0 B31R4.377571989 O=C(NCCc1ccccc1)C2CCCN(C2)C(=O)c3cccc4c3[nH]cn4 LN00141827_AK00498_SE0045 [1,0,0,0,0,0|2,0,1]=4 1 B31R4.377571989 O=C(NCCc1ccccc1)C2CCCN(C2)C(=O)c3cccc4c3c[nH]n4 LN00141827_AK00498_SE0124 [1,0,0,0,0,0|3,0,0]=4 2 B31R4.377571989 O=C(NCCc1ccccc1)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK00498_SE0996 [1,0,0,0,0,0|2,0,0]=3 3 B31R4.377571989 O=C(NCCc1ccccc1)C2CCCN(C2)C(=O)c3cccc4c3nc[nH]4 LN00141827_AK00498_SE1553 [1,0,0,0,0,0|2,0,1]=4 4 B31R4.377571989 O=C(NCCc1ccccc1)C2CCCN(C2)C(=O)c3cccc4c3scn4 LN00141827_AK00498_SE0498 [1,0,0,0,0,0|3,0,0]=4 5 B31R4.377571989 O=C(NCCc1ccccc1)C2CN(CCN2)C(=O)c3cccc4c3csn4 LN00224454_AK00498_SE0996 [1,0,0,0,0,0|3,0,0]=4 6 B31R4.377571989 O=C(NCCc1ccccc1)C2CN(CCO2)C(=O)c3cccc4c3csn4 LN00001752_AK00498_SE0996 [1,0,0,0,0,0|3,0,0]=4 7 B31R4.377571989 O=C(NCCc1ccccc1)C2CN(CCS2)C(=O)c3cccc4c3csn4 LN00180770_AK00498_SE0996 [1,0,0,0,0,0|3,0,0]=4 8 B31R4.377571989 O=C(NCCc1ccccc1)[C@@H]2CCCN(C2)C(=O)c3cccc4c3[nH]cn4 LN00008404_AK00498_SE0045 [1,0,0,0,0,0|2,0,1]=4 9 B31R4.377571989 O=C(NCCc1ccccc1)[C@@H]2CCCN(C2)C(=O)c3cccc4c3c[nH]n4 LN00008404_AK00498_SE0124 [1,0,0,0,0,0|3,0,0]=4 10 B31R4.377571989 O=C(NCCc1ccccc1)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK00498_SE0996 [1,0,0,0,0,0|2,0,0]=3 11 B31R4.377571989 O=C(NCCc1ccccc1)[C@@H]2CCCN(C2)C(=O)c3cccc4c3nc[nH]4 LN00008404_AK00498_SE1553 [1,0,0,0,0,0|2,0,1]=4 12 B31R4.377571989 O=C(NCCc1ccccc1)[C@@H]2CCCN(C2)C(=O)c3cccc4c3scn4 LN00008404_AK00498_SE0498 [1,0,0,0,0,0|3,0,0]=4 13 B31R4.377571989 O=C(NCCc1ccccc1)[C@@H]2CN(CCO2)C(=O)c3cccc4c3csn4 LN00174600_AK00498_SE0996 [1,0,0,0,0,0|3,0,0]=4 14 B31R4.377571989 O=C(NCCc1ccccc1)[C@H]2CCCN(C2)C(=O)c3cccc4c3[nH]cn4 LN00144816_AK00498_SE0045 [1,0,0,0,0,0|2,0,1]=4 15 B31R4.377571989 O=C(NCCc1ccccc1)[C@H]2CCCN(C2)C(=O)c3cccc4c3c[nH]n4 LN00144816_AK00498_SE0124 [1,0,0,0,0,0|3,0,0]=4 16 B31R4.377571989 O=C(NCCc1ccccc1)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK00498_SE0996 [1,0,0,0,0,0|2,0,0]=3 17 B31R4.377571989 O=C(NCCc1ccccc1)[C@H]2CCCN(C2)C(=O)c3cccc4c3nc[nH]4 LN00144816_AK00498_SE1553 [1,0,0,0,0,0|2,0,1]=4 18 B31R4.377571989 O=C(NCCc1ccccc1)[C@H]2CCCN(C2)C(=O)c3cccc4c3scn4 LN00144816_AK00498_SE0498 [1,0,0,0,0,0|3,0,0]=4 19 B31R4.377571989 O=C(NCCc1ccccc1)[C@H]2CN(CCO2)C(=O)c3cccc4c3csn4 LN00220106_AK00498_SE0996 [1,0,0,0,0,0|3,0,0]=4 20 B31R4.377571989 O=C(NCCc1ccccn1)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK0019_SE0996 [1,0,0,0,0,0|3,0,0]=4 21 B31R4.377571989 O=C(NCCc1ccccn1)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK0019_SE0996 [1,0,0,0,0,0|3,0,0]=4 