0 B31R3.15664417 O=C(NC(C(=O)NCCc1ccccc1)c2ccccc2)OCc3ccccc3 11a_100000106460_100000758230 [1,0,0,0,1,0|1,0,1]=4 1 B31R3.15664417 O=C(NC(C(=O)NCCc1ccccc1)c2ccccc2)OCc3ccccc3 1626a_100000106460_100000758230 [1,0,0,0,1,0|1,0,1]=4 2 B31R3.15664417 O=C(NC(C(=O)NCCc1ccccc1)c2ccccc2)OCc3ccccc3 240690a_100000106460_100000758230 [1,0,0,0,1,0|1,0,1]=4 3 B31R3.15664417 O=C(NC(C(=O)NCCc1ccccc1)c2ccccc2)OCc3ccccc3 527a_100000106460_100000758230 [1,0,0,0,1,0|1,0,1]=4 4 B31R3.15664417 O=C(NC(C(=O)NNCc1ccccc1)c2ccccc2)OCc3ccccc3 22a_100000007032_100000758230 [1,0,0,0,1,0|0,0,1]=3 5 B31R3.15664417 O=C(NC(C(=O)NNCc1ccccn1)c2ccccc2)OCc3ccccc3 22a_100000736832_100000758230 [1,0,0,0,1,0|1,0,1]=4 6 B31R3.15664417 O=C(NC(C(=O)NNCc1cccnc1)c2ccccc2)OCc3ccccc3 22a_100000738295_100000758230 [1,0,0,0,1,0|1,0,1]=4 7 B31R3.15664417 O=C(NC(C(=O)NNCc1ccncc1)c2ccccc2)OCc3ccccc3 22a_100000736929_100000758230 [1,0,0,0,1,0|1,0,1]=4 8 B31R3.15664434 O=C(/C=C/c1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NNc3ccccc3 22a_100015195140_200015368390 [1,0,0,0,1,0|1,0,1]=4 9 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)CCc2ccccc2)OCc3ccccc3 1458a_100011417444_100000765856 [1,0,0,0,1,0|1,0,1]=4 10 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)COc2ccccc2)OCc3ccccc3 7a_100000210340_200009827672 [1,0,0,0,1,0|2,0,0]=4 11 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)CSc2ccccc2)OCc3ccccc3 62a_100000719477_200009827672 [1,0,0,0,1,0|2,0,0]=4 12 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)CSc2ccccc2)OCc3ccccc3 62a_200009827672_100000041952 [1,0,0,0,1,0|2,0,0]=4 13 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NCc2ccccc2)OCc3ccccc3 1626a_100015324214_100011417444 [1,0,0,0,1,0|0,0,1]=3 14 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NCc2ccccc2)OCc3ccccc3 240690a_100015324214_100011417444 [1,0,0,0,1,0|0,0,1]=3 15 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NCc2ccccc2)OCc3ccccc3 527a_100015324214_100011417444 [1,0,0,0,1,0|0,0,1]=3 16 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NCc2ccccn2)OCc3ccccc3 1626a_100000210449_100011417444 [1,0,0,0,1,0|1,0,1]=4 17 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NCc2ccccn2)OCc3ccccc3 240690a_100000210449_100011417444 [1,0,0,0,1,0|1,0,1]=4 18 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NCc2ccccn2)OCc3ccccc3 527a_100000210449_100011417444 [1,0,0,0,1,0|1,0,1]=4 19 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NCc2cccnc2)OCc3ccccc3 240690a_100000210453_100011417444 [1,0,0,0,1,0|1,0,1]=4 20 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NCc2cccnc2)OCc3ccccc3 527a_100000210453_100011417444 [1,0,0,0,1,0|1,0,1]=4 21 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NCc2ccncc2)OCc3ccccc3 1626a_100000210450_100011417444 [1,0,0,0,1,0|1,0,1]=4 22 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NCc2ccncc2)OCc3ccccc3 240690a_100000210450_100011417444 [1,0,0,0,1,0|1,0,1]=4 23 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NCc2ccncc2)OCc3ccccc3 527a_100000210450_100011417444 [1,0,0,0,1,0|1,0,1]=4 24 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NNc2ccccc2)OCc3ccccc3 