0 B30R3.1598622618 CCCCC(NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)OC 188690a_100000701681_200011912536 [0,0,0,0,0,0|1,0,0]=1 1 B30R3.1598622618 COC(=O)[C@@H](CCSC)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 188690a_100020625969_200011912536 [0,0,0,0,0,0|0,0,0]=0 2 B29R3.1290302429 C#CC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)OC 188690a_100020627700_200011912536 [1,0,0,0,0,0|0,0,2]=3 3 B29R3.1290302429 C=CC[C@@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)OC 188690a_100020629983_200011912536 [1,0,0,0,0,0|0,0,2]=3 4 B29R3.1290302429 CCCC(NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)NC 11a_106256046333_200011912536 [1,0,0,0,0,0|1,0,0]=2 5 B29R3.1290302429 CCCC(NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)NC 1626a_106256046333_200011912536 [1,0,0,0,0,0|1,0,0]=2 6 B29R3.1290302429 CCCC(NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)NC 240690a_106256046333_200011912536 [1,0,0,0,0,0|1,0,0]=2 7 B29R3.1290302429 CCCC(NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)NC 527a_106256046333_200011912536 [1,0,0,0,0,0|1,0,0]=2 8 B29R3.1290302429 CCCC(NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)OC 188690a_100000696665_200011912536 [1,0,0,0,0,0|0,0,0]=1 9 B29R3.1290302429 COC(=O)[C@H](CSC)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 188690a_100015184942_200011912536 [1,0,0,0,0,0|0,0,0]=1 10 B29R3.1290302429 COC[C@@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)OC 188690a_100025726687_200011912536 [1,0,0,0,0,0|0,1,0]=2 11 B29R3.1458931297 CCCC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)N 11a_100000124899_200011912536 [1,0,0,0,0,0|2,0,0]=3 12 B29R3.1458931297 CCCC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)N 1626a_100000124899_200011912536 [1,0,0,0,0,0|2,0,0]=3 13 B29R3.1458931297 CCCC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)N 240690a_100000124899_200011912536 [1,0,0,0,0,0|2,0,0]=3 14 B29R3.1458931297 CCCC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)N 527a_100000124899_200011912536 [1,0,0,0,0,0|2,0,0]=3 15 B29R3.1458931297 CSCC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)N 11a_100000119342_200011912536 [1,0,0,0,0,0|1,0,0]=2 16 B29R3.1458931297 CSCC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)N 1626a_100000119342_200011912536 [1,0,0,0,0,0|1,0,0]=2 17 B29R3.1458931297 CSCC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)N 240690a_100000119342_200011912536 [1,0,0,0,0,0|1,0,0]=2 18 B29R3.1458931297 CSCC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)N 527a_100000119342_200011912536 [1,0,0,0,0,0|1,0,0]=2 19 B31R3.1380826263 CCCCCC(NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)NC 11a_200121577139_200011912536 [0,1,0,0,0,0|2,0,0]=3 20 B31R3.1380826263 CCCCCC(NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)NC 1626a_200121577139_200011912536 [0,1,0,0,0,0|2,0,0]=3 21 B31R3.1380826263 CCCCCC(NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)NC 240690a_200121577139_200011912536 [0,1,0,0,0,0|2,0,0]=3 22 B31R3.1380826263 CCCCCC(NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)NC 527a_200121577139_200011912536 [0,1,0,0,0,0|2,0,0]=3 23 B31R3.2915167520 CCOC(=O)[C@H](CCSC)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 188690a_100016988351_200011912536 [0,1,0,0,0,0|0,0,0]=1 24 