0 B30R4.380525566 COCC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4 AIFCHEM-95552796679 [1,0,0,0,0,0|2,0,0]=3 1 B30R4.380525566 COCC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4cccnc4 AIFCHEM-94953817876 [1,0,0,0,0,0|3,0,0]=4 2 B30R4.380525566 COCC(=O)Nc1n[nH]c2c1cc(cn2)c3cnn(c3)Cc4ccccc4 AIFCHEM-94955192740 [1,0,0,0,0,0|3,0,0]=4 3 B30R4.380525566 CSCC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4 AIFCHEM-98578284302 [1,0,0,0,0,0|2,0,0]=3 4 B30R4.380525566 CSCC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4cccnc4 AIFCHEM-98578080049 [1,0,0,0,0,0|3,0,0]=4 5 B30R4.380525566 CSCC(=O)Nc1n[nH]c2c1cc(cn2)c3cnn(c3)Cc4ccccc4 AIFCHEM-98578707693 [1,0,0,0,0,0|3,0,0]=4 6 B32R4.727621923 CC(C)(O)CC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4 AIFCHEM-99593491708 [0,1,0,0,0,0|2,0,0]=3 7 B32R5.27494478 CC1CC1C(=O)Nc2n[nH]c3c2cc(cc3)c4cnn(c4)Cc5ccccc5 AIFCHEM-95828042823 [0,0,0,1,0,0|2,0,0]=3 8 B32R5.27494478 CC1CC1C(=O)Nc2n[nH]c3c2cc(cc3)c4cnn(c4)Cc5cccnc5 AIFCHEM-95828830944 [0,0,0,1,0,0|3,0,0]=4 9 B32R5.27494478 CC1CC1C(=O)Nc2n[nH]c3c2cc(cn3)c4cnn(c4)Cc5ccccc5 AIFCHEM-95828659154 [0,0,0,1,0,0|3,0,0]=4 10 B32R5.27494478 C[C@@H]1C[C@H]1C(=O)Nc2n[nH]c3c2cc(cc3)c4cnn(c4)Cc5ccccc5 AIFCHEM-99184513387 [0,0,0,1,0,0|2,0,0]=3 11 B32R5.27494478 C[C@H]1C[C@@H]1C(=O)Nc2n[nH]c3c2cc(cc3)c4cnn(c4)Cc5ccccc5 AIFCHEM-95665801795 [0,0,0,1,0,0|2,0,0]=3 12 B32R5.27494478 C[C@H]1C[C@@H]1C(=O)Nc2n[nH]c3c2cc(cc3)c4cnn(c4)Cc5cccnc5 AIFCHEM-95828830945 [0,0,0,1,0,0|3,0,0]=4 13 B32R5.27494478 O=C(Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4)C5CC5F AIFCHEM-95552833520 [0,0,0,1,0,0|3,0,0]=4 14 B32R5.27494478 O=C(Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4)[C@@H]5C[C@@H]5F AIFCHEM-94684495093 [0,0,0,1,0,0|3,0,0]=4 15 B32R5.27494478 O=C(Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4)[C@@H]5C[C@H]5F AIFCHEM-95552833518 [0,0,0,1,0,0|3,0,0]=4 16 B32R5.27494478 O=C(Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4)[C@H]5C[C@@H]5F AIFCHEM-98554960663 [0,0,0,1,0,0|3,0,0]=4 17 B32R5.27494478 O=C(Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4)[C@H]5C[C@H]5F AIFCHEM-97145781923 [0,0,0,1,0,0|3,0,0]=4 18 B32R5.127651331 O=C(CC1CC1)Nc2n[nH]c3c2cc(cc3)c4cnn(c4)Cc5ccccc5 AIFCHEM-98488746557 [0,0,0,1,0,0|2,0,0]=3 19 B32R5.127651331 O=C(CC1CC1)Nc2n[nH]c3c2cc(cc3)c4cnn(c4)Cc5cccnc5 AIFCHEM-98488543564 [0,0,0,1,0,0|3,0,0]=4 20 B32R5.127651331 O=C(CC1CC1)Nc2n[nH]c3c2cc(cn3)c4cnn(c4)Cc5ccccc5 AIFCHEM-98489153768 [0,0,0,1,0,0|3,0,0]=4 21 B30R4.1108365136 CC(C)NC(=O)c1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4 AIFCHEM-95552846955 [0,0,0,0,1,0|3,0,0]=4 22 B32R4.712854362 CC(C)OCC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4 AIFCHEM-98832451447 [0,0,0,0,0,1|2,0,0]=3 23 B32R4.712854362 CC(C)OCC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4cccnc4 