22a_100015195140_100011417444 [1,0,0,0,1,0|0,0,0]=2 25 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NNc2ccccn2)OCc3ccccc3 22a_100000183288_100011417444 [1,0,0,0,1,0|1,0,0]=3 26 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NNc2cccnc2)OCc3ccccc3 22a_100000728903_100011417444 [1,0,0,0,1,0|1,0,0]=3 27 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NNc2cccnn2)OCc3ccccc3 22a_100000757824_100011417444 [1,0,0,0,1,0|2,0,0]=4 28 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NNc2ccncc2)OCc3ccccc3 22a_100000698918_100011417444 [1,0,0,0,1,0|1,0,0]=3 29 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NNc2ccncn2)OCc3ccccc3 22a_100011438088_100011417444 [1,0,0,0,1,0|2,0,0]=4 30 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NNc2cnccn2)OCc3ccccc3 22a_100000736894_100011417444 [1,0,0,0,1,0|2,0,0]=4 31 B31R3.15664434 O=C(N[C@@H](Cc1ccccc1)C(=O)NNc2ncccn2)OCc3ccccc3 22a_100000736892_100011417444 [1,0,0,0,1,0|2,0,0]=4 32 B31R3.108161298 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)C/C=C/c3ccccc3 1458a_200000093917_100016265936 [1,0,0,0,1,0|2,0,0]=4 33 B31R3.108161298 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NCCc3ccccc3 11a_100000106460_200000093917 [1,0,0,0,1,0|1,0,1]=4 34 B31R3.108161298 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NCCc3ccccc3 240690a_100000106460_200000093917 [1,0,0,0,1,0|1,0,1]=4 35 B31R3.108161298 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NCCc3ccccc3 527a_100000106460_200000093917 [1,0,0,0,1,0|1,0,1]=4 36 B31R3.108161298 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NNCc3ccccc3 22a_100000007032_200000093917 [1,0,0,0,1,0|0,0,1]=3 37 B31R3.108161298 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NNCc3ccccn3 22a_100000736832_200000093917 [1,0,0,0,1,0|1,0,1]=4 38 B31R3.108161298 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NNCc3cccnc3 22a_100000738295_200000093917 [1,0,0,0,1,0|1,0,1]=4 39 B31R3.108161298 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NNCc3ccncc3 22a_100000736929_200000093917 [1,0,0,0,1,0|1,0,1]=4 40 B31R3.7975221 C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc2ccccc2)c3ccccc3 11a_100000751104_200000093917 [0,0,0,0,2,0|1,0,1]=4 41 B31R3.7975221 C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc2ccccc2)c3ccccc3 240690a_100000751104_200000093917 [0,0,0,0,2,0|1,0,1]=4 42 B31R3.7975221 C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc2ccccc2)c3ccccc3 527a_100000751104_200000093917 [0,0,0,0,2,0|1,0,1]=4 43 B31R3.7975221 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)CC(=O)c3ccccc3 1458a_200000093917_100000211460 [0,0,0,0,2,0|1,0,0]=3 44 B31R3.7975221 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)CC(=O)c3ccccn3 1458a_200000093917_100000027445 [0,0,0,0,2,0|2,0,0]=4 45 B31R3.7975221 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)CC(=O)c3cccnc3 1458a_200000093917_100015188593 [0,0,0,0,2,0|2,0,0]=4 46 B31R3.7975221 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)CC(=O)c3ccncc3 1458a_200000093917_100000027454 [0,0,0,0,2,0|2,0,0]=4 47 B31R3.15663103 O=C(N[C@@H](Cc1ccccc1)C(=O)CC(=O)c2ccc[nH]2)OCc3ccccc3 