B29R2.238913087 COC(=O)[C@@H](CCSC)NC(=O)c1ccc(c(c1)OCc2ccccc2)OC 188690a_100020625969_100000187879 [0,0,1,0,0,0|2,0,1]=4 25 B31R4.98814305 CNC(=O)C1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100011209383_200011912536 [0,0,0,1,0,0|2,0,0]=3 26 B31R4.98814305 CNC(=O)C1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100011209383_200011912536 [0,0,0,1,0,0|2,0,0]=3 27 B31R4.98814305 CNC(=O)C1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100011209383_200011912536 [0,0,0,1,0,0|2,0,0]=3 28 B31R4.98814305 COC(=O)C1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100000734855_200011912536 [0,0,0,1,0,0|1,0,0]=2 29 B31R4.98814305 COC(=O)C1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 1626a_100000734855_200011912536 [0,0,0,1,0,0|1,0,0]=2 30 B31R4.98814305 COC(=O)C1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100000734855_200011912536 [0,0,0,1,0,0|1,0,0]=2 31 B31R4.98814305 COC(=O)C1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100000734855_200011912536 [0,0,0,1,0,0|1,0,0]=2 32 B31R4.98814305 COC(=O)C1COCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100000765174_200011912536 [0,0,0,1,0,0|2,0,0]=3 33 B31R4.98814305 COC(=O)C1COCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100000765174_200011912536 [0,0,0,1,0,0|2,0,0]=3 34 B31R4.237537226 CN1CCCCC(C1=O)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100159325733_200011912536 [0,0,0,1,0,0|2,0,0]=3 35 B31R4.237537226 CN1CCCCC(C1=O)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 1626a_100159325733_200011912536 [0,0,0,1,0,0|2,0,0]=3 36 B31R4.237537226 CN1CCCCC(C1=O)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100159325733_200011912536 [0,0,0,1,0,0|2,0,0]=3 37 B31R4.237537226 CN1CCCCC(C1=O)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100159325733_200011912536 [0,0,0,1,0,0|2,0,0]=3 38 B31R4.897487068 COC(=O)[C@H](CC1CC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 188690a_200134616747_200011912536 [0,0,0,1,0,0|1,0,0]=2 39 B31R4.901240362 COC(=O)C1(CCCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 188690a_100000736390_200011912536 [0,0,0,1,0,0|1,0,0]=2 40 B31R4.901240362 COC(=O)C1(CCOC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 188690a_100000686312_200011912536 [0,0,0,1,0,0|0,1,0]=2 41 B31R4.908792471 COC(=O)C(NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C4CCC4 188690a_100020673065_200011912536 [0,0,0,1,0,0|1,0,0]=2 42 B29R3.42577039 CCCCC(C(=O)OC)C(=O)c1ccc2ccn(c2c1)Cc3ccccc3 1458a_200011912536_100000750740 [0,0,0,0,1,0|1,0,0]=2 43 B28R2.13550496 COC(=O)[C@@H](CCSC)NC(=O)c1ccc(c(c1)OCc2ccccc2)Br 188690a_100020625969_100012354037 [1,0,1,0,0,0|2,0,0]=4 44 B28R3.87109785 CC[C@@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)OC 188690a_100020627782_200011912536 [2,0,0,0,0,0|0,0,0]=2 45 B28R3.87109785 CC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)NC 11a_106657271573_200011912536 [2,0,0,0,0,0|1,0,0]=3 46 B28R3.87109785 CC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)NC 1626a_106657271573_200011912536 [2,0,0,0,0,0|1,0,0]=3 47 B28R3.87109785 CC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)NC 240690a_106657271573_200011912536 [2,0,0,0,0,0|1,0,0]=3 48 B28R3.87109785 CC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)NC 527a_106657271573_200011912536 [2,0,0,0,0,0|1,0,0]=3 