22 B31R4.377571989 O=C(NCCc1ccccn1)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK0019_SE0996 [1,0,0,0,0,0|3,0,0]=4 23 B31R4.377571989 O=C(NCCc1cccnc1)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK00436_SE0996 [1,0,0,0,0,0|3,0,0]=4 24 B31R4.377571989 O=C(NCCc1cccnc1)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK00436_SE0996 [1,0,0,0,0,0|3,0,0]=4 25 B31R4.377571989 O=C(NCCc1cccnc1)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK00436_SE0996 [1,0,0,0,0,0|3,0,0]=4 26 B31R4.377571989 O=C(NCCc1ccncc1)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK0093_SE0996 [1,0,0,0,0,0|3,0,0]=4 27 B31R4.377571989 O=C(NCCc1ccncc1)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK0093_SE0996 [1,0,0,0,0,0|3,0,0]=4 28 B31R4.377571989 O=C(NCCc1ccncc1)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK0093_SE0996 [1,0,0,0,0,0|3,0,0]=4 29 B32R4.197183776 Cc1cccc(c1)CCNC(=O)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK8219_SE0996 [1,1,0,0,0,0|2,0,0]=4 30 B32R4.197183776 Cc1cccc(c1)CCNC(=O)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK8219_SE0996 [1,1,0,0,0,0|2,0,0]=4 31 B32R4.197183776 Cc1cccc(c1)CCNC(=O)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK8219_SE0996 [1,1,0,0,0,0|2,0,0]=4 32 B32R4.197183776 O=C(NCCc1cccc(c1)Br)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK0800_SE0996 [1,1,0,0,0,0|2,0,0]=4 33 B32R4.197183776 O=C(NCCc1cccc(c1)Br)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK0800_SE0996 [1,1,0,0,0,0|2,0,0]=4 34 B32R4.197183776 O=C(NCCc1cccc(c1)Br)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK0800_SE0996 [1,1,0,0,0,0|2,0,0]=4 35 B32R4.197183776 O=C(NCCc1cccc(c1)Cl)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK0776_SE0996 [1,1,0,0,0,0|2,0,0]=4 36 B32R4.197183776 O=C(NCCc1cccc(c1)Cl)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK0776_SE0996 [1,1,0,0,0,0|2,0,0]=4 37 B32R4.197183776 O=C(NCCc1cccc(c1)Cl)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK0776_SE0996 [1,1,0,0,0,0|2,0,0]=4 38 B32R4.197183776 O=C(NCCc1cccc(c1)F)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK0117_SE0996 [1,1,0,0,0,0|2,0,0]=4 39 B32R4.197183776 O=C(NCCc1cccc(c1)F)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK0117_SE0996 [1,1,0,0,0,0|2,0,0]=4 40 B32R4.197183776 O=C(NCCc1cccc(c1)F)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK0117_SE0996 [1,1,0,0,0,0|2,0,0]=4 41 B32R4.197183776 O=C(NCCc1cccc(c1)O)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK00421_SE0996 [1,1,0,0,0,0|2,0,0]=4 42 B32R4.197183776 O=C(NCCc1cccc(c1)O)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK00421_SE0996 [1,1,0,0,0,0|2,0,0]=4 43 B32R4.197183776 O=C(NCCc1cccc(c1)O)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK00421_SE0996 [1,1,0,0,0,0|2,0,0]=4 44 B32R4.204591695 Cc1ccccc1CCNC(=O)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK0254_SE0996 [1,1,0,0,0,0|2,0,0]=4 45 B32R4.204591695 Cc1ccccc1CCNC(=O)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK0254_SE0996 [1,1,0,0,0,0|2,0,0]=4 46 B32R4.204591695 Cc1ccccc1CCNC(=O)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK0254_SE0996 [1,1,0,0,0,0|2,0,0]=4 47 B32R4.204591695 O=C(NCCc1ccccc1Br)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK0778_SE0996 [1,1,0,0,0,0|2,0,0]=4 48 B32R4.204591695 O=C(NCCc1ccccc1Br)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK0778_SE0996 [1,1,0,0,0,0|2,0,0]=4 49 B32R4.204591695 O=C(NCCc1ccccc1Br)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK0778_SE0996 [1,1,0,0,0,0|2,0,0]=4 50 B32R4.204591695 O=C(NCCc1ccccc1Cl)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK0715_SE0996 [1,1,0,0,0,0|2,0,0]=4 51 B32R4.204591695 O=C(NCCc1ccccc1Cl)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK0715_SE0996 [1,1,0,0,0,0|2,0,0]=4 52 B32R4.204591695 O=C(NCCc1ccccc1Cl)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK0715_SE0996 [1,1,0,0,0,0|2,0,0]=4 53 B32R4.204591695 O=C(NCCc1ccccc1F)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK0118_SE0996 [1,1,0,0,0,0|2,0,0]=4 54 B32R4.204591695 O=C(NCCc1ccccc1F)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK0118_SE0996 [1,1,0,0,0,0|2,0,0]=4 55 B32R4.204591695 O=C(NCCc1ccccc1F)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK0118_SE0996 [1,1,0,0,0,0|2,0,0]=4 56 B32R4.204591695 O=C(NCCc1ccccc1O)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK2884_SE0996 [1,1,0,0,0,0|2,0,0]=4 57 B32R4.204591695 O=C(NCCc1ccccc1O)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK2884_SE0996 [1,1,0,0,0,0|2,0,0]=4 58 B32R4.204591695 O=C(NCCc1ccccc1O)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK2884_SE0996 [1,1,0,0,0,0|2,0,0]=4 59 B32R4.363269871 O=C(NCCc1ccccc1)C2CN(CCC2O)C(=O)c3cccc4c3csn4 LN00002277_AK00498_SE0996 [1,1,0,0,0,0|2,0,0]=4 60 B32R4.363957150 Cc1ccc(cc1)CCNC(=O)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK0066_SE0996 [1,1,0,0,0,0|2,0,0]=4 61 B32R4.363957150 Cc1ccc(cc1)CCNC(=O)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK0066_SE0996 [1,1,0,0,0,0|2,0,0]=4 62 B32R4.363957150 Cc1ccc(cc1)CCNC(=O)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK0066_SE0996 [1,1,0,0,0,0|2,0,0]=4 63 B32R4.363957150 