0 B31R3.697488688 CCOc1ccccc1C(=O)NCCCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2 11a_100015206438_100000601381 [0,0,1,0,0,0|2,0,1]=4 1 B31R3.697488688 CCOc1ccccc1C(=O)NCCCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2 240690a_100015206438_100000601381 [0,0,1,0,0,0|2,0,1]=4 2 B31R3.697488688 CCOc1ccccc1C(=O)NCCCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2 527a_100015206438_100000601381 [0,0,1,0,0,0|2,0,1]=4 3 B31R4.650338282 CC(NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4s3 11a_100000213967_100000267538 [0,0,0,0,1,0|2,0,0]=3 4 B31R4.650338282 CC(NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4s3 1626a_100000213967_100000267538 [0,0,0,0,1,0|2,0,0]=3 5 B31R4.650338282 CC(NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4s3 240690a_100000213967_100000267538 [0,0,0,0,1,0|2,0,0]=3 6 B31R4.650338282 C[C@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4[nH]3 11a_100015206438_100000267538 [0,0,0,0,1,0|1,0,0]=2 7 B31R4.650338282 C[C@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4[nH]3 240690a_100015206438_100000267538 [0,0,0,0,1,0|1,0,0]=2 8 B31R4.651494495 CC(NC(=O)CCN1C(=O)Cc2ccccc2C1=O)c3nc4ccccc4s3 240690a_100000213967_100000269930 [0,0,0,0,1,0|3,0,0]=4 9 B31R4.651494495 C[C@H](NC(=O)CCN1C(=O)Cc2ccccc2C1=O)c3nc4ccccc4[nH]3 240690a_100015206438_100000269930 [0,0,0,0,1,0|2,0,0]=3 10 B31R4.651494495 O=C(CCn1c(=O)[nH]c2ccccc2c1=O)CC(O)c3nc4ccccc4[nH]3 1458a_100000011586_100000039564 [0,0,0,0,1,0|3,0,0]=4 11 B30R3.101092246 CC(NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)C(=O)Nc3ccccc3 11a_100000754830_100000267538 [0,0,1,0,1,0|2,0,0]=4 12 B30R3.101092246 CC(NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)C(=O)Nc3ccccc3 1626a_100000754830_100000267538 [0,0,1,0,1,0|2,0,0]=4 13 B30R3.101092246 CC(NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)C(=O)Nc3ccccc3 240690a_100000754830_100000267538 [0,0,1,0,1,0|2,0,0]=4 14 B30R4.225245993 O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc3cc4ccccc4[nH]3 11a_100015204011_100000267538 [1,0,0,0,1,0|2,0,0]=4 15 B30R4.225245993 O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc3cc4ccccc4[nH]3 240690a_100015204011_100000267538 [1,0,0,0,1,0|2,0,0]=4 16 B30R4.225245993 O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc3nc4ccccc4[nH]3 240690a_100000729406_100000267538 [1,0,0,0,1,0|1,0,0]=3 17 B30R4.225245993 O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc3nc4ccccc4o3 11a_100000733820_100000267538 [1,0,0,0,1,0|2,0,0]=4 18 B30R4.225245993 O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc3nc4ccccc4o3 1626a_100000733820_100000267538 [1,0,0,0,1,0|2,0,0]=4 19 B30R4.225245993 O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc3nc4ccccc4o3 240690a_100000733820_100000267538 [1,0,0,0,1,0|2,0,0]=4 20 B30R4.225245993 O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc3nc4ccccc4s3 11a_100000174905_100000267538 [1,0,0,0,1,0|2,0,0]=4 21 B30R4.225245993 O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc3nc4ccccc4s3 1626a_100000174905_100000267538 [1,0,0,0,1,0|2,0,0]=4 22 B30R4.225245993 O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc3nc4ccccc4s3 240690a_100000174905_100000267538 [1,0,0,0,1,0|2,0,0]=4 23 B30R4.225245993 O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NNc3nc4ccccc4[nH]3 22a_100000188875_100000267538 [1,0,0,0,1,0|2,0,0]=4 24 B30R4.227799856 O=C(CCN1C(=O)Cc2ccccc2C1=O)NCc3nc4ccccc4[nH]3 240690a_100000729406_100000269930 [1,0,0,0,1,0|2,0,0]=4 25 B30R4.227799856 O=C(CCc1nc2ccccc2[nH]1)CCn3c(=O)[nH]c4ccccc4c3=O 1458a_100102526157_100000039564 [1,0,0,0,1,0|2,0,0]=4 26 B30R4.40849692 C[C@H](NC(=O)CCc1nc2ccccc2[nH]c1=O)c3nc4ccccc4[nH]3 240690a_100015206438_100000010020 [1,0,0,0,1,0|0,0,2]=4 27 B30R4.552255037 C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c3nc4ccccc4[nH]3 11a_100015206438_100000182978 [1,0,0,0,1,0|0,0,2]=4 28 B30R4.552255037 C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c3nc4ccccc4[nH]3 240690a_100015206438_100000182978 [1,0,0,0,1,0|0,0,2]=4 29 B30R4.552255037 C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c3nc4ccccc4[nH]3 527a_100015206438_100000182978 [1,0,0,0,1,0|0,0,2]=4 30 B30R4.425834974 C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c3nc4ccccc4[nH]3 11a_100015206438_100000241004 [0,0,0,0,2,0|2,0,0]=4 31 