49 B28R3.87109785 COC(=O)[C@@H](CO)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 188690a_100000003586_200011912536 [2,0,0,0,0,0|0,1,0]=3 50 B28R3.113109149 CCCC(CCC)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 11a_100011207992_200011912536 [2,0,0,0,0,0|1,0,1]=4 51 B28R3.113109149 CCCC(CCC)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 1626a_100011207992_200011912536 [2,0,0,0,0,0|1,0,1]=4 52 B28R3.113109149 CCCC(CCC)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 240690a_100011207992_200011912536 [2,0,0,0,0,0|1,0,1]=4 53 B28R3.113109149 CCCC(CCC)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 527a_100011207992_200011912536 [2,0,0,0,0,0|1,0,1]=4 54 B28R3.113109149 COCC(COC)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 11a_100011997029_200011912536 [2,0,0,0,0,0|0,1,1]=4 55 B28R3.113109149 COCC(COC)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 1626a_100011997029_200011912536 [2,0,0,0,0,0|0,1,1]=4 56 B28R3.113109149 COCC(COC)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 240690a_100011997029_200011912536 [2,0,0,0,0,0|0,1,1]=4 57 B28R3.113109149 COCC(COC)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 527a_100011997029_200011912536 [2,0,0,0,0,0|0,1,1]=4 58 B28R3.131058431 CCC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)N 11a_100000729256_200011912536 [2,0,0,0,0,0|1,0,0]=3 59 B28R3.131058431 CCC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)N 1626a_100000729256_200011912536 [2,0,0,0,0,0|1,0,0]=3 60 B28R3.131058431 CCC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)N 240690a_100000729256_200011912536 [2,0,0,0,0,0|1,0,0]=3 61 B28R3.131058431 CCC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)N 527a_100000729256_200011912536 [2,0,0,0,0,0|1,0,0]=3 62 B28R3.90698777 CCCC[C@@H](CO)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 240690a_100011934283_200011912536 [2,0,0,0,0,0|1,0,1]=4 63 B28R3.90698777 CCCC[C@@H](CO)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 527a_100011934283_200011912536 [2,0,0,0,0,0|1,0,1]=4 64 B28R3.90698777 CSCC[C@@H](CO)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 240690a_100011827619_200011912536 [2,0,0,0,0,0|0,0,1]=3 65 B28R3.90698777 CSCC[C@@H](CO)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 527a_100011827619_200011912536 [2,0,0,0,0,0|0,0,1]=3 66 B30R3.555338689 C#CCC(NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)OCC 188690a_100138413439_200011912536 [1,1,0,0,0,0|0,0,2]=4 67 B30R3.555338689 CCC[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)OCC 188690a_100000056038_200011912536 [1,1,0,0,0,0|0,0,0]=2 68 B30R3.555338689 CCOC(=O)C(CSC)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 188690a_100025773501_200011912536 [1,1,0,0,0,0|0,0,0]=2 69 B30R3.829248971 C=C(C)CC(NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)OC 188690a_103436540025_200011912536 [1,1,0,0,0,0|0,0,1]=3 70 B30R3.829248971 COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 188690a_100000005450_200011912536 [1,1,0,0,0,0|0,0,0]=2 71 B30R3.831529063 CC[C@H](C)[C@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)OC 188690a_100000744154_200011912536 [1,1,0,0,0,0|0,0,0]=2 72 B30R3.831529063 COC(=O)C(NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C(=O)OC 188690a_100000005694_200011912536 [1,1,0,0,0,0|0,1,1]=4 