1458a_100011417444_200011262396 [0,0,0,0,2,0|2,0,0]=4 48 B31R3.15663103 O=C(N[C@@H](Cc1ccccc1)C(=O)CC(=O)c2ccco2)OCc3ccccc3 1458a_100011417444_100000211439 [0,0,0,0,2,0|2,0,0]=4 49 B31R3.15663103 O=C(N[C@@H](Cc1ccccc1)C(=O)CC(=O)c2cccs2)OCc3ccccc3 1458a_100011417444_100000211436 [0,0,0,0,2,0|2,0,0]=4 50 B31R3.15663103 O=C(N[C@@H](Cc1ccccc1)C(=O)CC(=O)c2ccsc2)OCc3ccccc3 1458a_100011417444_100011219462 [0,0,0,0,2,0|2,0,0]=4 51 B31R3.15664412 C[C@@H](NC(=O)C(NC(=O)OCc1ccccc1)c2ccccc2)c3ccccc3 11a_100000751104_100000758230 [0,0,0,0,2,0|1,0,1]=4 52 B31R3.15664412 C[C@@H](NC(=O)C(NC(=O)OCc1ccccc1)c2ccccc2)c3ccccc3 1626a_100000751104_100000758230 [0,0,0,0,2,0|1,0,1]=4 53 B31R3.15664412 C[C@@H](NC(=O)C(NC(=O)OCc1ccccc1)c2ccccc2)c3ccccc3 240690a_100000751104_100000758230 [0,0,0,0,2,0|1,0,1]=4 54 B31R3.15664412 C[C@@H](NC(=O)C(NC(=O)OCc1ccccc1)c2ccccc2)c3ccccc3 527a_100000751104_100000758230 [0,0,0,0,2,0|1,0,1]=4 55 B31R3.15664412 O=C(NC(C(=O)CC(=O)c1ccccc1)c2ccccc2)OCc3ccccc3 1458a_100000758230_100000211460 [0,0,0,0,2,0|1,0,0]=3 56 B31R3.15664412 O=C(NC(C(=O)CC(=O)c1ccccn1)c2ccccc2)OCc3ccccc3 1458a_100000758230_100000027445 [0,0,0,0,2,0|2,0,0]=4 57 B31R3.15664412 O=C(NC(C(=O)CC(=O)c1cccnc1)c2ccccc2)OCc3ccccc3 1458a_100000758230_100015188593 [0,0,0,0,2,0|2,0,0]=4 58 B31R3.15664412 O=C(NC(C(=O)CC(=O)c1ccncc1)c2ccccc2)OCc3ccccc3 1458a_100000758230_100000027454 [0,0,0,0,2,0|2,0,0]=4 59 B31R3.15664433 CC(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)c3ccccc3 1458a_100011417444_100000230085 [0,0,0,0,2,0|1,0,1]=4 60 B31R3.15664433 CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)c3ccccc3 1626a_100000210012_100011417444 [0,0,0,0,2,0|2,0,0]=4 61 B31R3.15664433 CN(C(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)c3ccccc3 22a_100000210012_100011417444 [0,0,0,0,2,0|2,0,0]=4 62 B31R3.15664414 O=C(NC(C(=O)NNC(=O)c1cc[nH]n1)c2ccccc2)OCc3ccccc3 22a_100011273208_100000758230 [0,0,0,0,2,0|2,0,0]=4 63 B31R3.15664414 O=C(NC(C(=O)NNC(=O)c1ccc[nH]1)c2ccccc2)OCc3ccccc3 22a_100000018271_100000758230 [0,0,0,0,2,0|1,0,0]=3 64 B31R3.15664414 O=C(NC(C(=O)NNC(=O)c1ccco1)c2ccccc2)OCc3ccccc3 22a_100000185077_100000758230 [0,0,0,0,2,0|1,0,0]=3 65 B31R3.15664414 O=C(NC(C(=O)NNC(=O)c1cccs1)c2ccccc2)OCc3ccccc3 22a_100000184746_100000758230 [0,0,0,0,2,0|1,0,0]=3 66 B31R3.15664414 O=C(NC(C(=O)NNC(=O)c1ccoc1)c2ccccc2)OCc3ccccc3 22a_100000233958_100000758230 [0,0,0,0,2,0|1,0,0]=3 67 B31R3.15664414 O=C(NC(C(=O)NNC(=O)c1ccsc1)c2ccccc2)OCc3ccccc3 22a_100000193922_100000758230 [0,0,0,0,2,0|1,0,0]=3 68 B31R3.15664414 O=C(NC(C(=O)NNC(=O)c1cn[nH]c1)c2ccccc2)OCc3ccccc3 22a_100011317056_100000758230 [0,0,0,0,2,0|2,0,0]=4 69 B31R3.15664414 O=C(NC(C(=O)NNC(=O)c1cncs1)c2ccccc2)OCc3ccccc3 22a_200000241815_100000758230 [0,0,0,0,2,0|2,0,0]=4 70 B31R3.15664414 O=C(NC(C(=O)NNC(=O)c1cscn1)c2ccccc2)OCc3ccccc3 22a_100011794543_100000758230 [0,0,0,0,2,0|2,0,0]=4 71 B31R3.15664414 O=C(NC(C(=O)NNC(=O)c1nccs1)c2ccccc2)OCc3ccccc3 22a_100000077877_100000758230 [0,0,0,0,2,0|2,0,0]=4 72 B31R3.15680612 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)c3cc[nH]n3 22a_100011273208_200000093917 [0,0,0,0,2,0|2,0,0]=4 