AIFCHEM-98832005354 [0,0,0,0,0,1|3,0,0]=4 24 B32R4.712854362 CC(C)SCC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4 AIFCHEM-99973590583 [0,0,0,0,0,1|2,0,0]=3 25 B32R4.712854362 CC(C)SCC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4cccnc4 AIFCHEM-99973089450 [0,0,0,0,0,1|3,0,0]=4 26 B31R4.431359152 COCC(=O)Nc1nn(c2c1cc(cc2)c3cnn(c3)Cc4ccccc4)C AIFCHEM-94238272885 [1,1,0,0,0,0|2,0,0]=4 27 B31R4.431359152 CSCC(=O)Nc1nn(c2c1cc(cc2)c3cnn(c3)Cc4ccccc4)C AIFCHEM-81073677981 [1,1,0,0,0,0|2,0,0]=4 28 B31R4.554228819 COCCC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4 AIFCHEM-100339189418 [1,1,0,0,0,0|2,0,0]=4 29 B31R4.554228819 CSCCC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4 AIFCHEM-96281831366 [1,1,0,0,0,0|2,0,0]=4 30 B31R4.1081743325 COCC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4F AIFCHEM-95628557083 [1,1,0,0,0,0|2,0,0]=4 31 B31R4.278200212 Cc1c(cnn1c2ccccc2)c3ccc4[nH]nc(c4c3)NC(=O)CC(C)C AIFCHEM-100489664310 [0,1,0,0,1,0|2,0,0]=4 32 B33R4.1202586436 CC(C)(C)OCC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4 AIFCHEM-97541979053 [0,1,0,0,0,1|2,0,0]=4 33 B33R4.699246837 COC(CC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4)OC AIFCHEM-100067337084 [0,2,0,0,0,0|2,0,0]=4 34 B33R4.805018408 CCSC(C)CC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4 AIFCHEM-95947483216 [0,2,0,0,0,0|2,0,0]=4 35 B31R4.72206872 CC(C)CC(=O)Nc1cc2ccc(cn2n1)c3cnn(c3)Cc4ccccc4 AIFCHEM-100489626954 [0,0,1,1,0,0|2,0,0]=4 36 B31R4.72208174 CC(C)CC(=O)Nc1cc2c(cccn2n1)c3cnn(c3)Cc4ccccc4 AIFCHEM-100489470832 [0,0,1,1,0,0|2,0,0]=4 37 B31R5.184061619 O=C(Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4)C5CC5 AIFCHEM-95552805313 [1,0,0,1,0,0|2,0,0]=4 38 B31R5.5309978 CC1CC1C(=O)Nc2n[nH]c3c2cc(cc3)c4cnn(c4)c5ccccc5 AIFCHEM-98037481094 [0,0,0,1,1,0|2,0,0]=4 39 B31R5.5309978 C[C@H]1C[C@@H]1C(=O)Nc2n[nH]c3c2cc(cc3)c4cnn(c4)c5ccccc5 AIFCHEM-98037481095 [0,0,0,1,1,0|2,0,0]=4 40 B31R5.49317594 O=C(CC1CC1)Nc2n[nH]c3c2cc(cc3)c4cnn(c4)c5ccccc5 AIFCHEM-98037481909 [0,0,0,1,1,0|2,0,0]=4 41 B33R5.58269425 CC1CC(C1)C(=O)Nc2n[nH]c3c2cc(cc3)c4cnn(c4)Cc5ccccc5 AIFCHEM-99644453549 [0,0,0,1,0,1|2,0,0]=4 42 B33R5.326811582 O=C(CCC1CC1)Nc2n[nH]c3c2cc(cc3)c4cnn(c4)Cc5ccccc5 AIFCHEM-100517479177 [0,0,0,1,0,1|2,0,0]=4 43 B33R5.76024895 O=C(CC1CC1)Nc2n[nH]c3c2cc(cc3)c4cnn(c4)Cc5ccccc5F AIFCHEM-95628573491 [0,1,0,1,0,0|2,0,0]=4 44 B33R5.330273283 O=C(CC1CCC1)Nc2n[nH]c3c2cc(cc3)c4cnn(c4)Cc5ccccc5 AIFCHEM-94784467407 [0,1,0,1,0,0|2,0,0]=4 45 B33R5.330273283 O=C(CC1COC1)Nc2n[nH]c3c2cc(cc3)c4cnn(c4)Cc5ccccc5 AIFCHEM-98810216211 [0,1,0,1,0,0|2,0,0]=4 46 B29R4.640399747 COCC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)c4ccccc4 AIFCHEM-95667361077 [1,0,0,0,1,0|2,0,0]=4 47 B33R4.890527207 CC(C)COCC(=O)Nc1n[nH]c2c1cc(cc2)c3cnn(c3)Cc4ccccc4 AIFCHEM-95415725299 [0,0,0,0,0,2|2,0,0]=4