73 B30R3.1666852192 CCCCC(C(=O)OCC)C(=O)c1ccc2ccn(c2c1)Cc3ccccc3 1458a_200011912536_200009813700 [0,1,0,0,1,0|1,0,0]=3 74 B32R3.413590445 CCCCC(CC(=O)OCC)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 188690a_100015183214_200011912536 [0,1,0,0,0,1|1,0,0]=3 75 B32R3.2779732153 COC(=O)[C@@H](COC(C)(C)C)NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3 188690a_100010883747_200011912536 [0,2,0,0,0,0|2,0,0]=4 76 B30R3.47543208 COC(=O)[C@@H](CCSC)NC(=O)c1ccc(cc1)c2cccc3c2cccc3 188690a_100020625969_200000816938 [0,0,1,1,0,0|1,0,1]=4 77 B30R3.47554281 COC(=O)[C@@H](CCSC)NC(=O)c1cccc(c1)c2ccc3ccccc3c2 188690a_100020625969_200000816946 [0,0,1,1,0,0|1,0,1]=4 78 B30R3.1599036347 COC(=O)[C@@H](CCSC)NC(=O)c1cccc2c1CN(C2)Cc3ccccc3 188690a_100020625969_100010209770 [0,0,1,1,0,0|0,0,2]=4 79 B30R4.15491422 COC1CCCCC1NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100011208099_200011912536 [1,0,0,1,0,0|1,0,1]=4 80 B30R4.15491422 COC1CCCCC1NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 1626a_100011208099_200011912536 [1,0,0,1,0,0|1,0,1]=4 81 B30R4.15491422 COC1CCCCC1NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100011208099_200011912536 [1,0,0,1,0,0|1,0,1]=4 82 B30R4.15491422 COC1CCCCC1NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100011208099_200011912536 [1,0,0,1,0,0|1,0,1]=4 83 B30R4.40721976 O=C(NC1CCCCNC1=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100000698827_200011912536 [1,0,0,1,0,0|1,0,0]=3 84 B30R4.40721976 O=C(NC1CCCCNC1=O)c2ccc3ccn(c3c2)Cc4ccccc4 1626a_100000698827_200011912536 [1,0,0,1,0,0|1,0,0]=3 85 B30R4.40721976 O=C(NC1CCCCNC1=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100000698827_200011912536 [1,0,0,1,0,0|1,0,0]=3 86 B30R4.40721976 O=C(NC1CCCCNC1=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100000698827_200011912536 [1,0,0,1,0,0|1,0,0]=3 87 B30R4.63397730 CNC(=O)[C@@H]1CCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100015185040_200011912536 [1,0,0,1,0,0|1,0,0]=3 88 B30R4.63397730 CNC(=O)[C@@H]1CCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 1626a_100015185040_200011912536 [1,0,0,1,0,0|1,0,0]=3 89 B30R4.63397730 CNC(=O)[C@@H]1CCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100015185040_200011912536 [1,0,0,1,0,0|1,0,0]=3 90 B30R4.63397730 CNC(=O)[C@@H]1CCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100015185040_200011912536 [1,0,0,1,0,0|1,0,0]=3 91 B30R4.63397730 COC(=O)C1CSCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_200000724679_200011912536 [1,0,0,1,0,0|0,0,0]=2 92 B30R4.63397730 COC(=O)C1CSCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_200000724679_200011912536 [1,0,0,1,0,0|0,0,0]=2 93 B30R4.63397730 COC(=O)C1SCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100015296106_200011912536 [1,0,0,1,0,0|1,0,0]=3 94 B30R4.63397730 COC(=O)C1SCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100015296106_200011912536 [1,0,0,1,0,0|1,0,0]=3 95 B30R4.63397730 COC(=O)C1SCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100015296106_200011912536 [1,0,0,1,0,0|1,0,0]=3 96 B30R4.63397730 COC(=O)[C@@H]1CCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100000752040_200011912536 [1,0,0,1,0,0|0,0,0]=2 97 B30R4.63397730 COC(=O)[C@@H]1CCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 1626a_100000752040_200011912536 [1,0,0,1,0,0|0,0,0]=2 