O=C(NCCc1ccc(cc1)Br)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK0745_SE0996 [1,1,0,0,0,0|2,0,0]=4 64 B32R4.363957150 O=C(NCCc1ccc(cc1)Br)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK0745_SE0996 [1,1,0,0,0,0|2,0,0]=4 65 B32R4.363957150 O=C(NCCc1ccc(cc1)Br)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK0745_SE0996 [1,1,0,0,0,0|2,0,0]=4 66 B32R4.363957150 O=C(NCCc1ccc(cc1)Cl)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK1369_SE0996 [1,1,0,0,0,0|2,0,0]=4 67 B32R4.363957150 O=C(NCCc1ccc(cc1)Cl)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK1369_SE0996 [1,1,0,0,0,0|2,0,0]=4 68 B32R4.363957150 O=C(NCCc1ccc(cc1)Cl)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK1369_SE0996 [1,1,0,0,0,0|2,0,0]=4 69 B32R4.363957150 O=C(NCCc1ccc(cc1)F)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK0123_SE0996 [1,1,0,0,0,0|2,0,0]=4 70 B32R4.363957150 O=C(NCCc1ccc(cc1)F)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK0123_SE0996 [1,1,0,0,0,0|2,0,0]=4 71 B32R4.363957150 O=C(NCCc1ccc(cc1)F)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK0123_SE0996 [1,1,0,0,0,0|2,0,0]=4 72 B32R4.363957150 O=C(NCCc1ccc(cc1)O)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK0748_SE0996 [1,1,0,0,0,0|2,0,0]=4 73 B32R4.363957150 O=C(NCCc1ccc(cc1)O)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK0748_SE0996 [1,1,0,0,0,0|2,0,0]=4 74 B32R4.363957150 O=C(NCCc1ccc(cc1)O)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK0748_SE0996 [1,1,0,0,0,0|2,0,0]=4 75 B32R4.480150667 O=C(NCCc1ccccc1)C2CC(CN(C2)C(=O)c3cccc4c3csn4)F LN00002540_AK00498_SE0996 [1,1,0,0,0,0|2,0,0]=4 76 B32R4.721623804 CC(CNC(=O)C1CCCN(C1)C(=O)c2cccc3c2csn3)c4ccccc4 LN00141827_AK00546_SE0996 [1,1,0,0,0,0|2,0,0]=4 77 B32R4.721623804 CC(CNC(=O)[C@@H]1CCCN(C1)C(=O)c2cccc3c2csn3)c4ccccc4 LN00008404_AK00546_SE0996 [1,1,0,0,0,0|2,0,0]=4 78 B32R4.721623804 CC(CNC(=O)[C@H]1CCCN(C1)C(=O)c2cccc3c2csn3)c4ccccc4 LN00144816_AK00546_SE0996 [1,1,0,0,0,0|2,0,0]=4 79 B32R4.721623804 C[C@H](CNC(=O)C1CCCN(C1)C(=O)c2cccc3c2csn3)c4ccccc4 LN00141827_AK00506_SE0996 [1,1,0,0,0,0|2,0,0]=4 80 B32R4.721623804 C[C@H](CNC(=O)[C@@H]1CCCN(C1)C(=O)c2cccc3c2csn3)c4ccccc4 LN00008404_AK00506_SE0996 [1,1,0,0,0,0|2,0,0]=4 81 B32R4.721623804 C[C@H](CNC(=O)[C@H]1CCCN(C1)C(=O)c2cccc3c2csn3)c4ccccc4 LN00144816_AK00506_SE0996 [1,1,0,0,0,0|2,0,0]=4 82 B32R4.721623804 O=C(NCC(O)c1ccccc1)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK0051_SE0996 [1,1,0,0,0,0|2,0,0]=4 83 B32R4.721623804 O=C(NCC(O)c1ccccc1)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK0051_SE0996 [1,1,0,0,0,0|2,0,0]=4 84 B32R4.721623804 