 B25R3.296980602 C=C(c1ccc(cc1)C)c2c(n(n(c2=O)c3ccccc3)C)C 271570a_100010895218_100009813935 [0,1,0,0,1,0|2,0,0]=4 40 B25R3.296980602 C=C(c1ccc(cc1)Cl)c2c(n(n(c2=O)c3ccccc3)C)C 271570a_100010171417_100009813935 [0,1,0,0,1,0|2,0,0]=4 41 B25R3.296980602 C=C(c1ccc(cc1)F)c2c(n(n(c2=O)c3ccccc3)C)C 271570a_100000068270_100009813935 [0,1,0,0,1,0|2,0,0]=4 42 B27R3.59748616 Cc1c(c(=O)n(n1C)c2ccccc2)OCC(=O)c3ccc(cc3)Br 34a_100000032164_100000188085 [0,1,0,0,0,1|2,0,0]=4 43 B27R3.59748616 Cc1c(c(=O)n(n1C)c2ccccc2)OCC(=O)c3ccc(cc3)I 34a_100000032164_100011216261 [0,1,0,0,0,1|2,0,0]=4 44 B27R3.59748616 Cc1c(c(=O)n(n1C)c2ccccc2)OCC(=O)c3ccc(cc3)O 34a_100000032164_100009814261 [0,1,0,0,0,1|2,0,0]=4 45 B27R3.59748616 Cc1ccc(cc1)C(=O)COc2c(n(n(c2=O)c3ccccc3)C)C 34a_100000032164_100000211441 [0,1,0,0,0,1|2,0,0]=4 46 B27R3.171830473 Cc1c(c(=O)n(n1C)c2ccccc2)OCC(=O)c3ccccc3Br 34a_100000032164_100000199116 [0,1,0,0,0,1|2,0,0]=4 47 B27R3.171830473 Cc1c(c(=O)n(n1C)c2ccccc2)OCC(=O)c3ccccc3Cl 34a_100000032164_100000211432 [0,1,0,0,0,1|2,0,0]=4 48 B27R3.171830473 Cc1c(c(=O)n(n1C)c2ccccc2)OCC(=O)c3ccccc3F 34a_100000032164_100000204681 [0,1,0,0,0,1|2,0,0]=4 49 B27R3.171830473 Cc1ccccc1C(=O)COc2c(n(n(c2=O)c3ccccc3)C)C 34a_100000032164_100000741374 [0,1,0,0,0,1|2,0,0]=4 50 B27R3.266849389 Cc1c(c(=O)n(n1C)c2ccccc2)OCC(=O)c3cccc(c3)Br 34a_100000032164_100000212080 [0,1,0,0,0,1|2,0,0]=4 51 B27R3.266849389 Cc1c(c(=O)n(n1C)c2ccccc2)OCC(=O)c3cccc(c3)Cl 34a_100000032164_100000211444 [0,1,0,0,0,1|2,0,0]=4 52 B27R3.266849389 Cc1c(c(=O)n(n1C)c2ccccc2)OCC(=O)c3cccc(c3)F 34a_100000032164_100000215616 [0,1,0,0,0,1|2,0,0]=4 53 B27R3.266849389 Cc1c(c(=O)n(n1C)c2ccccc2)OCC(=O)c3cccc(c3)O 34a_100000032164_100009813753 [0,1,0,0,0,1|2,0,0]=4 54 B27R3.266849389 Cc1cccc(c1)C(=O)COc2c(n(n(c2=O)c3ccccc3)C)C 34a_100000032164_100000739480 [0,1,0,0,0,1|2,0,0]=4 55 B27R3.440757627 CNc1cccc(c1)C(=O)Nc2c(n(n(c2=O)c3ccccc3)C)C 2230a_100000680904_200000210301 [0,2,0,0,0,0|1,0,0]=3 56 B27R3.440757627 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)c3cccc(c3)N[13CH3] 2230a_100000680904_200025704644 [0,2,0,0,0,0|1,0,0]=3 57 B25R3.2568999 CC1=NN(C(=O)C1NC(=O)Cc2cccnc2)c3ccccc3 11a_200025744275_100000737805 [1,0,0,0,0,1|0,0,2]=4 58 B25R3.2568999 CC1=NN(C(=O)C1NC(=O)Cc2cccnc2)c3ccccc3 240690a_200025744275_100000737805 [1,0,0,0,0,1|0,0,2]=4 59 B25R3.5663788 Cc1c(c(=O)n(n1C)c2ccccc2)C=CCc3ccccc3 271570a_200016263579_100009813935 [1,0,0,0,0,1|2,0,0]=4 60 B25R3.5663788 Cc1c(c(=O)n(n1C)c2ccccc2)C=NNc3cccnc3 4a_100000728903_100000289574 [1,0,0,0,0,1|1,0,1]=4 61 B25R3.5661297 Cc1c(c(=O)n(n1C)c2ccccc2)OCC(=O)c3ccsc3 34a_100000032164_100011219462 [0,0,0,0,1,1|2,0,0]=4 62 B27R3.8032624 Cc1c(c(=O)n(n1C)c2ccccc2)OCC(=O)Nc3ccccc3 34a_100000032164_100000182850 [0,0,0,0,0,2|2,0,0]=4 63 B27R3.8032624 Cc1c(c(=O)n(n1C)c2ccccc2)OCC(=O)Oc3ccccc3 34a_100000032164_100009813826 [0,0,0,0,0,2|2,0,0]=4 64 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)CNc3ccccc3 34a_100000106764_100000389365 [0,0,0,0,0,2|1,0,0]=3 65 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)COc3ccccc3 34a_100000210340_100000389365 [0,0,0,0,0,2|1,0,0]=3 66 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)COc3ccccc3 7a_100000210340_100000389365 [0,0,0,0,0,2|1,0,0]=3 67 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)COc3cccnc3 34a_100000210849_100000389365 [0,0,0,0,0,2|0,0,0]=2 68 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)COc3cccnc3 7a_100000210849_100000389365 [0,0,0,0,0,2|0,0,0]=2 69 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)COc3ccncc3 34a_100000212176_100000389365 [0,0,0,0,0,2|2,0,0]=4 70 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)COc3ccnnc3 34a_100015204005_100000389365 [0,0,0,0,0,2|1,0,0]=3 71 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)COc3cncnc3 7a_100000754086_100000389365 [0,0,0,0,0,2|1,0,0]=3 72 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)CSc3ccccc3 62a_100000719477_100000389365 [0,0,0,0,0,2|1,0,0]=3 73 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)CSc3ccccn3 62a_100011216584_100000389365 [0,0,0,0,0,2|2,0,0]=4 74 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)CSc3cccnc3 62a_100000210063_100000389365 [0,0,0,0,0,2|0,0,0]=2 75 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)CSc3cccnn3 62a_100016991348_100000389365 [0,0,0,0,0,2|1,0,0]=3 76 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)CSc3ccncc3 62a_100000728582_100000389365 [0,0,0,0,0,2|2,0,0]=4 77 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)CSc3ccnnc3 62a_100000732662_100000389365 [0,0,0,0,0,2|1,0,0]=3 78 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)CSc3cnccn3 62a_100000211759_100000389365 [0,0,0,0,0,2|1,0,0]=3 79 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)CSc3cncnc3 62a_100011206942_100000389365 [0,0,0,0,0,2|1,0,0]=3 80 B27R3.8032688 Cc1c(c(=O)n(n1C)c2ccccc2)NC(=O)CSc3cnnnc3 62a_100009846058_100000389365 [0,0,0,0,0,2|2,0,0]=4 81 B27R3.8032604 Cc1c(c(=O)n(n1C)c2ccccc2)C=NNC(=O)c3ccccc3 4a_100000184135_100000289574 [0,0,0,0,0,2|1,0,0]=3 82 B27R3.8032604 Cc1c(c(=O)n(n1C)c2ccccc2)C=NNC(=O)c3ccccn3 4a_100000184044_100000289574 [0,0,0,0,0,2|2,0,0]=4 83 B27R3.8032604 Cc1c(c(=O)n(n1C)c2ccccc2)C=NNC(=O)c3cccnc3 4a_100000189771_100000289574 [0,0,0,0,0,2|0,0,0]=2 84 B27R3.8032604 Cc1c(c(=O)n(n1C)c2ccccc2)C=NNC(=O)c3ccncc3 4a_100000189768_100000289574 [0,0,0,0,0,2|2,0,0]=4 85 B27R3.8032604 Cc1c(c(=O)n(n1C)c2ccccc2)C=NNC(=O)c3cnccn3 4a_100000189795_100000289574 [0,0,0,0,0,2|1,0,0]=3