73 B31R3.15680612 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)c3ccc[nH]3 22a_100000018271_200000093917 [0,0,0,0,2,0|1,0,0]=3 74 B31R3.15680612 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)c3ccco3 22a_100000185077_200000093917 [0,0,0,0,2,0|1,0,0]=3 75 B31R3.15680612 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)c3cccs3 22a_100000184746_200000093917 [0,0,0,0,2,0|1,0,0]=3 76 B31R3.15680612 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)c3ccoc3 22a_100000233958_200000093917 [0,0,0,0,2,0|1,0,0]=3 77 B31R3.15680612 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)c3ccsc3 22a_100000193922_200000093917 [0,0,0,0,2,0|1,0,0]=3 78 B31R3.15680612 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)c3cn[nH]c3 22a_100011317056_200000093917 [0,0,0,0,2,0|2,0,0]=4 79 B31R3.15680612 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)c3cncs3 22a_200000241815_200000093917 [0,0,0,0,2,0|2,0,0]=4 80 B31R3.15680612 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)c3cscn3 22a_100011794543_200000093917 [0,0,0,0,2,0|2,0,0]=4 81 B31R3.15680612 O=C(Cc1ccccc1)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)c3nccs3 22a_100000077877_200000093917 [0,0,0,0,2,0|2,0,0]=4 82 B31R3.42199277 O=C(CCC(=O)C(C(=O)OCc1ccccc1)c2ccccc2)c3ccccc3 1458a_200000034776_100000750707 [0,0,0,0,2,0|2,0,0]=4 83 B31R3.42199277 O=C(NCC(=O)C(C(=O)NCc1ccccc1)c2ccccc2)c3ccccc3 1458a_100000182045_100015194907 [0,0,0,0,2,0|2,0,0]=4 84 B31R3.42199277 O=C(NNC(=O)C(C(=O)OCc1ccccc1)c2ccccc2)c3ccccc3 22a_100000184135_200000034776 [0,0,0,0,2,0|0,0,0]=2 85 B31R3.42199277 O=C(NNC(=O)C(C(=O)OCc1ccccc1)c2ccccc2)c3ccccn3 22a_100000184044_200000034776 [0,0,0,0,2,0|1,0,0]=3 86 B31R3.42199277 O=C(NNC(=O)C(C(=O)OCc1ccccc1)c2ccccc2)c3cccnc3 22a_100000189771_200000034776 [0,0,0,0,2,0|1,0,0]=3 87 B31R3.42199277 O=C(NNC(=O)C(C(=O)OCc1ccccc1)c2ccccc2)c3ccncc3 22a_100000189768_200000034776 [0,0,0,0,2,0|1,0,0]=3 88 B31R3.42199277 O=C(NNC(=O)C(C(=O)OCc1ccccc1)c2ccccc2)c3ccncn3 22a_100000084330_200000034776 [0,0,0,0,2,0|2,0,0]=4 89 B31R3.42199277 O=C(OCC(=O)C(C(=O)OCc1ccccc1)c2ccccc2)c3ccccc3 1458a_200000034776_100000073877 [0,0,0,0,2,0|2,0,0]=4 90 B31R3.15680649 O=C(CCC(=O)C(Cc1ccccc1)NC(=O)c2ccccc2)c3ccccc3 1458a_100015271032_100000750707 [0,0,0,0,2,0|2,0,0]=4 91 B31R3.15680649 O=C(NC(Cc1ccccc1)C(=O)COC(=O)c2ccccc2)c3ccccc3 1458a_100015271032_100000073877 [0,0,0,0,2,0|2,0,0]=4 92 B31R3.15680649 O=C(NC(Cc1ccccc1)C(=O)NNC(=O)c2ccccn2)c3ccccc3 22a_100000184044_100015271032 [0,0,0,0,2,0|1,0,0]=3 93 B31R3.15680649 O=C(NC(Cc1ccccc1)C(=O)NNC(=O)c2ccncn2)c3ccccc3 22a_100000084330_100015271032 [0,0,0,0,2,0|2,0,0]=4 94 B31R3.15680649 O=C(NNC(=O)C(Cc1ccccc1)NC(=O)c2ccccc2)c3ccccc3 22a_100000184135_100015271032 [0,0,0,0,2,0|0,0,0]=2 95 B31R3.15680649 O=C(NNC(=O)C(Cc1ccccc1)NC(=O)c2ccccc2)c3cccnc3 22a_100000189771_100015271032 [0,0,0,0,2,0|1,0,0]=3 96 B31R3.15680649 O=C(NNC(=O)C(Cc1ccccc1)NC(=O)c2ccccc2)c3ccncc3 22a_100000189768_100015271032 [0,0,0,0,2,0|1,0,0]=3 97 B31R3.15680649 O=C(NNC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)c3ccccc3 22a_100000184135_100015188599 [0,0,0,0,2,0|2,0,0]=4