O=C(NCC(O)c1ccccc1)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK0051_SE0996 [1,1,0,0,0,0|2,0,0]=4 85 B32R4.2032443929 CC1(CCCN(C1)C(=O)c2cccc3c2csn3)C(=O)NCCc4ccccc4 LN00168411_AK00498_SE0996 [1,1,0,0,0,0|2,0,0]=4 86 B32R5.468522939 O=C(c1cccc2c1csn2)N3CC4CC4(C3)C(=O)NCCc5ccccc5 LN02056292_AK00498_SE0996 [1,0,0,1,0,0|2,0,0]=4 87 B30R4.80932366 O=C(NCc1ccccc1)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK00502_SE0996 [1,0,0,0,1,0|2,0,0]=4 88 B30R4.80932366 O=C(NCc1ccccc1)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK00502_SE0996 [1,0,0,0,1,0|2,0,0]=4 89 B30R4.80932366 O=C(NCc1ccccc1)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK00502_SE0996 [1,0,0,0,1,0|2,0,0]=4 90 B30R4.250108954 O=C(NCCc1ccccc1)C2CCCN2C(=O)c3cccc4c3csn4 LN00142236_AK00498_SE0996 [1,0,0,0,1,0|2,0,0]=4 91 B30R4.250108954 O=C(NCCc1ccccc1)[C@H]2CCCN2C(=O)c3cccc4c3csn4 LN00008660_AK00498_SE0996 [1,0,0,0,1,0|2,0,0]=4 92 B30R4.250116057 O=C(NCCc1ccccc1)C2CCN(C2)C(=O)c3cccc4c3csn4 LN00002822_AK00498_SE0996 [1,0,0,0,1,0|2,0,0]=4 93 B30R4.250116057 O=C(NCCc1ccccc1)[C@@H]2CCN(C2)C(=O)c3cccc4c3csn4 LN00002605_AK00498_SE0996 [1,0,0,0,1,0|2,0,0]=4 94 B30R4.250116057 O=C(NCCc1ccccc1)[C@H]2CCN(C2)C(=O)c3cccc4c3csn4 LN00002727_AK00498_SE0996 [1,0,0,0,1,0|2,0,0]=4 95 B32R4.64484028 O=C(NCCc1ccccc1)C2CCCN(C2)C(=O)c3cccc4c3nccn4 LN00141827_AK00498_SE0416 [1,0,0,0,0,1|2,0,0]=4 96 B32R4.64484028 O=C(NCCc1ccccc1)[C@@H]2CCCN(C2)C(=O)c3cccc4c3nccn4 LN00008404_AK00498_SE0416 [1,0,0,0,0,1|2,0,0]=4 97 B32R4.64484028 O=C(NCCc1ccccc1)[C@H]2CCCN(C2)C(=O)c3cccc4c3nccn4 LN00144816_AK00498_SE0416 [1,0,0,0,0,1|2,0,0]=4 98 B32R4.305962575 O=C(NCCCc1ccccc1)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK0074_SE0996 [1,0,0,0,0,1|2,0,0]=4 99 B32R4.305962575 O=C(NCCCc1ccccc1)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK0074_SE0996 [1,0,0,0,0,1|2,0,0]=4 100 B32R4.305962575 O=C(NCCCc1ccccc1)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK0074_SE0996 [1,0,0,0,0,1|2,0,0]=4 101 B32R4.305962575 O=C(NCCOc1ccccc1)C2CCCN(C2)C(=O)c3cccc4c3csn4 LN00141827_AK0103_SE0996 [1,0,0,0,0,1|2,0,0]=4 102 B32R4.305962575 O=C(NCCOc1ccccc1)[C@@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00008404_AK0103_SE0996 [1,0,0,0,0,1|2,0,0]=4 103 B32R4.305962575 O=C(NCCOc1ccccc1)[C@H]2CCCN(C2)C(=O)c3cccc4c3csn4 LN00144816_AK0103_SE0996 [1,0,0,0,0,1|2,0,0]=4 104 B32R4.722596747 O=C(C[C@H]1CCCN(C1)C(=O)c2cccc3c2csn3)NCCc4ccccc4 LN01358094_AK00498_SE0996 [1,0,0,0,0,1|2,0,0]=4 105 B32R4.1217368532 O=C(NCCc1ccccc1)C2CCCN(CC2)C(=O)c3cccc4c3csn4 LN00002753_AK00498_SE0996 [1,0,0,0,0,1|2,0,0]=4