98 B30R4.63397730 COC(=O)[C@@H]1CCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100000752040_200011912536 [1,0,0,1,0,0|0,0,0]=2 99 B30R4.63397730 COC(=O)[C@@H]1CCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100000752040_200011912536 [1,0,0,1,0,0|0,0,0]=2 100 B30R4.318302824 COC(=O)C1(CCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 188690a_100000691456_200011912536 [1,0,0,1,0,0|0,0,0]=2 101 B30R4.318302824 COC(=O)C1(COC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 188690a_100012754016_200011912536 [1,0,0,1,0,0|0,1,0]=3 102 B30R4.746906071 COC(=O)[C@@H](NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C4CC4 188690a_100016994651_200011912536 [1,0,0,1,0,0|0,0,0]=2 103 B30R4.50362778 COCC1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100015184032_200011912536 [1,0,0,1,0,0|1,0,1]=4 104 B30R4.50362778 COCC1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 1626a_100015184032_200011912536 [1,0,0,1,0,0|1,0,1]=4 105 B30R4.50362778 COCC1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100015184032_200011912536 [1,0,0,1,0,0|1,0,1]=4 106 B30R4.50362778 COCC1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100015184032_200011912536 [1,0,0,1,0,0|1,0,1]=4 107 B30R4.65374090 CCCCC1C=CCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100015184376_200011912536 [1,0,0,1,0,0|2,0,0]=4 108 B30R4.65374090 CCCCC1C=CCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 1626a_100015184376_200011912536 [1,0,0,1,0,0|2,0,0]=4 109 B30R4.65374090 CCCCC1C=CCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100015184376_200011912536 [1,0,0,1,0,0|2,0,0]=4 110 B30R4.65374090 CCCCC1C=CCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100015184376_200011912536 [1,0,0,1,0,0|2,0,0]=4 111 B30R4.1093878474 COCC1(CCCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100000757996_200011912536 [1,0,0,1,0,0|1,0,1]=4 112 B30R4.1093878474 COCC1(CCCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 1626a_100000757996_200011912536 [1,0,0,1,0,0|1,0,1]=4 113 B30R4.1093878474 COCC1(CCCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100000757996_200011912536 [1,0,0,1,0,0|1,0,1]=4 114 B30R4.1093878474 COCC1(CCCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100000757996_200011912536 [1,0,0,1,0,0|1,0,1]=4 115 B30R4.46948405 NC(=O)C1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 1626a_100000181395_200011912536 [1,0,0,1,0,0|2,0,0]=4 116 B30R4.46948405 NC(=O)C1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100000181395_200011912536 [1,0,0,1,0,0|2,0,0]=4 117 B30R4.581118109 NC(=O)C1(CCCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100000755618_200011912536 [1,0,0,1,0,0|2,0,0]=4 118 B30R4.581118109 NC(=O)C1(CCCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 1626a_100000755618_200011912536 [1,0,0,1,0,0|2,0,0]=4 119 B30R4.581118109 NC(=O)C1(CCCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100000755618_200011912536 [1,0,0,1,0,0|2,0,0]=4 120 B32R4.87305096 COC(=O)C1CCCCC1NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 188690a_100015195387_200011912536 [0,0,0,1,0,1|1,0,0]=3 121 B32R4.122349760 COC(=O)CC1COCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100000731486_200011912536 [0,0,0,1,0,1|2,0,0]=4 122 B32R4.122349760 COC(=O)CC1COCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 