B30R4.425834974 C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c3nc4ccccc4[nH]3 240690a_100015206438_100000241004 [0,0,0,0,2,0|2,0,0]=4 32 B30R4.425834974 CC(NC(=O)CCN1C(=O)c2ccccc2C1=O)c3nc4ccccc4s3 11a_100000213967_100000180851 [0,0,0,0,2,0|2,0,0]=4 33 B30R4.425834974 CC(NC(=O)CCN1C(=O)c2ccccc2C1=O)c3nc4ccccc4s3 1626a_100000213967_100000180851 [0,0,0,0,2,0|2,0,0]=4 34 B30R4.425834974 CC(NC(=O)CCN1C(=O)c2ccccc2C1=O)c3nc4ccccc4s3 240690a_100000213967_100000180851 [0,0,0,0,2,0|2,0,0]=4 35 B30R4.425834974 CC(NC(=O)CCN1C(=O)c2ccccc2C1=O)c3nc4ccccc4s3 527a_100000213967_100000180851 [0,0,0,0,2,0|2,0,0]=4 36 B30R4.425834974 C[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c3nc4ccccc4[nH]3 11a_100015206438_100000180851 [0,0,0,0,2,0|1,0,0]=3 37 B30R4.425834974 C[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c3nc4ccccc4[nH]3 240690a_100015206438_100000180851 [0,0,0,0,2,0|1,0,0]=3 38 B30R4.425834974 C[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c3nc4ccccc4[nH]3 527a_100015206438_100000180851 [0,0,0,0,2,0|1,0,0]=3 39 B30R4.540157159 CC(NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4s3 11a_100000213967_100000183095 [0,0,0,0,2,0|2,0,0]=4 40 B30R4.540157159 CC(NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4s3 240690a_100000213967_100000183095 [0,0,0,0,2,0|2,0,0]=4 41 B30R4.540157159 CC(NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4s3 527a_100000213967_100000183095 [0,0,0,0,2,0|2,0,0]=4 42 B30R4.540157159 C[C@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4[nH]3 11a_100015206438_100000183095 [0,0,0,0,2,0|1,0,0]=3 43 B30R4.540157159 C[C@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4[nH]3 240690a_100015206438_100000183095 [0,0,0,0,2,0|1,0,0]=3 44 B30R4.540157159 C[C@H](NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4[nH]3 527a_100015206438_100000183095 [0,0,0,0,2,0|1,0,0]=3 45 B30R4.540785167 CC(NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c3nc4ccccc4s3 11a_100000213967_100000737374 [0,0,0,0,2,0|2,0,0]=4 46 B30R4.540785167 CC(NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c3nc4ccccc4s3 1626a_100000213967_100000737374 [0,0,0,0,2,0|2,0,0]=4 47 B30R4.540785167 CC(NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c3nc4ccccc4s3 240690a_100000213967_100000737374 [0,0,0,0,2,0|2,0,0]=4 48 B30R4.540785167 CC(NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c3nc4ccccc4s3 527a_100000213967_100000737374 [0,0,0,0,2,0|2,0,0]=4 49 B30R4.540785167 C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c3nc4ccccc4[nH]3 11a_100015206438_100000737374 [0,0,0,0,2,0|1,0,0]=3 50 B30R4.540785167 C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c3nc4ccccc4[nH]3 240690a_100015206438_100000737374 [0,0,0,0,2,0|1,0,0]=3 51 B30R4.540785167 C[C@H](NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)c3nc4ccccc4[nH]3 527a_100015206438_100000737374 [0,0,0,0,2,0|1,0,0]=3 52 B32R4.660871162 CC(NC(=O)NCCn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4s3 2708a_100000213967_100011609433 [0,0,0,0,1,1|2,0,0]=4 53 B32R4.660871162 CC(NC(=O)NCCn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4s3 2708a_100011609433_100000213967 [0,0,0,0,1,1|2,0,0]=4 54 B32R4.660871162 CC(NC(=O)NCCn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4s3 273464a_100000213967_100011609433 [0,0,0,0,1,1|2,0,0]=4 55 B32R4.660871162 CC(NC(=O)NCCn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4s3 273464a_100011609433_100000213967 [0,0,0,0,1,1|2,0,0]=4 56 B32R4.660871162 CC(NC(=O)NCCn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4s3 512a_100000213967_100011609433 [0,0,0,0,1,1|2,0,0]=4 57 B32R4.660871162 C[C@H](NC(=O)NCCn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4[nH]3 2708a_100011609433_100015206438 [0,0,0,0,1,1|1,0,0]=3 58 B32R4.660871162 C[C@H](NC(=O)NCCn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4[nH]3 2708a_100015206438_100011609433 [0,0,0,0,1,1|1,0,0]=3 59 B32R4.660871162 C[C@H](NC(=O)NCCn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4[nH]3 273464a_100011609433_100015206438 [0,0,0,0,1,1|1,0,0]=3 60 B32R4.660871162 C[C@H](NC(=O)NCCn1[nH]c(=O)c2ccccc2c1=O)c3nc4ccccc4[nH]3 273464a_100015206438_100011609433 [0,0,0,0,1,1|1,0,0]=3 61 B32R4.661903585 CC(SCC(=O)CCn1c(=O)[nH]c2ccccc2c1=O)c3nc4ccccc4[nH]3 1458a_100000008392_100000039564 [0,0,0,0,1,1|2,0,0]=4