1626a_100000731486_200011912536 [0,0,0,1,0,1|2,0,0]=4 123 B32R4.122349760 COC(=O)CC1COCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100000731486_200011912536 [0,0,0,1,0,1|2,0,0]=4 124 B32R4.122349760 COC(=O)CC1COCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100000731486_200011912536 [0,0,0,1,0,1|2,0,0]=4 125 B32R4.87614062 COC(=O)C1CCC(N(C1)C(=O)c2ccc3ccn(c3c2)Cc4ccccc4)C 240690a_100020683642_200011912536 [0,0,0,1,0,1|1,0,0]=3 126 B32R4.142534474 COC(=O)[C@H]1C[C@@H](CN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4)OC 11a_100102420086_200011912536 [0,1,0,1,0,0|0,1,0]=3 127 B32R4.142534474 COC(=O)[C@H]1C[C@@H](CN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4)OC 1626a_100102420086_200011912536 [0,1,0,1,0,0|0,1,0]=3 128 B32R4.142534474 COC(=O)[C@H]1C[C@@H](CN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4)OC 240690a_100102420086_200011912536 [0,1,0,1,0,0|0,1,0]=3 129 B32R4.142534474 COC(=O)[C@H]1C[C@@H](CN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4)OC 527a_100102420086_200011912536 [0,1,0,1,0,0|0,1,0]=3 130 B32R4.382831760 COC(=O)[C@@H]1CNC(=O)CN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_200015373194_200011912536 [0,1,0,1,0,0|2,0,0]=4 131 B32R4.382831760 COC(=O)[C@@H]1CNC(=O)CN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 1626a_200015373194_200011912536 [0,1,0,1,0,0|2,0,0]=4 132 B32R4.382831760 COC(=O)[C@@H]1CNC(=O)CN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_200015373194_200011912536 [0,1,0,1,0,0|2,0,0]=4 133 B32R4.350124836 C=C[C@@H]1C[C@]1(NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4)C(=O)OCC 188690a_100102630678_200011912536 [0,1,0,1,0,0|1,0,1]=4 134 B32R4.377244989 COC(=O)C(NC(=O)c1ccc2ccn(c2c1)Cc3ccccc3)C4CCCC4 188690a_100020650512_200011912536 [0,1,0,1,0,0|1,0,0]=3 135 B32R4.467964210 CCC1SCC(N1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4)C(=O)OC 11a_200025745494_200011912536 [0,1,0,1,0,0|1,0,0]=3 136 B32R4.467964210 CCC1SCC(N1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4)C(=O)OC 1626a_200025745494_200011912536 [0,1,0,1,0,0|1,0,0]=3 137 B32R4.467964210 CCC1SCC(N1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4)C(=O)OC 240690a_200025745494_200011912536 [0,1,0,1,0,0|1,0,0]=3 138 B32R4.467964210 COC(=O)C1CCC(N1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4)CO 240690a_217214035824_200011912536 [0,1,0,1,0,0|1,0,0]=3 139 B32R4.850305122 CNC(=O)C1(CCCCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100000741645_200011912536 [0,1,0,1,0,0|2,0,0]=4 140 B32R4.850305122 CNC(=O)C1(CCCCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 1626a_100000741645_200011912536 [0,1,0,1,0,0|2,0,0]=4 141 B32R4.850305122 CNC(=O)C1(CCCCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100000741645_200011912536 [0,1,0,1,0,0|2,0,0]=4 142 B32R4.850305122 CNC(=O)C1(CCCCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100000741645_200011912536 [0,1,0,1,0,0|2,0,0]=4 143 B32R4.850305122 CNC(=O)C1(CCOCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100025771093_200011912536 [0,1,0,1,0,0|1,1,0]=4 144 B32R4.850305122 CNC(=O)C1(CCOCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100025771093_200011912536 [0,1,0,1,0,0|1,1,0]=4 145 B32R4.850305122 CNC(=O)C1(CCOCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100025771093_200011912536 [0,1,0,1,0,0|1,1,0]=4 146 B32R4.850305122 COC(=O)C1(CCCCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 188690a_100000735795_200011912536 [0,1,0,1,0,0|1,0,0]=3 147 B32R4.850305122 COC(=O)C1(CCOCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 188690a_100015194770_200011912536 [0,1,0,1,0,0|0,1,0]=3 148 B32R4.76377740 CCOC(=O)C1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100016990872_200011912536 [0,1,0,1,0,0|1,0,0]=3 149 B32R4.76377740 CCOC(=O)C1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 1626a_100016990872_200011912536 [0,1,0,1,0,0|1,0,0]=3 150 B32R4.76377740 CCOC(=O)C1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100016990872_200011912536 [0,1,0,1,0,0|1,0,0]=3 151 B32R4.76377740 CCOC(=O)C1CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100016990872_200011912536 [0,1,0,1,0,0|1,0,0]=3 152 B32R4.76377740 CCOC(=O)C1CSCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100000735462_200011912536 [0,1,0,1,0,0|2,0,0]=4 153 B32R4.76377740 CCOC(=O)C1CSCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100000735462_200011912536 [0,1,0,1,0,0|2,0,0]=4 154 B32R4.76377740 CCOC(=O)[C@@H]1COCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 11a_100015229691_200011912536 [0,1,0,1,0,0|2,0,0]=4 155 B32R4.76377740 CCOC(=O)[C@@H]1COCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 240690a_100015229691_200011912536 [0,1,0,1,0,0|2,0,0]=4 156 B32R4.76377740 CCOC(=O)[C@@H]1COCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4 527a_100015229691_200011912536 [0,1,0,1,0,0|2,0,0]=4 157 B32R4.797066908 CCOC(=O)C1(CCCC1)NC(=O)c2ccc3ccn(c3c2)Cc4ccccc4 188690a_100000744832_200011912536 [0,1,0,1,0,0|1,0,0]=3 158 B32R4.385649077 COC(=O)C1(CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4)C 11a_100015186357_200011912536 [0,1,0,1,0,0|1,0,0]=3 159 B32R4.385649077 COC(=O)C1(CCCCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4)C 240690a_100015186357_200011912536 [0,1,0,1,0,0|1,0,0]=3 160 B32R4.85118594 COC(=O)C1CC(CCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4)O 240690a_100020629045_200011912536 [0,1,0,1,0,0|1,0,0]=3 161 B32R4.85118594 COC(=O)C1CC(CCN1C(=O)c2ccc3ccn(c3c2)Cc4ccccc4)O 527a_100020629045_200011912536 [0,1,0,1,0,0|1,0,0]=3 162 B28R2.13529349 COC(=O)[C@@H](CCSC)NC(=O)c1ccc(cc1)OCCc2ccccc2 188690a_100020625969_100000396611 [0,0,1,0,1,0|1,0,1]=4 163 B28R3.68042255 CCCC(C(=O)OC)C(=O)c1ccc2ccn(c2c1)Cc3ccccc3 1458a_200011912536_200009843822 [1,0,0,0,1,0|0,0,0]=2 164 B28R3.68042255 COCC(C(=O)OC)C(=O)c1ccc2ccn(c2c1)Cc3ccccc3 1458a_200011912536_100000717350 [1,0,0,0,1,0|0,1,0]=3 165 B28R3.30487246 CCCCC(C(=O)N)C(=O)c1ccc2ccn(c2c1)Cc3ccccc3 1458a_200011912536_100000748834 [1,0,0,0,1,0|2,0,0]=4 166 B30R3.3627762 CCCCC(NC(=O)c1ccc2c(c1)ccn2Cc3ccccc3)C(=O)OC 188690a_100000701681_100000720017 [0,0,0,0,1,1|1,0,0]=3 167 B30R3.3627762 CCCCC(NC(=O)c1ccc2c(c1)ncn2Cc3ccccc3)C(=O)OC 188690a_100000701681_100011241798 [0,0,0,0,1,1|2,0,0]=4 168 B30R3.3627762 COC(=O)[C@@H](CCSC)NC(=O)c1ccc2c(c1)ccn2Cc3ccccc3 188690a_100020625969_100000720017 [0,0,0,0,1,1|0,0,0]=2 169 B30R3.3627762 COC(=O)[C@@H](CCSC)NC(=O)c1ccc2c(c1)ncn2Cc3ccccc3 188690a_100020625969_100011241798 [0,0,0,0,1,1|1,0,0]=3 170 B30R3.3627762 COC(=O)[C@@H](CCSC)NC(=O)c1ccc2c(c1)nnn2Cc3ccccc3 188690a_100020625969_100011228545 [0,0,0,0,1,1|2,0,0]=4